Version2.0 2020-07-17T19:25:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)O)C(=O)N(C2=O)c4ccccc4)Cc5ccc(cc5)O C12497176 RHF 6-31G(d) (6D,7F) CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)O)C(=O)N(C2=O)c4ccccc4)Cc5ccc(cc5)O C01[X(C28H27N2O6)] 183 C1 594 CCOC(=O)[C@]1(Cc2ccc(cc2)O)[NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)c1ccc(cc1)O CCOC(=O)[C@]1(Cc2ccc(cc2)O)[NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)c1ccc(cc1)O CCOC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@H]([C@@H]3[C@@H]1C(=O)N(C3=O)c4ccccc4)c5ccc(O)cc5 InChIKey=ZHZSLMADHRXPPU-NLJXWPIHSA-O InChI=1S/C28H26N2O6/c1-2-36-27(35)28(16-17-8-12-20(31)13-9-17)23-22(24(29-28)18-10-14-21(32)15-11-18)25(33)30(26(23)34)19-6-4-3-5-7-19/h3-15,22-24,29,31-32H,2,16H2,1H3/p+1/t22-,23+,24-,28+/m0/s1 InChI=1/C28H26N2O6/c1-2-36-27(35)28(16-17-8-12-20(31)13-9-17)23-22(24(29-28)18-10-14-21(32)15-11-18)25(33)30(26(23)34)19-6-4-3-5-7-19/h3-15,22-24,29,31-32H,2,16H2,1H3/p+1/t22-,23+,24-,28+/m0/s1/fC28H27N2O6/h29H/q+1 CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)O)C(=O)N(C2=O)c4ccccc4)Cc5ccc(cc5)O C01[X(C28H27N2O6)] 183 C01 594 CCOC(=O)[C@]1(Cc2ccc(cc2)O)[NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1)c1ccc(cc1)O CCOC(=O)[C@]1(C[C]2[CH][CH][C]([CH][CH]2)O)[NH2][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][C]([CH][CH]1)O CCOC(=O)[C@]1(C[C]2[CH][CH][C](O)[CH][CH]2)[NH2][C@@H]([C]3[CH][CH][C](O)[CH][CH]3)[C@@H]4[C@@H]1C(=O)N([C]5[CH][CH][CH][CH][CH]5)C4=O InChIKey=GRLUCJRMIZNPDP-NLJXWPIHSA-N InChI=1S/C28H27N2O6/c1-2-36-27(35)28(16-17-8-12-20(31)13-9-17)23-22(24(29-28)18-10-14-21(32)15-11-18)25(33)30(26(23)34)19-6-4-3-5-7-19/h3-15,22-24,31-32H,2,16,29H2,1H3/t22-,23+,24-,28+/m0/s1 InChI=1/C28H27N2O6/c1-2-36-27(35)28(16-17-8-12-20(31)13-9-17)23-22(24(29-28)18-10-14-21(32)15-11-18)25(33)30(26(23)34)19-6-4-3-5-7-19/h3-15,22-24,31-32H,2,16,29H2,1H3/t22-,23+,24-,28+/m0/s1 3903.6158571135 -1633.9297939 1-A 18813.4563 128 466 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.75843 -20.69880 -20.69508 -20.69038 -20.67152 -20.67097 -15.83925 -15.73039 -11.52919 -11.49165 -11.49102 -11.47250 -11.46132 -11.42048 -11.41433 -11.40920 -11.40442 -11.40018 -11.38120 -11.37411 -11.37257 -11.36559 -11.36324 -11.35623 -11.35443 -11.35103 -11.34677 -11.34535 -11.33816 -11.33596 -11.33465 -11.31848 -11.31823 -11.31076 -11.30988 -11.30901 -1.62335 -1.54827 -1.52959 -1.52295 -1.51852 -1.51320 -1.48095 -1.39943 -1.28946 -1.27924 -1.27174 -1.23307 -1.22444 -1.17444 -1.16500 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0.5812 0.6464 0.6816 0.4013 0.1084 0.1733 0.2701 0.3936 0.6487 0.4709 0.2248 0.7141 0.2403 0.4896 0.1464 0.4893 0.7278 0.6370 0.7283 0.1271 0.7452 0.5836 0.7482 0.3192 0.0637 0.7176 0.3270 0.2420 0.2305 0.4802 0.1556 0.5576 0.4467 0.7079 0.4714 0.0326 0.7479 0.6960 0.7486 0.1094 0.1390 0.2121 0.5893 0.7392 0.7461 0.7444 0.4460 0.6441 0.4040 0.2294 0.3861 0.7498 0.7465 0.7130 0.5558 0.2753 0.3576 0.7443 0.7003 0.7498 0.7080 0.7451 