Version2.1 2021-01-13T04:32:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCC(CC1)[NH2+]Cc2c3ccc(cc3n(c2C(=O)[O-])Cc4ccc(cc4)C=C)OC C09532243 RHF 6-31G(d) (6D,7F) CC1CCC(CC1)[NH2+]Cc2c3ccc(cc3n(c2C(=O)[O-])Cc4ccc(cc4)C=C)OC C01[X(C27H32N2O3)] 186 C1 544 COc1ccc2c(c1)n(Cc1ccc(cc1)C=C)c(c2C[NH2+]C1CCC(CC1)C)C(=O)[O-] COc1ccc2c(c1)n(Cc1ccc(cc1)C=C)c(c2C[NH2+]C1CCC(CC1)C)C(=O)[O-] COc1ccc2c(C[NH2+]C3CCC(C)CC3)c(n(Cc4ccc(C=C)cc4)c2c1)C([O-])=O InChIKey=KJYRZLYGFMXTAF-UHFFFAOYSA-N InChI=1S/C27H32N2O3/c1-4-19-7-9-20(10-8-19)17-29-25-15-22(32-3)13-14-23(25)24(26(29)27(30)31)16-28-21-11-5-18(2)6-12-21/h4,7-10,13-15,18,21,28H,1,5-6,11-12,16-17H2,2-3H3,(H,30,31) InChI=1/C27H32N2O3/c1-4-19-7-9-20(10-8-19)17-29-25-15-22(32-3)13-14-23(25)24(26(29)27(30)31)16-28-21-11-5-18(2)6-12-21/h4,7-10,13-15,18,21,28H,1,5-6,11-12,16-17H2,2-3H3,(H,30,31)/f/h28H CC1CCC(CC1)[NH2+]Cc2c3ccc(cc3n(c2C(=O)[O-])Cc4ccc(cc4)C=C)OC C01[X(C27H32N2O3)] 186 C01 544 COc1ccc2c(c1)n(Cc1ccc(cc1)C=C)c(c2C[NH2+]C1CCC(CC1)C)C(=O)[O-] CO[C]1[CH][CH][C]2[C]([CH]1)N(C[C]1[CH][CH][C]([CH][CH]1)C=C)C(=[C]2C[NH2][C@@H]1CC[C@H](CC1)C)[C]([O])=O CO[C]1[CH][CH][C]2[C]([CH]1)N(C[C]3[CH][CH][C]([CH][CH]3)C=C)C(=C2C[NH2][C@@H]4CC[C@@H](C)CC4)C([O])=O InChIKey=NXKRWDDONCYNKL-XGAFWQRZSA-N InChI=1S/C27H32N2O3/c1-4-19-7-9-20(10-8-19)17-29-25-15-22(32-3)13-14-23(25)24(26(29)27(30)31)16-28-21-11-5-18(2)6-12-21/h4,7-10,13-15,18,21H,1,5-6,11-12,16-17,28H2,2-3H3/t18-,21- InChI=1/C27H32N2O3/c1-4-19-7-9-20(10-8-19)17-29-25-15-22(32-3)13-14-23(25)24(26(29)27(30)31)16-28-21-11-5-18(2)6-12-21/h4,7-10,13-15,18,21H,1,5-6,11-12,16-17,28H2,2-3H3/t18-,21- 3113.2908222778 -1374.5473047 1-A 21216.6178 116 428 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.57995 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6.0860 1.0873 0.2622 0.2072 2.0805 2.3983 3.7212 9.2481 2.6526 5.6033 14.1223 5.7102 13.0591 1.1203 22.7087 5.6311 2.9384 3.5756 10.0797 0.6393 12.5167 10.8347 4.9509 0.6241 2.2491 5.6202 11.3378 0.4248 44.6991 2.1398 4.7605 50.9644 43.0418 22.0900 52.7562 11.7143 25.6687 12.8411 23.3346 6.8474 5.4055 0.0048 46.9594 0.2345 6.5146 5.3366 1.7871 1.3661 10.5297 5.0625 9.9530 33.0799 30.5180 8.5203 7.4363 0.5905 0.5726 37.3313 4.9424 4.4458 10.2135 33.0850 65.1624 15.5116 19.0626 3.0488 1.8526 1.7668 23.2757 44.7935 40.0210 71.1736 111.4203 120.8953 21.0799 330.3132 9.1357 56.3447 333.2370 126.1766 30.0818 174.7920 0.6088 2.4691 6.6824 19.8038 25.0150 200.5315 25.5616 24.1848 54.2724 38.9698 16.7096 20.6332 41.8245 0.9161 6.7253 126.1565 11.5606 14.7323 66.2275 82.3536 280.5902 18.4976 12.7378 0.4085 3.5955 10.6369 7.7257 169.3738 128.1739 42.1921 40.7162 19.4778 199.8539 23.2193 1.6632 12.0604 137.1596 133.5396 12.1769 762.4814 945.3812 2.0938 7.1041 38.0120 45.0904 63.4825 67.2630 5.4817 18.9170 47.5961 35.9491 25.4206 17.6724 78.4467 57.8787 50.2764 5.1506 49.6223 48.9040 13.4715 8.5207 4.1522 30.7376 26.2033 25.7973 4.4009 18.5560 21.4787 1.2220 25.2209 2.9081 24.1713 1.7622 2.0038 4.3980 1.7174 6.7845 8.3249 0.5385 4.8724 0.5658 0.8072 1.0806 0.2604 1.5464 3.0798 2.9316 