Version2.1 2020-12-16T12:24:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](C(=O)OCc1ccccc1)N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@@H]4CN3C2(C)C C52636794 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](C(=O)OCc1ccccc1)N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@@H]4CN3C2(C)C C01[X(C27H32N3O3)] 189 C1 559 CC([C@H](N1C(=O)[C@H]2N(C1(C)C)C[C@@H]1C(=c3ccccc3=[NH+]1)C2)C(=O)OCc1ccccc1)C CC([C@H](N1C(=O)[C@H]2N(C1(C)C)C[C@@H]1C(=c3ccccc3=[NH+]1)C2)C(=O)OCc1ccccc1)C CC(C)[C@H](N1C(=O)[C@@H]2CC3=C4C=CC=CC4=[NH+][C@@H]3CN2C1(C)C)C(=O)OCc5ccccc5 InChIKey=UFSVKVUBCJYZJI-SGNDLWITSA-O InChI=1S/C27H31N3O3/c1-17(2)24(26(32)33-16-18-10-6-5-7-11-18)30-25(31)23-14-20-19-12-8-9-13-21(19)28-22(20)15-29(23)27(30,3)4/h5-13,17,22-24H,14-16H2,1-4H3/p+1/t22-,23+,24+/m1/s1 InChI=1/C27H31N3O3/c1-17(2)24(26(32)33-16-18-10-6-5-7-11-18)30-25(31)23-14-20-19-12-8-9-13-21(19)28-22(20)15-29(23)27(30,3)4/h5-13,17,22-24H,14-16H2,1-4H3/p+1/t22-,23+,24+/m1/s1/fC27H32N3O3/h28H/q+1 CC(C)[C@@H](C(=O)OCc1ccccc1)N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@@H]4CN3C2(C)C C01[X(C27H32N3O3)] 189 C01 559 CC([C@H](N1C(=O)[C@H]2N(C1(C)C)C[C@@H]1C(=c3ccccc3=[NH+]1)C2)C(=O)OCc1ccccc1)C CC([C@H](N1C(=O)[C@H]2[N@](C1(C)C)C[C@@H]1C(=[C]3[CH]=[CH][CH]=[CH][C]3[NH]1)C2)C(=O)OC[C]1[CH][CH][CH][CH][CH]1)C CC(C)[C@H](N1C(=O)[C@@H]2CC3=C4C=CC=C[C]4N[C@@H]3CN2C1(C)C)C(=O)OC[C]5[CH][CH][CH][CH][CH]5 InChIKey=ZYGDHGFRERXBKM-SGNDLWITSA-N InChI=1S/C27H32N3O3/c1-17(2)24(26(32)33-16-18-10-6-5-7-11-18)30-25(31)23-14-20-19-12-8-9-13-21(19)28-22(20)15-29(23)27(30,3)4/h5-13,17,22-24,28H,14-16H2,1-4H3/t22-,23+,24+/m1/s1 InChI=1/C27H32N3O3/c1-17(2)24(26(32)33-16-18-10-6-5-7-11-18)30-25(31)23-14-20-19-12-8-9-13-21(19)28-22(20)15-29(23)27(30,3)4/h5-13,17,22-24,28H,14-16H2,1-4H3/t22-,23+,24+/m1/s1 3424.0539143937 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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| 10.3720 12.5678 13.9490 31.2574 38.8529 52.7117 57.1417 76.2212 88.3996 103.6494 114.7044 123.3591 138.2016 151.3123 164.5063 182.0129 202.0547 213.1418 235.5124 240.1881 245.9941 256.8106 279.2322 281.4943 295.5652 312.5659 323.7145 335.1689 352.2630 359.6824 365.1965 380.2728 404.2081 436.2460 440.9964 454.8463 470.7409 474.5544 491.4522 505.4619 522.7399 540.5158 552.9060 563.5488 575.1786 584.4167 610.6975 627.4398 632.7580 648.1279 667.1987 680.6357 684.0802 712.0299 742.9589 776.4011 776.7770 786.5660 831.2447 841.5296 847.2428 857.0254 858.8837 921.3895 933.6548 938.1794 952.3490 958.2149 968.0949 982.2553 1008.1305 1010.4296 1018.6969 1029.3468 1044.1723 1051.2008 1056.1167 1061.5912 1066.2913 1083.8835 1091.9444 1098.6253 1102.4713 1110.4631 1111.2032 1122.1111 1130.8224 1133.7399 1141.8623 1157.3503 1159.3845 1177.5869 1184.0116 1186.3127 1213.4220 1221.7346 1234.2002 1245.5905 1253.7384 1262.4690 1271.5926 1290.9105 1302.5109 1303.7351 1319.2387 1323.7973 1331.4829 1335.6669 1338.3035 1350.9891 1357.7251 1368.3871 1383.4323 1391.8511 1395.4802 1412.7624 1420.5810 1442.6910 1465.5212 1473.6974 1476.3082 1487.0252 1499.6035 1516.0447 1523.6834 1525.0508 1532.3097 1548.2423 1559.4239 1561.2508 1564.9806 1569.9692 1580.7534 1583.6336 1590.2522 1601.3212 