0.2877 0.6158 0.7500 0.7060 0.6559 0.7500 0.7239 0.5453 0.5955 0.4184 0.5517 0.5604 0.5023 0.2296 0.0170 0.2293 0.0642 0.3545 0.7257 0.4660 0.3573 0.1895 0.3631 0.3409 0.7500 0.4571 0.6418 0.7498 0.1496 0.7499 0.1700 0.7051 0.7495 0.2579 0.1080 0.2279 0.0794 0.5343 0.3009 0.2890 0.8569 0.8555 0.8526 0.8571 0.8565 0.8252 0.8568 0.8541 0.8467 0.8273 0.8270 0.8446 0.8125 0.6636 0.7337 0.8511 0.8570 0.3189 0.6138 0.4891 0.6199 0.8366 0.2526 0.8551 0.3987 0.7527 0.8195 0.6284 0.8567 0.8192 0.8096 0.8563 0.3938 0.5787 0.7929 0.6099 0.6695 0.4123 0.6036 0.8389 0.8569 0.7404 0.6958 0.6554 0.6610 0.8527 0.6346 0.8241 0.0131 0.1379 0.6807 0.8571 0.8029 0.8297 0.6546 0.2733 0.6759 0.7842 0.8519 0.4132 0.2661 0.4347 0.4626 0.8569 0.1887 0.4966 0.3918 0.2711 0.1342 0.8011 0.8034 0.7054 0.4013 0.7866 0.8454 0.7226 0.4254 0.3564 0.7734 0.8571 0.7934 0.7351 0.7852 0.8106 0.5728 0.1956 0.2955 0.4253 0.5648 0.7869 0.6403 0.3671 0.8332 0.3875 0.6573 0.2554 0.6571 0.8424 0.7782 0.8428 0.2255 0.8540 0.7370 0.8560 0.4839 0.1198 0.8356 0.4929 0.3897 0.3747 0.6488 0.2693 0.7160 0.6175 0.8290 0.6408 0.0631 0.8558 0.8207 0.8562 0.1973 0.2440 0.3500 0.7416 0.8500 0.8546 0.8535 0.6169 0.7836 0.5755 0.3732 0.5571 0.8570 0.8549 0.8325 0.7145 0.4318 0.5268 0.8534 0.8237 0.8570 0.8290 0.8539 0.4468 0.7622 0.8571 0.8277 0.7922 0.8571 0.8399 0.7057 0.7465 0.5900 0.7111 0.7183 0.6687 0.3734 0.0335 0.3731 0.1207 0.5235 0.8410 0.6358 0.5265 0.3187 0.5328 0.5084 0.8571 0.6274 0.7818 0.8570 0.2602 0.8571 0.2906 0.8271 0.8568 0.4101 0.1949 0.3712 0.1471 0.6964 0.4626 0.4484 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 6 6 8 6 8 6 6 1 6 1 6 1 7 1 1 6 6 6 6 6 6 8 6 8 7 6 8 6 6 6 6 6 6 6 6 6 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 13402.8067 23908.4995 31367.0799 0.99997 -0.00442 0.00628 0.00450 0.99992 -0.01167 -0.00623 0.01170 0.99991 1 0.00646 0.00362 0.00276 0.13465 0.07549 0.05754 18.32 29.47 34.62 38.62 41.46 53.03 66.38 84.71 96.41 110.34 111.92 121.91 152.61 176.32 180.68 216.75 218.51 248.22 258.10 279.14 293.29 377.82 407.61 417.07 421.33 443.13 471.96 503.22 514.00 521.06 529.05 541.58 561.01 597.37 645.94 655.78 657.86 666.54 669.20 674.62 685.97 739.87 772.79 789.96 800.78 816.04 858.73 865.13 924.92 947.65 966.60 973.49 1001.83 1012.42 1017.00 1084.10 1098.04 1120.53 1136.52 1140.70 1161.69 1190.98 1208.04 1215.44 1245.07 1257.65 1268.05 1316.56 1323.60 1331.78 1347.29 1349.12 1360.15 1361.57 1368.82 1374.13 1397.77 1403.97 1432.86 1500.94 1511.27 1533.14 1546.08 1561.00 1568.74 1574.04 1585.14 1585.38 1589.87 1593.87 1595.30 1619.89 1634.67 1637.30 1686.25 1702.91 1705.91 1740.16 1751.07 1757.63 1775.80 1793.18 1794.12 1802.20 1818.86 1855.74 1860.66 1869.40 1873.29 1881.07 1889.12 1898.18 1909.02 1919.13 1922.98 1933.64 1962.79 2000.51 2004.93 2050.17 2053.70 2068.11 2081.07 2113.21 2123.70 2126.02 2141.44 2153.36 2161.86 2182.75 2199.59 2209.00 2224.45 2253.88 2267.85 2285.29 2312.28 2314.36 2335.23 2342.46 2343.82 2361.12 2393.26 2407.64 