1.9534 1.9172 1.2331 0.0484 0.6941 0.5408 0.1678 3.8462 0.4900 2.1125 1.0416 0.2418 0.8662 1.2827 3.8022 0.8677 0.8810 0.5725 0.8610 1.1154 0.6616 0.7475 2.2370 1.3220 1.7611 4.7934 2.7172 1.7725 2.0943 1.9351 4.2635 5.3965 3.7605 5.8860 6.4997 2.1040 5.2671 6.3317 6.2431 16.8903 13.8158 3.6005 9.4464 6.8808 2.6772 13.1344 19.3602 1.5550 4.7759 0.8813 2.8109 2.1061 2.0639 2.8416 3.5234 11.0030 1.8141 1.7884 0.3188 6.9233 3.2996 2.9398 1.1873 2.1830 5.5438 1.1830 0.5897 2.8037 23.7779 8.6929 9.1913 9.0683 29.1953 2.6386 2.4383 6.4740 4.3669 4.7261 6.1167 27.0474 23.6016 14.7731 4.9731 11.0425 40.2197 6.1617 1.1598 9.3963 13.0985 24.4606 30.8226 0.0596 5.3311 34.6262 2.6291 19.3507 15.5037 18.2104 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0.0106 0.0411 0.6200 0.3770 0.3755 0.1971 0.7888 0.1598 0.6351 0.8569 0.8568 0.3250 0.2984 0.6659 0.8468 0.4756 0.3100 0.7290 0.6197 0.5464 0.4449 0.2572 0.3717 0.3300 0.7382 0.4259 0.3697 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 64 6 6 6 6 6 6 6 7 1 1 6 6 6 6 6 6 6 6 7 6 6 8 8 6 6 6 6 6 6 6 6 6 8 6 1 1 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8409.5198 29906.5504 36174.8905 0.99999 0.00363 -0.00059 -0.00363 0.99999 -0.00393 0.00058 0.00393 0.99999 1 0.01030 0.00290 0.00239 0.21461 0.06035 0.04989 24.95 31.95 40.39 45.72 53.28 68.02 78.63 89.40 116.66 126.16 148.60 168.87 183.17 203.82 224.64 246.53 275.72 314.31 333.10 357.59 364.53 369.56 384.76 405.22 414.72 444.01 457.47 481.94 497.16 528.47 562.32 570.49 613.35 631.32 649.09 658.77 665.07 692.64 710.33 721.74 734.06 743.49 768.95 853.45 888.55 912.65 945.02 988.33 1006.19 1013.15 1029.29 1036.60 1103.19 1128.82 1165.41 1191.84 1199.37 1227.06 1233.29 1241.21 1291.11 1295.10 1303.17 1305.17 1339.04 1361.23 1383.84 1386.97 1388.03 1412.92 1439.13 1462.70 1483.93 1511.93 1525.77 1530.19 1539.59 1548.69 1567.59 1583.70 1600.05 1606.32 1613.04 1621.42 1632.82 1642.47 1647.33 1652.07 1692.60 1710.21 1729.86 1732.90 1756.53 1798.99 1814.24 1834.31 1853.76 1861.04 1869.21 1883.81 1892.69 1897.74 1910.82 1923.21 1934.14 1944.45 1966.49 2004.33 2023.01 2034.67 2047.10 2080.20 2081.51 2102.91 2112.68 2117.76 2122.92 2134.97 2143.74 2150.40 2189.73 2204.18 2208.38 2219.52 2229.90 2239.20 2248.57 2255.93 2263.98 2298.39 2301.16 2321.58 2344.03 2344.89 2350.77 2358.25 2362.18 2363.52 2366.13 2366.38 2376.52 2376.73 2387.26 2390.16 2410.27 2436.57 2476.24 2536.88 2539.13 2621.70 2628.02 2665.78 2684.67 2767.83 3703.97 4567.70 4575.84 4589.49 4595.91 4603.01 4610.12 4625.44 4643.73 4657.56 4658.95 4668.14 4671.67 4690.17 4697.35 4699.44 4702.23 4713.97 4780.00 4788.53 4801.64 4809.86 4812.92 4819.71 4829.26 4847.16 4863.79 4901.35 4907.84 4914.77 4927.75 5362.21 0.586460 0.614386 0.615330 0.524703 -1373.960845 -1373.932919 -1373.931975 -1374.022602 3.039644D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CC1CCC(CC1)[NH2+]Cc2c3ccc(cc3n(c2C(=O)[O-])Cc4ccc(cc4)C=C)OC C09532243 RHF 6-31G(d) (6D,10F) C1 432.241293 |X|Y|Z| 127.490676 64.652245 27.977554 61.323075 24 6 7 22 2 |36.858105| |12.463857|36.858105| |7.525562|12.426289|36.858105| |4.889239|7.503372|12.447276|36.858105| |4.339300|6.399170|7.533545|12.450826|36.858105| |4.878068|7.468370|6.447186|7.544944|12.446515|36.858105| |7.523853|12.428194|7.595114|6.486404|7.558705|12.431704|36.858105| |3.282064|4.401066|4.989844|7.792153|12.798206|7.651113|4.959040|53.358707| |3.162390|4.234419|4.555576|6.804154|8.932234|7.136497|4.656785|24.216002|0.500000| |3.043746|3.953348|4.757420|7.515334|9.246880|5.678611|4.177560|25.759554|0.316108|0.500000| |2.787966|3.516660|3.750192|4.956144|7.432795|6.063229|4.166870|17.369297|0.265831|0.259297|36.858105| |2.337744|2.852938|3.045253|3.918425|4.968865|4.273677|3.203454|10.623879|0.211118|0.205277|12.719876|36.858105| |2.039371|2.410545|2.596809|3.207119|3.840032|3.320311|2.655909|7.168313|0.137374|0.152303|7.282641|13.233657|36.858105| |1.941987|2.252116|2.445995|2.933047|3.470356|2.986940|2.477033|5.963213|0.109173|0.128869|5.756100|7.281525|13.681021|36.858105| |1.709072|1.943933|2.101537|2.456652|2.790013|2.457579|2.102167|4.581360|0.086674|0.099428|4.080047|5.004545|7.941911|13.828224|36.858105| |1.588229|1.800642|1.931142|2.251853|2.502706|2.243088|1.925678|4.119693|0.081008|0.089117|3.551852|4.551174|6.853778|7.899005|13.562602|36.858105| |1.635379|1.872211|1.995663|2.358836|2.618724|2.364285|1.999057|4.433397|0.090174|0.095260|3.810085|5.281478|7.802969|6.781540|7.859420|13.812282|36.858105| |1.840058|2.148496|2.290044|2.780805|3.171205|2.835293|2.320308|5.685637|0.117151|0.120990|5.113406|8.387859|13.590456|7.916970|6.906402|8.019248|13.687523|36.858105| |1.913136|2.257451|2.374751|2.912878|3.294330|3.013343|2.428415|6.013793|0.133943|0.124204|5.158177|8.511846|8.465932|5.357483|4.632786|5.154047|7.619064|13.896107|53.358707| |2.208781|2.679500|2.806387|3.561387|4.214323|3.839773|2.936911|8.385029|0.199519|0.162927|7.443167|13.972886|8.439253|5.237608|4.154846|4.174913|5.294879|8.527921|18.811388|36.858105| |2.362348|2.903672|2.943680|3.712278|4.271696|4.176648|3.159923|7.943575|0.221046|0.144903|6.001292|7.368802|5.078932|3.733183|3.118904|3.140797|3.798571|5.143545|10.104914|12.464439|36.858105| |2.126259|2.544052|2.535942|3.062011|3.399191|3.433592|2.735025|5.805723|0.148790|0.109208|4.420067|5.304380|4.170897|3.202163|2.795594|2.901557|3.544369|4.525769|8.935890|8.099792|15.734241|73.516695| |2.788956|3.573458|3.592547|4.714108|5.497286|5.473267|3.898087|10.261909|0.353013|0.172177|6.575162|6.560645|4.458018|3.460556|2.859438|2.788536|3.218342|4.182626|7.202557|8.119447|15.153689|15.287189|73.516695| |1.738309|2.019755|2.105118|2.519805|2.737558|2.565407|2.131695|4.709826|0.106608|0.097517|3.766114|5.209929|5.214415|3.909715|3.673612|4.294929|6.208083|7.638485|17.749987|7.476720|6.090451|11.584375|7.883492|36.858105| |1.581748|1.809130|1.853517|2.158907|2.359048|2.276117|1.925854|3.898130|0.086586|0.079013|3.187653|4.147576|4.273757|3.429287|3.344207|3.969982|5.473792|5.877290|10.379053|5.346858|4.709022|9.567709|6.393955|12.557135|36.858105| |1.603984|1.831639|1.841526|2.122722|2.355158|2.341866|1.978467|3.831