1605.7110 1622.7876 1622.9477 1624.2113 1632.9805 1639.6656 1645.3286 1649.5332 1651.0097 1655.2233 1662.6510 1666.4401 1675.0716 1675.1424 1741.4791 1758.1923 1789.0492 1815.2933 1840.2226 1971.7598 1989.0881 3140.5593 3188.4407 3196.3406 3211.9115 3214.9175 3218.6937 3228.8358 3229.5223 3258.6552 3262.1814 3267.4437 3276.7631 3280.4673 3284.1118 3286.1738 3287.1711 3291.0430 3298.0318 3306.7082 3330.6822 3331.6512 3344.0796 3355.2501 3357.2482 3370.4110 3382.0149 3389.2793 3393.6602 3400.9038 3408.6978 3418.9841 3871.5920 4.9223 4.9390 4.3137 4.5566 4.1876 4.4931 5.6106 3.1077 3.2236 4.0391 3.7742 4.9416 5.0009 4.3411 5.5065 2.8134 4.5174 3.4934 1.5900 1.6837 3.4976 4.3096 1.7577 1.2044 3.7379 1.9607 3.1796 1.0660 3.3026 2.6877 2.6011 2.9708 3.6337 2.9849 3.3755 2.9004 3.3224 2.0060 2.7935 2.7122 3.9576 2.3036 2.6865 3.4398 4.6267 4.5331 4.8784 4.2964 4.7004 4.6584 3.7579 6.2733 3.9849 5.1255 3.8058 2.1899 3.4102 3.6268 3.0428 3.1673 1.9356 2.1136 2.3511 4.1996 4.1577 2.4613 1.4999 1.2475 3.4745 3.2611 2.0428 1.9383 1.3624 1.9018 1.5631 1.7351 2.0628 2.3253 1.7730 3.6474 6.0624 3.4493 1.3677 1.6273 1.9305 1.3166 2.2242 1.3446 3.9234 1.4941 2.5684 2.6048 1.8354 2.2281 2.1808 2.2320 1.8108 2.3671 2.2893 1.5321 2.2200 1.2140 1.2182 1.6367 1.8301 1.8319 2.7663 2.4683 1.5322 1.6328 2.0894 1.4664 1.6649 1.5860 1.1687 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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 7252.0456 29718.3368 33747.8912 1.00000 -0.00228 0.00181 0.00227 0.99997 0.00729 -0.00182 -0.00729 0.99997 1 0.01194 0.00291 0.00257 0.24886 0.06073 0.05348 14.92 18.08 20.07 44.97 55.90 75.84 82.21 109.67 127.19 149.13 165.03 177.49 198.84 217.70 236.69 261.88 290.71 306.66 338.85 345.58 353.93 369.49 401.75 405.01 425.25 449.71 465.75 482.23 506.83 517.50 525.44 547.13 581.57 627.66 634.50 654.42 677.29 682.78 707.09 727.25 752.11 777.68 795.51 810.82 827.55 840.85 878.66 902.75 910.40 932.51 959.95 979.28 984.24 1024.45 1068.95 1117.07 1117.61 1131.69 1195.98 1210.77 1218.99 1233.07 1235.74 1325.67 1343.32 1349.83 1370.22 1378.66 1392.87 1413.25 1450.47 1453.78 1465.68 1481.00 1502.33 1512.44 1519.52 1527.39 1534.16 1559.47 1571.06 1580.68 1586.21 1597.71 1598.77 1614.47 1627.00 1631.20 1642.89 1665.17 1668.10 1694.28 1703.53 1706.84 1745.84 1757.80 1775.74 1792.13 1803.85 1816.41 1829.54 1857.33 1874.02 1875.78 1898.09 1904.65 1915.71 1921.73 1925.52 1943.77 1953.46 1968.80 1990.45 2002.56 2007.78 2032.65 2043.90 2075.71 2108.56 2120.32 2124.08 2139.50 2157.59 2181.25 2192.24 2194.21 2204.65 2227.58 2243.66 2246.29 2251.66 2258.84 2274.35 2278.50 2288.02 2303.94 2310.26 2334.83 2335.06 2336.88 2349.49 2359.11 2367.26 2373.31 2375.43 2381.50 2392.18 2397.64 2410.05 2410.16 2505.60 2529.65 2574.04 2611.80 2647.67 2836.92 2861.85 4518.56 4587.46 4598.82 4621.22 4625.55 4630.98 4645.57 4646.56 4688.48 4693.55 4701.12 4714.53 4719.86 4725.10 4728.07 4729.51 4735.08 4745.13 4757.62 4792.11 4793.50 4811.38 4827.46 4830.33 4849.27 4865.97 4876.42 4882.72 4893.14 4904.36 4919.16 5570.36 0.592499 0.620794 0.621738 0.529799 -1428.245544 -1428.217249 -1428.216305 -1428.308244 3.083649D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE CC(C)[C@@H](C(=O)OCc1ccccc1)N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@@H]4CN3C2(C)C C52636794 RHF 6-31G(d) (6D,10F) C1 446.244367 |X|Y|Z| 57.590813 32.978368 123.116330 61.607371 26 6 7 8 22 3 1 |36.858105| |12.404362|36.858105| |7.633473|12.438897|36.858105| |7.491932|12.200355|7.387179|36.858105| |7.493659|8.878719|6.291316|17.590516|0.500000| |5.740292|7.322783|4.870039|12.369552|0.251210|36.858105| |4.235108|5.207291|3.962382|7.906946|0.181516|15.990677|73.516695| |6.311144|6.770056|4.405687|8.015126|0.191859|14.549472|15.342403|73.516695| |4.398971|4.528170|3.336921|5.113402|0.129864|8.097330|12.737364|23.564136|36.858105| |4.194555|3.948754|3.008338|4.023338|0.106042|5.279343|8.208414|14.221543|12.672686|36.858105| |3.963176|3.766325|2.950723|3.577443|0.091996|4.378286|6.854857|10.771938|7.589991|13.704807|36.858105| |3.439881|3.150675|2.582838|2.936453|0.077523|3.381982|5.388718|7.746009|5.033178|7.911089|13.768754|36.858105| |3.182356|2.829055|2.350461|2.693581|0.073348|3.060974|4.922333|6.882984|4.445232|6.846887|7.940150|13.735414|36.858105| |3.296485|2.901785|2.377718|2.866544|0.079822|3.321712|5.352526|7.565979|5.028848|7.909495|6.880919|7.941381|13.759653|36.858105| |3.751104|3.363759|2.656957|3.455694|0.095971|4.253485|6.785433|10.315603|7.585253|13.728897|7.954434|6.882752|7.941377|13.743574|36.858105| |4.998997|7.467596|6.642513|13.086219|0.258365|7.883926|12.627277|9.463530|4.004199|3.202036|2.925800|2.459269|2.264035|2.382870|2.801231|53.358707| |4.136501|6.076894|5.786669|7.855467|0.161134|6.480931|11.516761|8.325747|3.762431|3.025328|2.856188|2.395323|2.165597|2.234757|2.596295|19.273926|36.858105| |4.140164|6.133788|5.632072|6.748264|0.137123|6.266972|10.809175|8.661361|3.983171|3.226652|3.147007|2.603474|2.296091|2.324700|2.688994|11.370651|15.931819|73.516695| |3.193938|4.207324|4.314282|5.160331|0.122202|4.549429|8.710826|6.251530|3.017018|2.492402|2.356245|2.027232|1.863140|1.926802|2.203537|11.247229|12.623788|14.099510|36.858105| |3.027634|3.939995|4.358067|4.448738|0.107724|3.802741|6.960772|5.481929|2.657525|2.261976|2.174962|1.899847|1.747426|1.790312|2.015753|8.909036|8.963166|11.976793|17.429842|0.500000| |2.681256|3.368275|3.321646|4.007902|0.096911|3.963829|8.099210|5.646953|2.886173|2.381716|2.263825|1.949484|1.787416|1.842383|2.101619|7.354300|7.521660|11.411505|12.428020|0.243661|36.858105| |2.324186|2.795603|2.782502|3.318124|0.084590|3.278028|6.692101|4.792933|2.498689|2.097408|1.977021|1.730546|1.613179|1.675394|1.896639|5.850281|5.093447|7.714565|7.804339|0.180654|12.751286|36.858105| |2.048267|2.392784|2.346764|2.804001|0.072836|2.866273|5.909770|4.308188|2.316327|1.961828|1.846129|1.627905|1.527559|1.590077|1.792046|4.649097|3.862572|6.161070|5.079220|0.123597|7.320661|14.043548|36.858105| |1.921911|2.216891|2.134319|2.564077|0.066395|2.721589|5.677557|4.180888|2.317253|1.967451|1.857733|1.638355|1.534384|1.593425|1.793490|4.067905|3.376296|5.659054|4.047978|0.099225|5.725365|7.438303|13.229674|36.858105| |1.710861|1.932660|1.864499|2.206826|0.058132|2.339193|4.799048|3.673363|2.061525|1.780905|1.682279|1.501653|1.419316|1.476140|1.647015|3.412518|2.743432|4.629948|3.187995|0.080415|4.101247|5.139