2444.06 2448.20 2567.14 2567.85 2581.63 2589.86 2597.47 2611.11 2614.88 2919.63 2942.81 3006.67 4613.23 4635.51 4641.21 4651.67 4729.54 4734.27 4743.38 4749.78 4776.70 4785.33 4818.93 4821.78 4834.76 4844.04 4853.24 4865.72 4866.20 4867.71 4878.09 4889.60 4896.61 4897.99 4902.24 5312.23 5404.02 5901.79 5907.23 0.549029 0.578766 0.579710 0.483641 -1633.380765 -1633.351028 -1633.350084 -1633.446153 3.222170D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)O)C(=O)N(C2=O)c4ccccc4)Cc5ccc(cc5)O C12497176 RHF 6-31G(d) (6D,10F) C1 487.186912 |X|Y|Z| 75.576537 106.149789 42.823115 70.037096 27 6 7 25 2 |36.858105| |12.607256|36.858105| |7.973894|13.122139|73.516695| |5.258436|8.041944|25.743022|36.858105| |4.573878|7.062151|15.248510|16.142913|73.516695| |4.008102|5.088335|14.194508|12.405832|14.291711|36.858105| |3.368737|4.086188|9.989908|7.485089|10.969270|12.479918|36.858105| |2.907187|3.386578|7.918773|5.521638|8.453769|9.016714|17.528850|0.500000| |3.669746|4.219833|10.211192|6.316446|8.972450|7.987480|12.632563|0.249961|36.858105| |4.362404|5.152101|12.437783|7.210674|10.155453|7.270818|8.957373|0.175488|17.510744|0.500000| |3.780519|4.069565|10.078652|5.573950|7.591649|7.417047|7.964077|0.203270|12.476153|0.248831|36.858105| |4.249543|4.298358|10.272890|5.089053|7.011358|5.822457|5.798315|0.144936|8.806851|0.229226|17.667603|0.500000| |4.190894|4.754744|13.181183|7.600764|9.354391|12.316354|8.200065|0.203330|8.124528|0.195644|12.254588|0.249807|53.358707| |5.142404|5.654877|16.571491|7.745462|9.325378|9.078880|6.096503|0.148352|6.432272|0.177030|8.976640|0.241233|25.703779|0.500000| |3.592501|3.948247|9.921023|5.800427|7.812045|8.986093|6.588868|0.188271|6.117030|0.145077|8.971915|0.192993|25.741403|0.329090|0.500000| |2.961390|3.096041|7.055245|3.999116|5.863142|5.265295|5.881270|0.181550|7.291712|0.152444|12.602003|0.248912|10.190877|0.164076|0.210308|36.858105| |2.706159|2.727014|5.890291|3.230079|4.890749|3.883698|4.302794|0.127263|5.470577|0.125996|7.676783|0.204802|6.912225|0.124841|0.140326|13.710055|36.858105| |2.274075|2.285057|4.790446|2.664016|4.150134|3.159959|3.471349|0.105641|4.049799|0.096072|5.051098|0.133973|5.288308|0.097238|0.112094|7.887814|13.794699|36.858105| |2.090522|2.134328|4.478532|2.553366|4.020252|3.097971|3.385041|0.107638|3.665375|0.086169|4.424905|0.111488|5.034753|0.090953|0.111561|6.814069|7.946760|13.721815|36.858105| |2.199381|2.295463|4.926194|2.883395|4.506274|3.675507|4.008137|0.135021|4.083431|0.093227|4.972967|0.117137|5.960600|0.103183|0.138655|7.880336|6.893006|7.932623|13.701607|36.858105| |2.581694|2.743065|6.142143|3.641317|5.499689|4.976256|5.475307|0.191993|5.557625|0.119840|7.406645|0.156218|8.634525|0.137910|0.206178|13.660810|7.983814|6.896920|7.950842|13.820551|36.858105| |1.828272|1.858063|3.812291|2.175103|3.490360|2.571956|2.775924|0.087112|2.933628|0.071000|3.376916|0.087255|4.026985|0.074498|0.088810|4.611433|5.233083|7.946257|14.252846|8.184953|5.302888|73.516695| |2.965136|3