742|0.085625|0.075451|3.188738|3.991935|3.918920|3.185851|3.033446|3.421685|4.372887|4.877492|8.375014|5.058807|4.788089|10.245722|6.504465|7.527832|13.701949|36.858105| |1.460861|1.643483|1.640538|1.854180|2.043194|2.054431|1.773582|3.224798|0.070790|0.063537|2.664170|3.176732|3.186651|2.736109|2.674575|3.004419|3.631521|3.791080|5.893205|3.743371|3.609986|7.475694|5.231971|5.012654|7.923011|13.787984|36.858105| |1.333904|1.487096|1.495662|1.678787|1.825055|1.813766|1.588178|2.852467|0.061788|0.057081|2.324966|2.750642|2.853684|2.527520|2.556656|2.943981|3.501882|3.425709|5.066119|3.149845|2.980899|5.979306|4.440912|4.400149|6.773128|7.864524|13.664329|36.858105| |1.321794|1.475983|1.503019|1.697807|1.828029|1.783964|1.561489|2.881881|0.062223|0.058623|2.325840|2.802392|2.983111|2.642860|2.732133|3.268965|3.996722|3.726925|5.437933|3.222008|2.968856|5.855830|4.413517|5.006196|7.886104|6.884425|7.987623|13.703345|36.858105| |1.425393|1.608316|1.653669|1.897676|2.042471|1.963545|1.696549|3.293154|0.071646|0.067643|2.653255|3.319717|3.563772|3.045535|3.122988|3.837225|5.075994|4.756495|7.224186|3.958543|3.532332|6.943285|5.104656|7.547123|13.727476|7.983611|6.932779|7.902466|13.759175|36.858105| |1.228620|1.354884|1.354774|1.499514|1.623044|1.626592|1.445702|2.486435|0.053390|0.049654|2.012792|2.307604|2.386897|2.176662|2.215920|2.498089|2.834690|2.751784|3.957206|2.562759|2.464063|4.865301|3.787268|3.279488|4.438525|5.062690|7.682451|12.871065|7.554356|5.031916|36.858105| |1.141568|1.250691|1.255791|1.381990|1.486437|1.480775|1.328030|2.259783|0.048064|0.045458|1.818751|2.067088|2.169310|2.021714|2.095849|2.371201|2.624345|2.480588|3.471948|2.251808|2.144975|4.151237|3.350004|2.839481|3.654225|3.883093|5.135442|7.594136|6.232441|4.301510|14.409113|36.858105| |1.430838|1.600119|1.709022|1.955605|2.131449|1.935304|1.695486|3.400753|0.067381|0.073272|2.836878|3.445813|4.610988|5.192015|7.845255|14.077342|8.241834|5.314955|5.394178|3.276553|2.615562|4.409884|4.175991|3.612285|3.504165|3.028051|2.769622|2.826623|3.197649|3.622678|2.454281|2.396398|73.516695| |1.367141|1.513248|1.617295|1.823332|1.980450|1.801979|1.602369|3.081436|0.060260|0.066238|2.550444|2.950904|3.796894|4.529594|6.733248|7.991825|5.277830|4.004536|4.280843|2.744795|2.255120|3.793940|3.686114|2.870416|2.806226|2.518904|2.358062|2.406874|2.649482|2.888073|2.159241|2.139096|24.244811|36.858105| |17.546219|8.774685|6.860423|4.526855|3.800767|4.041877|5.473053|4.071715|0.080928|0.078916|2.529457|2.171533|1.913472|1.823395|1.620123|1.515823|1.562000|1.745294|2.472832|2.074390|2.219693|3.580977|4.618451|1.668084|1.514962|1.526151|1.392097|1.278434|1.272625|1.372974|1.178787|1.098428|2.441789|1.313001|0.500000| |17.549260|8.778141|5.474610|4.052214|3.802948|4.521655|6.858078|4.065360|0.081434|0.076147|2.609475|2.209688|1.929615|1.832197|1.620254|1.513929|1.563119|1.754542|2.495294|2.109760|2.280569|3.697482|4.751543|1.677287|1.541782|1.577666|1.445681|1.317084|1.296762|1.389825|1.218769|1.130926|2.432931|1.307325|0.301749|0.500000| |17.526849|8.774385|6.796