558|7.965246|14.182905|36.858105| |1.613378|1.805352|1.762686|2.055272|0.054990|2.132750|4.299021|3.360073|1.866762|1.629743|1.536398|1.383401|1.318485|1.375231|1.525543|3.183270|2.500020|4.149808|2.937735|0.075584|3.571815|4.658757|6.905437|7.878733|13.201821|36.858105| |1.672447|1.878824|1.857738|2.149890|0.057891|2.180180|4.355164|3.399889|1.855357|1.618550|1.522592|1.371390|1.309177|1.367821|1.518045|3.393456|2.641167|4.284224|3.205497|0.083248|3.794125|5.304382|7.680850|6.614698|7.704653|14.026161|36.858105| |1.882660|2.156777|2.145314|2.503267|0.066730|2.503792|5.032322|3.819375|2.047933|1.763851|1.657018|1.479386|1.403322|1.465472|1.637969|4.094742|3.241113|5.123817|4.178387|0.106921|5.102267|8.444921|13.231602|7.644329|6.810191|8.077836|13.482157|36.858105| |1.975134|2.272954|2.307523|2.640603|0.070982|2.549533|5.018335|3.860696|2.027299|1.752066|1.645877|1.472361|1.398924|1.461395|1.631057|4.426002|3.442718|5.282964|4.623342|0.121976|5.120178|8.283402|8.421687|5.283318|4.645409|5.249277|7.710650|14.420668|53.358707| |1.861660|2.112491|2.164166|2.422749|0.066052|2.316351|4.484734|3.553809|1.866394|1.631977|1.535238|1.384279|1.322619|1.382068|1.532616|3.986463|3.028578|4.686352|3.910913|0.106387|4.104257|5.830442|5.915398|4.231645|3.946522|4.639474|6.817326|9.262523|26.019606|0.500000| |2.268109|2.691636|2.769189|3.163234|0.083199|2.973026|5.827177|4.392783|2.254247|1.926240|1.813850|1.607308|1.513309|1.575632|1.769280|5.623883|4.540280|6.666854|6.969296|0.183128|7.382052|12.698819|8.177760|5.071705|4.095320|4.148274|5.193292|8.344952|17.882328|0.243573|36.858105| |2.188719|2.600192|2.751522|2.948921|0.077050|2.727580|5.214180|4.097657|2.098061|1.818068|1.734362|1.546823|1.451764|1.498794|1.668019|5.176875|4.278160|6.463453|6.459219|0.196052|6.605569|9.067717|6.387248|4.383709|3.630034|3.673639|4.481220|6.478747|12.496121|0.207268|17.505150|0.500000| |2.612385|3.121350|3.229890|3.811494|0.102773|3.402605|6.534836|4.909983|2.444733|2.075204|1.928790|1.703264|1.612070|1.693374|1.915139|7.147327|5.224163|7.132207|7.797666|0.196110|6.223992|7.512185|5.421601|3.922804|3.287652|3.312134|3.964130|5.450379|10.186851|0.178663|12.252786|0.243014|36.858105| |3.158404|3.974414|3.985545|5.225398|0.134351|4.537847|8.816378|6.161847|2.969263|2.446439|2.255446|1.953097|1.829056|1.924997|2.213425|11.453217|8.280733|9.836115|13.214193|0.248299|7.874673|7.314087|5.077229|3.920004|3.185042|3.042357|3.423019|4.507696|7.172253|0.124777|7.861632|0.176124|13.216200|53.358707| |3.941738|5.016755|4.908235|7.341000|0.201890|5.506713|9.815722|7.246468|3.300923|2.711328|2.457612|2.120178|1.998374|2.125957|2.467767|17.618681|8.077537|9.632543|7.953647|0.178286|5.238383|4.708381|3.709332|3.101820|2.628218|2.523865|2.775206|3.411520|5.255479|0.097247|4.971971|0.121491|7.516482|17.605108|36.858105| |3.836911|4.631596|5.130900|5.697507|0.168748|4.155458|7.013908|5.997403|2.762003|2.380590|2.198050|1.943290|1.848288|1.951387|2.210712|10.529074|5.679435|7.621683|5.762384|0.155448|4.024759|3.776024|3.070472|2.587138|2.256594|2.218695|2.464317|2.959964|4.689274|0.090922|4.290352|0.112051|6.370052|10.318505|12.427996|36.858105| |3.663353|4.243493|3.861667|6.263860|0.198118|5.482885