.321584|7.225618|4.449736|7.069739|5.175733|8.096007|0.199051|12.584912|0.255825|6.948953|0.160927|6.831890|0.118507|0.119205|5.813919|5.015443|3.966252|3.586632|3.841925|4.779693|5.217203|36.858105| |2.691978|2.897994|6.067503|3.565567|5.735729|4.013889|5.480672|0.145958|7.826114|0.182681|5.807544|0.146178|5.633009|0.101310|0.102050|5.456967|5.338857|4.310152|3.737901|3.772656|4.417500|5.474418|16.140763|73.516695| |2.765835|3.211301|6.813252|4.487893|7.658886|5.088757|8.302165|0.199565|8.295838|0.198159|5.106188|0.120161|5.926011|0.104011|0.105700|4.392980|3.765538|3.181246|3.029167|3.324321|4.013582|4.570183|13.633333|14.670878|53.358707| |2.964787|3.610213|7.926802|5.808522|10.209985|6.879373|12.555229|0.257105|8.060241|0.196766|5.162534|0.118170|6.810347|0.117143|0.120213|4.262274|3.468075|2.937940|2.874356|3.277130|4.068364|4.348270|8.113283|9.741517|18.521364|36.858105| |2.747603|3.385443|7.082055|5.261558|10.333857|5.722561|7.808446|0.183538|5.458729|0.144196|3.999259|0.095392|5.599381|0.100152|0.102339|3.429837|2.870978|2.508674|2.493881|2.832155|3.387057|3.867877|5.481734|7.427549|11.234736|16.172656|73.516695| |2.362418|2.688308|5.405641|3.454931|6.157900|3.720929|5.174240|0.135103|5.169210|0.134148|3.733814|0.092547|4.461101|0.081194|0.082412|3.418673|3.108307|2.755360|2.647502|2.828324|3.217921|4.132644|7.644399|11.653037|18.038439|7.647484|11.676496|36.858105| |2.059290|2.286587|4.572901|2.862370|5.036094|3.157632|4.215203|0.118995|4.228808|0.106337|3.321346|0.082600|3.941119|0.071722|0.075061|3.250661|3.042226|2.805025|2.739846|2.886795|3.151724|4.353465|6.056934|10.624206|10.637473|5.430259|8.648371|13.767662|36.858105| |1.831129|2.012393|3.920895|2.419589|4.325965|2.594056|3.257605|0.091313|3.263821|0.085129|2.685029|0.068538|3.262518|0.060626|0.062773|2.643585|2.533934|2.392118|2.346063|2.430410|2.582795|3.831244|4.284775|7.783207|7.002068|4.044634|6.898665|7.974734|13.762229|36.858105| |1.813826|2.001621|3.817619|2.350139|4.290708|2.435908|2.974589|0.080845|2.972085|0.080425|2.442443|0.063348|3.026062|0.057108|0.057806|2.342799|2.243454|2.099879|2.044542|2.116945|2.266685|3.349372|3.739796|6.641291|6.181876|3.742958|6.657216|6.909820|7.937198|13.748572|36.858105| |2.011573|2.255798|4.266150|2.648583|4.926849|2.670770|3.263386|0.085476|3.251558|0.090679|2.595003|0.067553|3.245915|0.061602|0.061022|2.405102|2.270741|2.079816|2.006492|2.095121|2.292823|3.247391|4.038590|6.871456|7.003568|4.285172|7.786424|7.974664|6.864989|7.933789|13.748713|36.858105| |2.328726|2.666567|5.151694|3.265819|6.065239|3.298070|4.225643|0.106766|4.204247|0.117935|3.156088|0.080939|3.911794|0.073367|0.072102|2.834846|2.615395|2.334321|2.235886|2.365551|2.661984|3.546226|5.419774|8.607124|10.642907|6.052220|10.609007|13.768069|7.908043|6.865174|7.937376|13.762254|36.858105| |3.304699|4.060276|9.734818|7.546544|11.450048|12.364248|7.361911|0.197651|5.032288|0.127767|5.000260|0.115322|10.167787|0.173558|0.209088|4.236909|3.243767|2.798082|2.870921