792|4.517923|4.163594|4.510483|6.798415|4.282672|0.082098|0.081801|2.729619|2.276548|2.012850|1.947238|1.716110|1.580965|1.610921|1.801657|2.514599|2.117499|2.216297|3.542301|4.577340|1.669931|1.525473|1.544376|1.412085|1.294432|1.283796|1.381184|1.195522|1.114925|2.536578|1.373452|0.301479|0.301521|0.500000| |8.922069|17.487854|8.923673|6.881294|5.717783|6.851811|8.923378|5.824049|0.121308|0.106596|3.394688|2.831110|2.370281|2.176933|1.888903|1.773637|1.867198|2.149348|3.132559|2.740488|3.074432|4.829276|6.855261|2.085153|1.862434|1.889410|1.689866|1.523756|1.510821|1.648918|1.385264|1.273964|2.806210|1.481999|0.213296|0.213422|0.173509|0.500000| |6.876975|8.805857|17.547462|8.870753|5.503461|4.837445|5.512208|5.652220|0.109110|0.114443|3.201280|2.717942|2.362243|2.230304|1.949752|1.811922|1.874290|2.124647|3.006263|2.559543|2.696320|4.202269|5.745701|1.993155|1.755317|1.732413|1.549487|1.422733|1.436330|1.578964|1.292000|1.201832|2.878672|1.534359|0.205649|0.140698|0.168264|0.214921|0.500000| |6.937602|8.842637|17.489283|8.842528|6.781962|5.660049|6.830650|6.227606|0.111403|0.123426|3.618812|2.919387|2.548161|2.462146|2.119191|1.921870|1.955288|2.221433|3.070902|2.630127|2.677221|4.121720|5.636493|1.989770|1.765848|1.752706|1.571664|1.440378|1.448297|1.586894|1.310215|1.220198|3.031630|1.630662|0.171946|0.141008|0.205605|0.174311|0.303567|0.500000| |4.512232|6.768723|8.838012|17.519655|8.891184|6.820547|5.700663|9.839698|0.207035|0.191865|4.647306|3.882991|3.131051|2.786327|2.359443|2.210203|2.360552|2.797535|4.117237|3.727290|4.103613|6.015763|9.669487|2.662755|2.258423|2.218439|1.924173|1.735023|1.755748|1.971689|1.542940|1.415534|3.422102|1.776550|0.119710|0.107805|0.110862|0.203308|0.215047|0.173500|0.500000| |4.066885|5.477466|8.824320|17.510207|8.825437|5.494736|4.857631|9.657781|0.165946|0.225156|4.699517|3.883540|3.294002|3.064575|2.580111|2.352779|2.441408|2.849934|3.981044|3.485177|3.477987|5.131043|7.474555|2.527368|2.144994|2.073256|1.810835|1.656248|1.693299|1.902978|1.477074|1.368956|3.633246|1.910176|0.108635|0.094703|0.108528|0.140716|0.213606|0.214766|0.302509|0.500000| |4.146937|5.614321|6.772906|8.852351|17.533468|8.835744|6.782334|12.443205|0.176809|0.216588|6.953287|4.634976|3.796395|3.614967|2.891035|2.526966|2.575062|3.061981|4.164140|3.773123|3.632335|5.276191|7.736183|2.535738|2.216605|2.208355|1.938629|1.746972|1.751691|1.944165|1.563922|1.442132|3.831974|2.032429|0.100367|0.100385|0.117107|0.131827|0.139532|0.199205|0.174209|0.215232|0.500000| |4.484992|6.699032|5.644075|6.789771|8.882248|17.549550|8.797490|9.700998|0.220444|0.149060|5.588935|4.256098|3.247871|2.839757|2.364121|2.204982|2.370149|2.861005|4.286484|4.075823|4.805705|7.008520|12.097140|2.723487|2.403653|2.489144|2.165480|1.895007|1.858306|2.051977|1.691204|1.529002|3.390836|1.758159|0.107112|0.119179|0.110378|0.200676|0.126402|0.130853|0.200725|0.139501|0.174057|0.500000| |4.074079|5.479083|4.848046|5.493285|8.802314|17.572131|8.867150|9.348905|0.175484|0.142149|6.639131|4.504987|3.496041|3.160780|2.574711|2.329169|2.443