|10.267484|7.363265|3.457958|2.810711|2.463501|2.129353|2.046951|2.231412|2.626574|10.357678|5.425655|7.420571|5.280123|0.121326|4.232942|4.086946|3.489802|3.009128|2.617805|2.536676|2.765696|3.290085|4.913085|0.092267|4.226217|0.100322|5.927867|10.620505|12.462781|7.570185|36.858105| |17.565615|8.820283|7.003109|5.465038|0.147146|4.508224|6.264646|8.930128|3.816777|3.837310|3.847393|3.472540|3.180865|3.173972|3.455023|5.575290|3.605997|6.621076|2.859251|0.077003|2.441341|2.123145|1.883025|1.777371|1.591094|1.501906|1.552296|1.736238|2.473695|0.047794|2.074455|0.056317|2.345219|3.771945|3.321306|3.313831|3.058552|0.500000| |17.639639|8.695146|5.506086|6.856751|0.194792|6.246670|8.021043|14.189405|5.388566|5.314067|4.789470|4.060543|3.788403|4.030218|4.744291|6.164817|3.808843|6.852018|2.976732|0.076966|2.575522|2.247289|2.009480|1.910792|1.708770|1.604173|1.649124|1.841730|2.598569|0.049892|2.164988|0.057479|2.466900|4.044748|3.644201|3.412348|3.568922|0.302652|0.500000| |17.507878|8.768999|6.983179|6.728120|0.217293|4.972583|6.842523|9.133515|3.782420|3.594753|3.329010|2.972251|2.845008|3.003708|3.375442|6.535856|3.829653|6.509670|3.081435|0.081769|2.560043|2.269297|2.002721|1.861229|1.667405|1.590211|1.661978|1.868572|2.696410|0.052313|2.262953|0.060561|2.656238|4.297001|4.056373|4.166251|3.839645|0.302265|0.300807|0.500000| |8.881356|17.607634|8.952273|8.837538|0.177412|7.187386|9.315989|12.686975|4.907406|4.294361|4.294916|3.491603|3.012930|3.010683|3.484363|8.580823|5.975691|12.311012|4.075959|0.105906|3.406920|2.764666|2.382210|2.244839|1.949381|1.798343|1.850272|2.115516|2.988735|0.056347|2.591416|0.069933|2.900510|4.989167|4.296246|3.853828|3.689190|0.215175|0.209418|0.173427|0.500000| |6.833863|8.733879|17.543713|6.716073|0.180840|4.393556|6.517248|6.998073|3.038480|2.750638|2.646247|2.352187|2.190078|2.246666|2.499966|8.647223|5.135746|8.263461|4.134913|0.117063|3.146794|2.727558|2.305269|2.071981|1.824076|1.747429|1.860902|2.148204|3.193229|0.061794|2.802043|0.077156|3.373016|5.531868|5.253665|6.183132|4.123021|0.169109|0.139779|0.205464|0.173683|0.500000| |5.507935|8.708109|17.612785|6.598588|0.149391|4.622343|7.032799|7.156210|3.152581|2.795563|2.763068|2.410154|2.178129|2.192491|2.449527|9.670287|7.058788|12.328458|5.178083|0.151813|3.837122|3.115789|2.568279|2.310959|1.993845|1.876425|1.984257|2.321247|3.414656|0.064800|3.085814|0.086574|3.552945|6.046884|5.148970|5.256801|3.828245|0.143297|0.122254|0.140754|0.214845|0.300471|0.500000| |7.152583|8.877603|17.566330|5.435250|0.134909|4.046281|5.963972|6.927401|3.060836|2.872289|2.901788|2.599049|2.356122|2.339018|2.553897|6.597809|4.500737|8.229064|3.549346|0.101279|2.871045|2.440586|2.096399|1.931490|1.705133|1.614332|1.691321|1.928149|2.802133|0.054029|2.425207|0.067657|2.752708|4.447065|3.838819|4.055371|3.178335|0.217434|0.144004|0.177879|0.214477|0.302723|0.303353|0.500000| |3.868261|4.220069|3.214577|4.712740|0.114813|7.303635|12.921947|16.541841|17.642648|8.845866|7.042040|4.694753|3.972166|4.222877|5.697159|5.355165|3.922269|7.684877|3.147216|0.076572|3.107854|2.640625|2.455931|2.497679|2.200787|1.959791|1.928253|2.131782|2.838184|0.052894|2.325824|0.060246|2.467511|4.089121|3