|3.493644|4.490278|4.356395|3.870690|5.646491|5.442171|5.323479|8.986343|3.160801|2.792369|2.354400|2.214459|2.387706|2.846412|36.858105| |3.409378|4.056406|9.247058|6.160460|9.464020|7.403084|4.842160|0.130542|3.899671|0.103639|4.175304|0.103113|8.504391|0.168485|0.187922|3.638174|2.905368|2.548729|2.610812|3.105676|3.815795|4.032141|3.077375|4.692821|4.197048|3.793686|6.524086|2.546128|2.293334|1.986533|1.889103|2.024939|2.351849|12.574098|36.858105| |3.583784|4.358607|9.067888|5.824415|9.803209|5.629267|3.956352|0.102843|3.326752|0.092620|3.438874|0.088764|6.453333|0.137513|0.132621|2.969638|2.474307|2.188467|2.210175|2.542077|3.017407|3.473773|2.700458|4.168177|3.736078|3.336640|5.938419|2.325234|2.081253|1.834540|1.776320|1.922512|2.211664|7.516496|13.705262|36.858105| |3.351411|3.804610|7.376299|4.305257|7.281149|4.127485|3.124528|0.082734|2.766367|0.077432|2.927483|0.077821|5.225112|0.114805|0.109746|2.601497|2.231197|2.004626|2.024104|2.288729|2.639089|3.226863|2.300656|3.638789|3.138546|2.696275|4.780709|1.996518|1.814193|1.621627|1.575033|1.691260|1.912803|4.998271|7.882508|13.761537|36.858105| |3.030895|3.257797|6.416161|3.630795|5.946063|3.700541|2.881135|0.078413|2.606324|0.071672|2.860636|0.076419|5.046465|0.110689|0.111131|2.627881|2.269572|2.064575|2.104074|2.381288|2.705862|3.371670|2.180796|3.498274|2.921735|2.455017|4.279441|1.865034|1.721190|1.540453|1.483387|1.573723|1.767473|4.415747|6.805659|7.932808|13.727130|36.858105| |2.915422|3.116930|6.458681|3.697670|5.853764|4.082331|3.167640|0.088668|2.848927|0.076227|3.236606|0.084796|5.849027|0.124671|0.137885|3.052437|2.584214|2.355990|2.439068|2.824044|3.234118|3.873523|2.360454|3.784150|3.120941|2.615826|4.476142|1.970003|1.832765|1.625002|1.545057|1.625944|1.833456|5.001690|7.862768|6.880874|7.933683|13.705270|36.858105| |3.066855|3.404312|7.510536|4.537613|6.956307|5.514044|4.041797|0.114805|3.469975|0.090537|3.966277|0.099422|7.741279|0.155294|0.193668|3.692813|2.979058|2.665909|2.780414|3.337800|4.007744|4.314590|2.796278|4.386834|3.704702|3.186964|5.383787|2.282855|2.108296|1.838673|1.733294|1.828066|2.091379|7.528777|13.659155|7.989568|6.907985|7.958624|13.809576|36.858105| |2.715551|2.814357|5.325576|2.945624|4.904791|2.955526|2.405410|0.065710|2.229827|0.061663|2.441406|0.066372|4.102184|0.090120|0.089434|2.282295|2.024271|1.868503|1.900562|2.110350|2.337904|3.091653|1.906146|3.105257|2.546131|2.096523|3.664102|1.651574|1.537343|1.390836|1.344196|1.419555|1.576033|3.369658|4.602851|5.222865|7.940127|14.208981|8.170520|5.297928|73.516695| |17.574095|8.842582|12.760254|4.879781|7.416139|3.920619|3.444893|0.082503|3.975874|0.134408|4.126213|0.135531|5.812712|0.143603|0.100325|3.186744|2.971624|2.457416|2.212376|2.294286|2.695300|3.416841|3.218738|5.271102|3.963077|3.025743|4.875721|2.477938|2.159907|1.912683|1.886983|2.088730|2.426269|3.139501|3.137254|3.166854|2.936005|2.723750|2.697626|2.874347|4.359795|0.500000| |17.577580|8.943894|10.162252|4.267837|7.050947