579|2.939936|4.206256|3.942101|4.171679|6.142858|9.200603|2.597000|2.343797|2.450298|2.158620|1.890974|1.841762|2.014152|1.698784|1.541811|3.555427|1.865202|0.094770|0.108905|0.108826|0.140550|0.106753|0.127133|0.139688|0.123212|0.214807|0.303667|0.500000| |6.944261|8.851773|6.835301|5.686517|6.797846|8.834125|17.483395|6.190900|0.113355|0.109433|4.007171|3.063702|2.605756|2.494528|2.119283|1.915740|1.958116|2.249679|3.135443|2.741063|2.844132|4.399526|6.016249|2.012735|1.830713|1.875148|1.693180|1.526348|1.502676|1.626162|1.395886|1.289286|3.005927|1.614313|0.141114|0.172005|0.205957|0.174384|0.139931|0.201531|0.131742|0.127229|0.199428|0.173136|0.216048|0.500000| |6.886163|8.816310|5.514426|4.859219|5.516690|8.880520|17.550233|5.606946|0.112132|0.097336|3.661891|2.914239|2.438216|2.269924|1.949897|1.803544|1.878322|2.165332|3.106794|2.732448|2.993247|4.720369|6.453131|2.031136|1.862994|1.938757|1.754068|1.565827|1.526035|1.643572|1.434627|1.315426|2.842935|1.512275|0.140793|0.205926|0.168581|0.215002|0.123345|0.139920|0.127502|0.106941|0.139660|0.214674|0.214795|0.303720|0.500000| |2.729269|3.359183|3.647719|4.622715|6.791122|5.386072|3.989292|12.316653|0.181935|0.219496|17.608718|8.885464|6.949827|6.465907|4.414556|3.624401|3.680686|4.683102|5.941675|5.558055|4.504894|6.331804|8.540868|3.285893|2.854432|2.837504|2.433101|2.162972|2.170783|2.445582|1.897147|1.734815|5.151416|2.667233|0.068627|0.070501|0.076054|0.087409|0.086273|0.102139|0.114578|0.126181|0.208165|0.129943|0.166561|0.112355|0.096598|0.500000| |2.866335|3.613169|3.631113|4.556159|6.880897|6.865253|4.518984|12.494097|0.231993|0.182482|17.665011|8.868034|5.717311|4.689680|3.529040|3.147657|3.388795|4.408346|6.296781|6.571137|6.030452|8.114597|12.011061|3.528105|3.104102|3.235214|2.731081|2.343159|2.293270|2.570279|2.043869|1.832812|4.579409|2.333491|0.071166|0.076006|0.077469|0.097554|0.085538|0.096561|0.121012|0.114254|0.174572|0.177812|0.238120|0.118799|0.113798|0.301427|0.500000| |2.057754|2.383952|2.604562|3.097281|3.748059|3.181005|2.653743|6.208712|0.108619|0.132826|6.049757|6.422002|8.840656|17.694170|8.985127|5.632897|4.902853|5.615025|5.886344|4.528912|3.431810|5.204753|5.899130|3.288390|2.927218|2.793032|2.442614|2.252751|2.320237|2.617007|1.976474|1.843166|7.455107|3.932143|0.053288|0.053659|0.057958|0.062963|0.065200|0.074167|0.079586|0.090019|0.113256|0.081646|0.094428|0.075687|0.066904|0.215227|0.136240|0.500000| |1.639695|1.842402|1.993378|2.287042|2.572872|2.277069|1.986792|4.074013|0.076427|0.088175|3.538850|4.041405|5.659413|8.991092|17.768185|8.828819|5.613854|4.973313|5.003382|3.401927|2.678651|4.311663|4.459368|3.049077|2.837336|2.618526|2.368031|2.290652|2.430098|2.706554|2.029830|1.945506|12.528827|7.511718|0.043234|0.043171|0.046098|0.049384|0.051532|0.056490|0.060452|0.066955|0.075322|0.060291|0.066255|0.056273|0.051264|0.109098|0.086647|0.218401|0.500000| |1.527645|1.735860|1.838028|2.148309|2.342610|2.147219|1.837437|3.886437|0.080580|0.082980|3.233189|4.293220|5.562467|4.909922|5.625606|8.993128|17.781275|8.784384|9.090307