.214033|2.661472|3.274833|0.095862|0.123939|0.092505|0.132527|0.080190|0.087009|0.082106|0.500000| |3.870876|3.945416|3.018079|4.704609|0.125871|7.258355|12.901036|16.505530|17.642915|8.852183|5.623481|4.194256|3.972584|4.735534|7.190229|5.208467|3.526871|6.370897|2.931730|0.071151|2.833305|2.516054|2.365683|2.375134|2.130783|1.936036|1.920253|2.106013|2.823115|0.053096|2.276151|0.058132|2.478007|4.056244|3.308875|2.741619|3.648091|0.092761|0.128933|0.097012|0.113087|0.078524|0.079621|0.076327|0.302034|0.500000| |3.947679|3.975857|3.126591|3.707789|0.092038|4.530590|7.138298|10.654150|7.038868|8.907114|17.700227|8.929361|5.647407|4.954776|5.651013|4.194015|3.101802|6.292983|2.523806|0.064780|2.439744|2.092515|1.941530|1.958062|1.757245|1.592434|1.575512|1.724202|2.326567|0.044067|1.899585|0.050694|2.002611|3.211031|2.535842|2.253178|2.481859|0.107519|0.126640|0.090710|0.132576|0.076202|0.082785|0.085553|0.209141|0.142429|0.500000| |3.144172|2.924423|2.465538|2.673948|0.070081|2.997924|4.824768|6.581757|4.103141|5.635579|8.926963|17.721269|8.907572|5.646808|4.957374|3.111054|2.260586|4.410990|1.927547|0.050683|1.861302|1.650965|1.553830|1.566158|1.437857|1.324834|1.312073|1.413038|1.914025|0.036778|1.534629|0.041320|1.613780|2.501747|1.974750|1.827093|1.956430|0.090583|0.099226|0.075739|0.090956|0.062081|0.064467|0.070015|0.111250|0.096565|0.215606|0.500000| |2.812274|2.500495|2.133137|2.365598|0.064788|2.621079|4.259981|5.681755|3.553766|4.938684|5.647302|8.909448|17.720599|8.917118|5.646658|2.753978|1.943048|3.649337|1.693560|0.044480|1.628069|1.480296|1.406957|1.413588|1.315592|1.227733|1.219138|1.300527|1.766011|0.034220|1.396569|0.037375|1.482104|2.264339|1.807478|1.692307|1.845987|0.079431|0.090405|0.071037|0.073392|0.055610|0.055085|0.059987|0.090437|0.090438|0.124202|0.214774|0.500000| |2.955624|2.591388|2.169806|2.582161|0.073177|2.924726|4.779812|6.388897|4.100036|5.635890|4.956435|5.645505|8.914146|17.721368|8.918424|2.966739|2.033943|3.714739|1.780845|0.046144|1.703734|1.568469|1.496779|1.498313|1.398837|1.312302|1.306687|1.391848|1.891310|0.036687|1.486694|0.039276|1.599131|2.446154|1.983397|1.839370|2.102876|0.079189|0.098228|0.076959|0.073322|0.057791|0.055626|0.059343|0.097397|0.112530|0.107560|0.124107|0.214854|0.500000| |3.594494|3.241660|2.581263|3.475409|0.099458|4.290752|6.996451|9.895116|7.025170|8.912023|5.649285|4.955719|5.649918|8.925510|17.700050|3.860192|2.582758|4.647231|2.218951|0.056029|2.113770|1.931856|1.833591|1.830075|1.687367|1.570787|1.566234|1.686189|2.286276|0.043914|1.811041|0.047059|1.975100|3.096471|2.554846|2.276915|2.804198|0.089814|0.124675|0.092879|0.090563|0.068678|0.066177|0.067972|0.145135|0.218088|0.124132|0.107576|0.124228|0.215600|0.500000| |2.761452|3.454952|3.242066|4.211637|0.100517|4.494126|9.800775|6.311297|3.291684|2.642701|2.488107|2.109713|1.924088|1.991408|2.301141|7.346758|7.338382|11.938770|8.815613|0.174788|17.587066|8.987136|6.709775|6.027172|4.250284|3.546021|3.607699|4.611279|5.956491|0.099551|5.613422|0.136436|5.111441|9.087237|4.965440|3.699402|4.288383|0.069332|0.075183|0.072276|0.098908|0.084198|0.101331|0.078117|0.100863|0.090101|0.074823|0.055573|0.048312|0.050832|0.064311|0.500000