|3.331504|2.886859|0.070197|3.098724|0.100758|3.128346|0.096052|4.619159|0.110738|0.083070|2.541742|2.363451|2.026372|1.872596|1.955593|2.252506|2.950276|2.609102|4.269680|3.368961|2.630466|4.419810|2.167588|1.900425|1.714027|1.715463|1.904853|2.173237|2.853563|2.954653|3.173851|3.043685|2.748143|2.595960|2.677650|4.485494|0.301563|0.500000| |17.575988|8.845262|12.771532|4.880642|7.388412|3.938407|3.218245|0.078931|3.446385|0.108849|3.738318|0.116655|5.859367|0.152543|0.105433|2.990985|2.724470|2.303747|2.131143|2.249752|2.634504|3.316523|2.768489|4.493900|3.496120|2.767850|4.564779|2.194082|1.942067|1.727744|1.696927|1.858237|2.134584|3.354454|3.625765|3.822208|3.701752|3.421747|3.270278|3.354903|5.473433|0.299891|0.301445|0.500000| |8.794274|17.654434|16.489450|7.262651|12.662857|4.717588|3.708509|0.087418|3.621945|0.116615|3.519375|0.100258|5.777040|0.137182|0.102069|2.786081|2.448967|2.093820|1.989432|2.155918|2.547799|3.110845|2.926144|4.556589|3.952447|3.330488|5.749106|2.473605|2.125889|1.888930|1.885652|2.116826|2.469313|4.089932|4.289442|4.994230|4.404949|3.587878|3.289691|3.520540|5.483801|0.172698|0.211276|0.211053|0.500000| |8.788905|17.655042|16.469607|7.264495|12.817256|4.688331|4.066676|0.092331|4.248321|0.149672|3.834816|0.111397|5.732327|0.130587|0.097433|2.940995|2.622330|2.206229|2.054464|2.194668|2.602224|3.192452|3.470665|5.367276|4.665021|3.809012|6.409453|2.901689|2.420253|2.137377|2.156137|2.476586|2.953742|3.719934|3.541787|3.749018|3.256371|2.808462|2.710922|2.978947|4.369477|0.210801|0.211229|0.172675|0.301577|0.500000| |2.870970|2.827772|5.997650|3.188777|4.837127|3.647091|3.997612|0.112095|5.364039|0.131360|7.165294|0.224495|6.390696|0.121323|0.123508|8.898309|17.715997|8.994136|5.664394|4.962446|5.656301|7.509921|4.973515|9.809836|4.989997|3.314261|4.895291|3.060971|2.950623|2.485409|2.232350|2.279877|2.624132|2.986732|2.708867|2.364331|2.146468|2.165284|2.416142|2.735941|3.460415|0.089956|0.069641|0.079414|0.069418|0.076076|0.500000| |2.125697|2.106228|4.313390|2.373100|3.744566|2.725163|2.967636|0.088195|3.464406|0.085162|4.130646|0.114711|4.448418|0.084207|0.092821|5.629055|8.941011|17.712874|8.891333|5.637045|4.964084|12.684430|3.481891|6.917630|3.860455|2.593714|3.995060|2.527140|2.594076|2.260857|1.998213|1.967866|2.176246|2.429447|2.244912|1.966563|1.822437|1.876207|2.110869|2.340244|3.057741|0.064144|0.053199|0.059660|0.053657|0.056821|0.217719|0.500000| |2.017005|2.116857|4.483088|2.657182|4.228825|3.355892|3.599559|0.121882|3.493451|0.081528|4.045150|0.096730|5.182247|0.091061|0.121682|5.612746|4.965011|5.655618|8.948710|17.749526|8.899117|13.367526|3.328704|5.753765|4.104357|3.031740|4.787706|2.625029|2.708419|2.317029|2.022577|1.988676|2.218447|3.358499|3.018374|2.474304|2.241855|2.348648|2.798679|3.286339|3.716543|0.057729|0.050266|0.057452|0.056015|0.056269|0.107731|0.124234|0.500000| |2.613244|2.849208|6.470085|4.001581|6.049488|5.847562|6.196459|0.235729|5.470661|0.118925|6.722524|0.139843|9