|4.591527|3.519919|6.092650|5.264720|6.609871|6.265280|4.640313|3.910099|3.940641|4.802508|6.435070|3.120706|2.907218|13.546907|4.891438|0.040744|0.040738|0.041654|0.048439|0.048380|0.049796|0.060377|0.061526|0.063487|0.060435|0.061279|0.049768|0.048337|0.085844|0.081922|0.106772|0.124013|0.500000| |1.809519|2.114393|2.189543|2.629407|2.814239|2.667985|2.212050|4.814672|0.113277|0.098616|3.686335|4.848941|4.459245|3.410048|3.142829|3.514639|4.673545|5.735409|12.608454|7.235311|7.158284|15.108158|8.945498|17.718601|8.920563|6.730746|4.618290|3.975825|4.337002|5.957528|3.051955|2.632665|5.370481|2.486790|0.048379|0.048600|0.047825|0.061501|0.057852|0.056721|0.078939|0.072471|0.070976|0.080475|0.073984|0.057238|0.058750|0.087631|0.097465|0.082455|0.074211|0.134474|0.500000| |1.658416|1.912589|2.019987|2.407899|2.561041|2.358472|1.991008|4.345562|0.096092|0.092689|3.388577|4.549586|4.833750|3.805385|3.724289|4.523345|6.608984|7.106956|12.556704|5.862735|4.817468|8.779210|6.752343|17.571639|8.903287|5.584657|4.192505|3.970245|4.791365|7.347229|3.043277|2.719967|6.934272|3.042172|0.044520|0.044237|0.044412|0.054637|0.053637|0.053302|0.070358|0.068309|0.066580|0.068797|0.065652|0.052567|0.052425|0.084420|0.086473|0.088460|0.086230|0.211346|0.302230|0.500000| |1.743001|2.010827|2.002686|2.323798|2.617040|2.644834|2.196395|4.295321|0.097978|0.082682|3.609713|4.491414|4.123356|3.270198|2.997970|3.253427|4.073490|4.862981|8.789710|5.924515|5.985850|13.540821|7.786111|6.999413|8.932278|17.750813|8.924444|5.616127|4.961087|5.670792|4.128803|3.271592|5.013426|2.383230|0.045790|0.047738|0.046395|0.057882|0.051933|0.052604|0.067830|0.062204|0.067321|0.079124|0.077433|0.057307|0.059989|0.086879|0.104428|0.080765|0.071882|0.113892|0.190604|0.140631|0.500000| |1.458694|1.634008|1.612458|1.805219|1.998360|2.045331|1.775650|3.106142|0.068101|0.060478|2.568712|2.967780|2.917476|2.539780|2.455581|2.681810|3.135533|3.318375|5.088864|3.420892|3.401617|7.024726|5.046024|4.092722|5.646803|8.963794|17.698100|8.909749|5.665296|4.981536|7.142507|4.812035|4.401530|2.156833|0.038487|0.040359|0.039154|0.046690|0.042203|0.042931|0.051949|0.048569|0.052716|0.059961|0.060174|0.047075|0.049249|0.065334|0.074666|0.064165|0.061169|0.091102|0.108689|0.096347|0.216209|0.500000| |1.236020|1.370485|1.399121|1.568889|1.674735|1.629493|1.441352|2.610838|0.055912|0.053451|2.086045|2.471456|2.652518|2.410814|2.536754|3.039069|3.580966|3.245292|4.590847|2.776371|2.568224|4.983107|3.905349|4.096522|5.636647|4.959171|5.657927|8.893059|17.726616|8.956945|6.921313|6.777580|5.486394|2.596757|0.033173|0.033673|0.033427|0.038889|0.037315|0.037580|0.044934|0.043669|0.044823|0.046924|0.046556|0.038682|0.039125|0.054703|0.056900|0.059259|0.063696|0.120118|0.100665|0.114389|0.107688|0.124154|0.500000| |1.394906|1.570617|1.631324|1.873882|1.991929|1.888500|1.640983|3.207434|0.069251|0.066988|2.543219|3.171322|3.471728|3.017881|3.162724|3.984065|5.265041|4.659220|6.786645|3.709551|3.275044|6.257986|4.830907|7.002883|8.911596|5.659359|4.980818|5.639606|8.957686|17.687887|