Version2.1 2020-12-18T10:07:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@H]2c3cccn3CC[NH+]2CC(=O)NC(c4ccccc4)c5ccccc5 C35523107 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@H]2c3cccn3CC[NH+]2CC(=O)NC(c4ccccc4)c5ccccc5 C01[X(C29H30N3O1)] 183 C1 555 Cc1ccc(cc1)[C@@H]1[NH+](CCn2c1ccc2)CC(=O)NC(c1ccccc1)c1ccccc1 Cc1ccc(cc1)[C@@H]1[NH+](CCn2c1ccc2)CC(=O)NC(c1ccccc1)c1ccccc1 Cc1ccc(cc1)[C@@H]2[NH+](CCn3cccc23)CC(=O)NC(c4ccccc4)c5ccccc5 InChIKey=SNYRWCAKAYMUPQ-LJAQVGFWSA-O InChI=1S/C29H29N3O/c1-22-14-16-25(17-15-22)29-26-13-8-18-31(26)19-20-32(29)21-27(33)30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-18,28-29H,19-21H2,1H3,(H,30,33)/p+1/t29-/m0/s1 InChI=1/C29H29N3O/c1-22-14-16-25(17-15-22)29-26-13-8-18-31(26)19-20-32(29)21-27(33)30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-18,28-29H,19-21H2,1H3,(H,30,33)/p+1/t29-/m0/s1/fC29H30N3O/h30,32H/q+1 Cc1ccc(cc1)[C@H]2c3cccn3CC[NH+]2CC(=O)NC(c4ccccc4)c5ccccc5 C01[X(C29H30N3O1)] 183 C01 555 Cc1ccc(cc1)[C@@H]1[NH+](CCn2c1ccc2)CC(=O)NC(c1ccccc1)c1ccccc1 O=[C]([NH]C([C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1)C[NH]1CCN2C(=[CH][CH]=C2)[C@@H]1[C]1[CH][CH][C]([CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)[C@@H]2[NH](CCn3cccc23)CC(=O)NC([C]4[CH][CH][CH][CH][CH]4)[C]5[CH][CH][CH][CH][CH]5 InChIKey=VJAOGTDULAOVHX-LJAQVGFWSA-N InChI=1S/C29H30N3O/c1-22-14-16-25(17-15-22)29-26-13-8-18-31(26)19-20-32(29)21-27(33)30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-18,28-29,32H,19-21H2,1H3,(H,30,33)/t29-/m0/s1 InChI=1/C29H30N3O/c1-22-14-16-25(17-15-22)29-26-13-8-18-31(26)19-20-32(29)21-27(33)30-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-18,28-29,32H,19-21H2,1H3,(H,30,33)/t29-/m0/s1/f/h30H 3190.1815891101 -1353.6827595 1-A 18512.6152 116 439 555 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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| 9.1706 14.1940 18.0635 27.8124 32.6759 38.2224 42.5669 55.1686 58.7444 64.2249 67.9141 89.3077 95.4691 136.2008 159.6171 175.4892 204.2749 217.6656 246.6156 253.1055 260.2091 262.3820 299.4877 315.1231 328.3831 359.9663 369.0227 385.4741 437.7618 440.8017 453.3374 455.3961 458.6008 498.0169 522.3846 531.8318 537.6929 572.0464 597.4033 608.9306 644.5845 648.8342 657.0259 675.3547 678.1677 679.7376 683.7084 701.4073 714.8660 751.5236 774.0921 779.8931 785.4787 795.6400 832.6025 835.8839 845.9668 859.9819 877.1368 906.1822 907.8764 924.5473 937.5040 953.7287 955.8451 956.6026 959.4321 962.1606 987.5540 1000.3142 1027.5207 1040.9283 1043.2253 1052.1787 1069.4602 1089.6527 1089.8778 1091.2569 1096.7652 1099.2298 1102.7893 1108.5701 1109.2196 1116.0772 1122.9549 1127.1117 1131.6429 1134.7422 1137.8336 1142.7758 1154.7219 1175.5381 1176.3373 1187.4107 1188.0678 1206.3623 1211.4823 1214.9996 1216.2100 1224.0892 1259.3740 1294.6260 1297.7765 1305.0223 