.434756|0.144647|0.242057|8.807529|5.638912|4.963527|5.682234|9.072832|17.693340|7.651323|4.557400|7.123393|5.563806|4.432189|6.656294|3.245406|3.128935|2.565142|2.269562|2.315014|2.702231|5.672165|4.590373|3.459681|2.950096|3.008092|3.663450|4.795815|4.518208|0.074235|0.063301|0.074247|0.074680|0.074668|0.123541|0.107697|0.218353|0.500000| |1.769533|1.781180|3.613860|2.041014|3.287269|2.366668|2.550951|0.078392|2.745570|0.067470|3.132308|0.082989|3.697035|0.069449|0.080120|4.140084|4.962230|7.708688|9.982796|6.054936|4.430926|35.712574|2.778749|5.289049|3.297322|2.277853|3.611625|2.217258|2.340753|2.083557|1.829706|1.769682|1.918849|2.232701|2.080619|1.817239|1.698399|1.770063|2.009712|2.211094|2.907818|0.051975|0.044831|0.050036|0.046463|0.047990|0.116514|0.226573|0.152511|0.101443|0.500000| |2.031083|2.234660|4.537707|2.825778|4.864156|3.227366|4.346350|0.129585|4.378909|0.105369|3.548421|0.086745|4.131988|0.074122|0.079893|3.638298|3.410028|3.193880|3.164059|3.342356|3.598371|4.996784|6.282833|11.427596|9.778308|5.183349|7.973728|8.919317|17.739074|8.903092|5.642463|4.949559|5.636799|2.872906|2.354159|2.100916|1.834552|1.759766|1.898106|2.196233|2.790908|0.059277|0.051732|0.053796|0.057727|0.064627|0.089640|0.081071|0.086767|0.097796|0.074016|0.500000| |1.681619|1.827478|3.552576|2.171773|3.857432|2.344522|2.881836|0.082437|2.890842|0.074895|2.462807|0.063137|2.999529|0.055887|0.058493|2.487326|2.420133|2.339852|2.319393|2.377032|2.464465|3.854937|3.682974|6.858809|5.678259|3.417563|5.840083|5.665483|8.937627|17.732240|8.909459|5.643507|4.949101|2.162398|1.847713|1.703945|1.519539|1.455531|1.540249|1.732445|2.349359|0.048747|0.043838|0.044421|0.047876|0.053397|0.065543|0.061974|0.063549|0.067539|0.058474|0.214994|0.500000| |1.657630|1.812819|3.417752|2.083716|3.812492|2.144675|2.549455|0.069677|2.547475|0.069353|2.149892|0.056298|2.688905|0.051184|0.051762|2.079720|2.011569|1.906282|1.862720|1.914828|2.023616|3.091189|3.100206|5.570231|4.921143|3.102684|5.582480|4.971952|5.647945|8.919824|17.728397|8.919892|5.648015|1.977463|1.713357|1.622850|1.452817|1.372480|1.424101|1.582841|2.226392|0.047767|0.043885|0.043223|0.047744|0.054063|0.055708|0.050852|0.051186|0.056218|0.047143|0.124105|0.214886|0.500000| |1.950375|2.182737|4.039280|2.486039|4.690377|2.447399|2.889189|0.075123|2.875617|0.081864|2.342261|0.061779|2.976751|0.057263|0.056035|2.158902|2.047146|1.880073|1.812566|1.886722|2.057391|2.952411|3.412055|5.815749|5.679812|3.682381|6.854936|5.665575|4.949047|5.643465|8.909274|17.732705|8.937917|2.209028|1.903694|1.834454|1.625340|1.506480|1.541797|1.716920|2.428823|0.055964|0.051899|0.049856|0.057275|0.067092|0.057442|0.049719|0.049946|0.057844|0.044843|0.107486|0.124077|0.214879|0.500000| |2.568683|3.005411|5.714331|3.648710|6.973086|3.510663|4.368915|0.105577|4.329059|0.128140|3.215315|0.083385|4.072941|0.077431|0.073937|2.791336|2.551148|2.247141|2.140747|2.273917|2.592391|3.382131|5.170157|7.928375|9.786053|6.268813|11.360669|8