4.100167|3.741060|6.877945|3.038079|0.037501|0.037608|0.037603|0.044655|0.043517|0.043564|0.054028|0.052766|0.052842|0.054570|0.053337|0.043804|0.043908|0.065704|0.067324|0.071781|0.076382|0.198259|0.154415|0.226616|0.124375|0.107972|0.217681|0.500000| |1.232686|1.356212|1.344886|1.480655|1.605576|1.628287|1.451902|2.439895|0.052549|0.048330|1.971657|2.225824|2.259989|2.059340|2.066547|2.281452|2.565298|2.550266|3.705045|2.467086|2.423524|4.819651|3.754152|3.016112|3.947198|4.738051|7.199183|8.794921|5.567589|4.172864|17.670223|9.232438|3.941222|1.974929|0.032797|0.034130|0.033268|0.038596|0.035587|0.036078|0.042372|0.040253|0.042891|0.047178|0.047388|0.038867|0.040289|0.051499|0.056296|0.052518|0.052815|0.076659|0.079802|0.076718|0.112888|0.220819|0.140212|0.096124|0.500000| |1.126037|1.233912|1.247500|1.375985|1.475128|1.455484|1.305432|2.249691|0.047632|0.045609|1.807828|2.068656|2.206045|2.071883|2.183519|2.513087|2.770794|2.549659|3.510535|2.242328|2.104018|4.028496|3.288095|2.883392|3.676397|3.698462|4.599334|6.783997|6.666330|4.554093|9.037837|17.714706|4.611534|2.304450|0.030154|0.030872|0.030604|0.034836|0.033222|0.033740|0.039072|0.038092|0.039871|0.041596|0.041958|0.035288|0.035739|0.048126|0.050088|0.052144|0.056383|0.086945|0.073184|0.078471|0.086059|0.114828|0.230004|0.113699|0.173867|0.500000| |1.086639|1.183632|1.184063|1.293479|1.387914|1.389651|1.255997|2.088841|0.044302|0.041936|1.673564|1.873484|1.953262|1.837892|1.899821|2.115659|2.300940|2.191423|3.056516|2.020414|1.943247|3.742359|3.074528|2.459121|3.052537|3.267833|4.183422|5.482610|4.622179|3.466285|9.119088|17.721679|3.811200|1.949105|0.029061|0.029986|0.029513|0.033467|0.031519|0.032012|0.036743|0.035533|0.037493|0.039792|0.040207|0.033934|0.034686|0.044544|0.047051|0.047042|0.049491|0.069675|0.064212|0.065580|0.079153|0.114793|0.137991|0.085942|0.221941|0.289677|0.500000| |1.271916|1.398768|1.488642|1.664392|1.788955|1.642142|1.472688|2.754371|0.054363|0.058988|2.245031|2.571384|3.185934|3.625726|4.905388|5.872088|4.433379|3.424405|3.816115|2.446790|2.055964|3.506510|3.363396|2.646921|2.635369|2.365272|2.253357|2.347510|2.606380|2.787706|2.135385|2.152833|17.021153|17.639520|0.034059|0.033884|0.035447|0.038185|0.039465|0.041607|0.045289|0.048316|0.050742|0.044735|0.047046|0.041127|0.038801|0.064549|0.057714|0.089358|0.146604|0.121894|0.064233|0.078520|0.061565|0.057254|0.072524|0.082340|0.053956|0.065227|0.054674|0.500000| |1.398688|1.546798|1.670314|1.883124|2.030972|1.823701|1.628626|3.143391|0.060782|0.068455|2.566151|2.920123|3.731696|4.584608|6.728574|6.973577|4.740995|3.787992|4.080256|2.673401|2.204085|3.667129|3.654002|2.708542|2.577163|2.317431|2.149977|2.170378|2.376137|2.611521|1.951292|1.924147|16.432082|17.551557|0.037392|0.036958|0.039167|0.041890|0.044106|0.047043|0.050623|0.055396|0.058355|0.049120|0.052098|0.045774|0.042426|0.075491|0.064442|0.113622|0.227317|0.119341|0.066132|0.080148|0.061747|0.054981|0.064542|0.076646|0.050038|0.057106|0.049026|0.300225|0.500000| 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