| |2.509164|3.129972|3.153702|3.520816|0.085063|3.473578|6.855387|5.142377|2.659648|2.243101|2.176966|1.889722|1.721215|1.752146|1.974550|6.124147|6.263484|10.773870|8.721718|0.221435|17.536633|8.953093|6.216227|5.278222|3.879833|3.354897|3.495690|4.508373|6.070163|0.102424|6.016394|0.168965|4.917055|7.745941|4.215095|3.481435|3.453737|0.064710|0.066687|0.066059|0.089907|0.081844|0.102712|0.077490|0.080337|0.071490|0.065849|0.050679|0.043778|0.044969|0.054579|0.302414|0.500000| |2.002186|2.325726|2.211601|2.678586|0.068251|2.908520|6.138955|4.478725|2.510185|2.114589|2.007020|1.755595|1.629108|1.683963|1.902524|4.200745|3.573366|6.184515|4.121385|0.099829|6.034119|6.581333|8.724689|17.742912|9.009728|5.590731|4.818438|5.500256|5.833612|0.098114|4.427515|0.109527|3.607033|5.186247|3.077967|2.540847|2.959617|0.051504|0.055553|0.053227|0.066455|0.058798|0.066683|0.055699|0.076691|0.070872|0.059333|0.046664|0.041531|0.043683|0.053539|0.193272|0.159661|0.500000| |1.623543|1.817915|1.742624|2.054529|0.054134|2.205082|4.506680|3.517949|2.005913|1.746349|1.656000|1.483712|1.403081|1.455922|1.617960|3.111548|2.492109|4.287687|2.802285|0.071137|3.524891|4.105202|5.630691|9.036133|17.758320|8.777570|5.583085|4.924963|5.011934|0.089866|3.350760|0.084499|2.802060|3.770917|2.354371|2.036861|2.362157|0.042135|0.045320|0.043785|0.051295|0.047148|0.051463|0.044608|0.059812|0.057632|0.048026|0.039543|0.036197|0.038357|0.045943|0.103804|0.094615|0.215003|0.500000| |1.487101|1.645130|1.605583|1.854800|0.049942|1.927931|3.849334|3.078760|1.723536|1.520994|1.436704|1.302981|1.247700|1.300970|1.434261|2.825446|2.195544|3.678515|2.521099|0.065557|2.976693|3.689410|4.969981|5.661379|8.811298|17.721428|9.087990|5.705780|5.709596|0.108496|3.396078|0.085622|2.824706|3.554116|2.227538|1.988231|2.260623|0.038622|0.041201|0.040787|0.045545|0.044285|0.047156|0.041139|0.050088|0.049755|0.041194|0.034719|0.032402|0.034635|0.041054|0.082683|0.078732|0.124034|0.215755|0.500000| |1.576115|1.752395|1.744254|1.989100|0.054135|1.997048|3.933141|3.141655|1.711274|1.507763|1.419398|1.287442|1.235721|1.291930|1.425702|3.110135|2.380704|3.861788|2.849635|0.075314|3.225847|4.300117|5.505501|4.819358|5.521696|8.941694|17.752826|8.760712|9.226776|0.192678|4.537922|0.112285|3.641453|4.196783|2.565862|2.337982|2.576917|0.040758|0.043106|0.043804|0.047670|0.048922|0.051444|0.044319|0.048991|0.049241|0.040603|0.034251|0.032088|0.034450|0.040937|0.084829|0.083346|0.105276|0.123160|0.216919|0.500000| |2.488608|2.885562|2.915469|3.559787|0.099431|3.257162|6.316057|4.749540|2.394456|2.036229|1.871410|1.659312|1.586502|1.681951|1.904659|6.289378|4.356985|6.149732|5.712739|0.141512|4.987271|6.159433|5.078737|3.784079|3.283285|3.400691|4.132339|5.475850|10.085086|0.187616|8.817927|0.177667|17.614639|12.507823|6.732337|5.774497|6.405050|0.061809|0.066176|0.071062|0.074111|0.085411|0.086314|0.069747|0.066434|0.068651|0.053384|0.043461|0.040557|0.044416|0.055191|0.123120|0.111853|0.095042|0.077795|0.081185|0.107652|0.500000| |2.570228|3.044130|3.285733|3.568402|0.097372|3.081974|5.705403|4.548965|2.250273|1.946093|1.825638|1.627814|1.543788|1.613427|1.806037|6.522041|4.690625|6.565622|6.535753|0.190336|5.038