.919630|5.636822|4.949625|5.642491|8.903002|17.738592|2.982105|2.471493|2.359715|2.029055|1.851148|1.900152|2.163705|2.925769|0.073958|0.066749|0.064422|0.076985|0.094984|0.071731|0.058137|0.059122|0.073665|0.050832|0.124143|0.107487|0.124105|0.215000|0.500000| |3.098728|3.895938|8.762830|7.096517|12.740970|9.038390|6.683196|0.173777|4.516258|0.118251|4.164936|0.098689|7.515252|0.135040|0.148133|3.571716|2.842605|2.491051|2.552154|3.040816|3.749786|3.944920|3.681789|5.361443|5.489964|5.629003|10.479016|3.264395|2.847207|2.421540|2.307908|2.516653|3.002759|17.594116|8.816055|7.008120|4.673539|3.949520|4.199464|5.661076|5.506761|0.081191|0.075983|0.085486|0.111598|0.102592|0.073752|0.060985|0.082274|0.126757|0.056579|0.079799|0.061345|0.057218|0.065021|0.088318|0.500000| |2.864096|3.366522|7.776856|5.523787|8.630987|8.894008|7.049486|0.226119|4.841398|0.116540|4.941106|0.110892|9.224937|0.149992|0.211422|4.562586|3.425704|3.013866|3.197064|4.065858|5.273108|4.831666|3.885097|5.737443|5.426003|5.134926|8.527612|3.177645|2.891895|2.422623|2.235349|2.362240|2.788212|17.550081|8.882475|5.641740|4.203784|3.974785|4.738046|7.168707|5.553340|0.077219|0.069528|0.081063|0.092802|0.087199|0.085037|0.071655|0.110979|0.202979|0.067668|0.084648|0.062434|0.055459|0.060109|0.079035|0.304432|0.500000| |3.660531|4.705094|9.369736|6.394776|12.078225|5.552060|4.013307|0.101275|3.334113|0.094887|3.284622|0.085009|5.922324|0.124893|0.116195|2.793283|2.348695|2.073279|2.078472|2.367255|2.799534|3.276408|2.740038|4.195292|3.884742|3.534298|6.486652|2.431377|2.144586|1.896398|1.857169|2.035909|2.352141|6.948974|8.898995|17.713703|8.971593|5.656355|4.956304|5.659282|7.497689|0.088968|0.091369|0.104349|0.156142|0.115265|0.062963|0.052056|0.063835|0.088239|0.047848|0.059320|0.048565|0.047064|0.054298|0.070750|0.208131|0.142526|0.500000| |3.258152|3.673526|6.693250|3.847637|6.777867|3.531133|2.774460|0.072897|2.493583|0.070827|2.590028|0.069781|4.442991|0.097863|0.091296|2.303636|2.011879|1.817277|1.824339|2.033411|2.313682|2.933340|2.111568|3.363493|2.900739|2.468476|4.432291|1.872487|1.700376|1.534936|1.504634|1.621140|1.819520|4.081025|5.624709|8.925300|17.701755|8.898703|5.638838|4.969135|12.697421|0.078246|0.084676|0.099009|0.122021|0.088353|0.054321|0.046349|0.055351|0.070747|0.043181|0.047399|0.039959|0.038743|0.043643|0.053892|0.110972|0.096826|0.217055|0.500000| |2.624402|2.727802|5.561271|3.132723|4.989067|3.474040|2.822930|0.080244|2.598162|0.069092|2.989547|0.079118|5.149314|0.108909|0.122757|2.920795|2.524329|2.346810|2.452574|2.815618|3.128448|3.944251|2.191508|3.568057|2.871633|2.357415|4.015942|1.831534|1.725354|1.538114|1.457403|1.520893|1.700556|4.076025|5.603288|4.958610|5.656059|8.948488|17.744629|8.884798|13.347248|0.068527|0.065554|0.081818|0.078731|0.066733|0.065301|0.058708|0.078301|0.096464|0.056853|0.049919|0.040787|0.037474|0.040058|0.048583|0.096834|0.112270|0.107629|0.124285|0.500000| 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