821|5.651829|4.329069|3.289866|2.837343|2.893929|3.443421|4.482576|8.347368|0.162251|8.810827|0.229619|17.505183|12.182573|6.640056|6.943975|5.087465|0.064763|0.066401|0.073498|0.077780|0.097626|0.100808|0.078278|0.062662|0.062784|0.052591|0.043057|0.039634|0.042454|0.051512|0.115715|0.119572|0.085033|0.068365|0.070050|0.090723|0.301285|0.500000| |3.684718|4.566925|5.575903|5.128815|0.141288|3.779564|6.355163|5.566526|2.583280|2.254692|2.125062|1.887858|1.779888|1.852643|2.076102|9.549112|5.837858|7.970296|6.099159|0.183721|4.122799|3.780705|3.023313|2.540480|2.206755|2.163939|2.402975|2.897887|4.617690|0.089607|4.332602|0.119489|6.058537|9.445809|8.757182|17.569655|5.494008|0.091201|0.089320|0.108658|0.107816|0.186386|0.170325|0.122608|0.070191|0.070035|0.061218|0.049824|0.045474|0.048364|0.058583|0.101869|0.102233|0.069594|0.055363|0.053845|0.063288|0.141701|0.198644|0.500000| |4.467033|5.142722|5.683488|6.108913|0.198913|4.252768|6.842321|6.318096|2.851552|2.493836|2.291948|2.036075|1.949789|2.068003|2.338771|9.530699|4.962526|7.050196|4.601008|0.123907|3.408820|3.164334|2.658231|2.306742|2.038108|1.997773|2.185363|2.559158|3.944911|0.077182|3.462945|0.091277|4.714646|7.551320|8.824201|17.587149|6.829509|0.104999|0.107793|0.142805|0.113203|0.208280|0.147852|0.124175|0.074705|0.078310|0.064566|0.052941|0.049565|0.054260|0.067023|0.089905|0.083752|0.063550|0.051772|0.050293|0.057914|0.124622|0.138848|0.301994|0.500000| |3.216729|3.688210|3.998655|4.421574|0.133224|3.502472|6.094281|5.188903|2.468633|2.150982|1.983541|1.772941|1.703122|1.804263|2.028417|7.598762|4.488268|6.285853|4.878717|0.133114|3.662381|3.657540|3.044496|2.539304|2.249877|2.259896|2.553720|3.050911|4.962509|0.098987|4.380810|0.113327|6.742158|9.083464|8.753398|17.559336|6.974559|0.078684|0.081441|0.097512|0.088016|0.130648|0.113326|0.092581|0.066156|0.069134|0.056096|0.046382|0.043596|0.047701|0.058490|0.093125|0.088387|0.067989|0.056140|0.056434|0.068329|0.183843|0.217847|0.299824|0.303156|0.500000| |3.076087|3.460478|3.283054|4.644727|0.143655|4.198695|7.969760|5.984417|2.929201|2.447109|2.169496|1.906453|1.847602|2.008469|2.324276|7.578708|4.426157|6.244898|4.693332|0.111872|3.926700|4.073247|3.563016|3.014819|2.670979|2.661214|2.969422|3.523039|5.398630|0.103477|4.461298|0.103871|6.480870|9.670278|8.862936|6.843279|17.563364|0.073389|0.083218|0.090351|0.085253|0.098420|0.091415|0.077098|0.077865|0.086355|0.060573|0.048994|0.046746|0.053170|0.069071|0.107731|0.089816|0.080167|0.066333|0.065943|0.077964|0.223120|0.153817|0.141000|0.165302|0.206675|0.500000| |4.080382|4.465076|3.970391|6.496444|0.240058|5.488719|9.451686|7.730396|3.553828|2.943354|2.547341|2.215671|2.156266|2.378766|2.805642|9.037908|4.654192|6.700485|4.275061|0.103019|3.489420|3.328322|2.914410|2.584425|2.292505|2.228028|2.400915|2.776341|4.103778|0.078749|3.437010|0.084573|4.563775|7.630389|8.753528|6.987282|17.578851|0.092556|0.111185|0.123657|0.104414|0.120802|0.104304|0.091349|0.090332|0.104533|0.070126|0.056137|0.053953|0.062612|0.084204|0.098808|0.082203|0.071227|0.058374|0.056026|0.062952|0.135077|0.116364|0.141006|0.206447|0.177761|0.304380|0.500000| 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