1306.8386 1310.7195 1314.4196 1317.1668 1331.7511 1340.0417 1342.8667 1352.0199 1358.9854 1364.6668 1393.8404 1409.2387 1434.8255 1435.9441 1449.8183 1456.7837 1469.4351 1490.7487 1495.7728 1507.3656 1522.9452 1526.8836 1551.2325 1566.8826 1569.6297 1581.2204 1587.3681 1597.6793 1618.2704 1623.7545 1626.9218 1629.3085 1633.4206 1635.2337 1637.5501 1648.5808 1670.6862 1670.8194 1672.5525 1691.5116 1717.4817 1758.7786 1771.0085 1784.7478 1786.8613 1808.1323 1811.6766 1816.7935 1928.1865 3214.3690 3220.1070 3242.5706 3272.7694 3276.2595 3283.2953 3289.1518 3294.2958 3298.0086 3345.6487 3352.8176 3352.9085 3354.4352 3354.8074 3359.4758 3359.6641 3369.2232 3372.3825 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9.6493 0.6182 0.1698 4.1957 1.1776 6.5569 4.0196 13.0396 29.5116 26.9382 2.8342 36.9851 15.2122 61.9470 48.8515 1.1998 37.7446 0.4507 57.3861 1.1134 22.2021 0.8775 0.7310 4.2190 0.0651 21.9201 39.6706 0.3008 0.7245 21.5721 6.6949 3.7750 1.6227 1.3150 1.4268 0.0456 7.2765 0.0392 0.3376 0.1153 3.0350 14.1019 1.1734 2.6014 0.4047 1.2373 6.2366 20.7895 36.1597 9.3785 0.1002 5.7199 4.8082 2.0369 0.4192 3.8866 6.2507 27.7114 10.9926 16.9222 0.2009 1.9068 5.2506 3.8762 2.6326 28.8634 12.1053 3.8186 18.7996 4.1526 33.5520 76.0258 34.9171 51.7419 5.9948 21.9692 10.3937 8.7320 19.5950 1.9030 153.4825 8.6013 39.7824 77.8741 35.0398 12.8769 25.2317 78.3786 11.6595 14.4631 11.3108 164.6544 6.8103 13.0522 17.7267 17.8631 22.8827 13.1045 5.7184 16.4985 13.9376 576.5673 3.6574 0.1454 6.1247 1.0627 1.8611 1.4145 26.5744 338.3398 20.9073 26.4042 10.3627 15.9882 2.4257 9.8920 2.5417 12.3692 16.5601 5.1020 10.0932 1.8412 10.5728 14.8326 5.0558 9.4910 0.2023 10.8911 10.1525 14.7275 30.6457 6.4810 23.6539 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47.01 54.99 61.24 79.38 84.52 92.41 97.71 128.49 137.36 195.96 229.65 252.49 293.91 313.17 354.82 364.16 374.38 377.51 430.90 453.39 472.47 517.91 530.94 554.61 629.84 634.22 652.25 655.21 659.82 716.54 751.59 765.19 773.62 823.05 859.53 876.12 927.41 933.53 945.31 971.68 975.73 977.99 983.70 1009.17 1028.53 1081.27 1113.75 1122.09 1130.13 1144.75 1197.93 1202.65 1217.16 1237.32 1262.00 1303.79 1306.23 1330.22 1348.86 1372.20 1375.25 1376.34 1380.41 1384.33 1420.87 1439.23 1478.37 1497.66 1500.97 1513.85 1538.71 1567.77 1568.09 1570.08 1578.00 1581.55 1586.67 1594.99 1595.92 1605.79 1615.68 1621.66 1628.18 1632.64 1637.09 1644.20 1661.39 1691.34 1692.49 1708.42 1709.36 1735.69 1743.05 1748.11 1749.85 1761.19 1811.96 1862.68 1867.21 1877.64 1880.25 1885.83 1891.16 1895.11 1916.09 1928.02 1932.09 1945.26 1955.28 1963.45 2005.43 2027.58 2064.39 2066.00 2085.97 2095.99 2114.19 2144.85 2152.08 2168.76 2191.18 2196.84 2231.88 2254.39 2258.35 2275.02 2283.87 2298.70 2328.33 2336.22 2340.78 2344.21 2350.13 2352.74 2356.07 2371.94 2403.74 2403.94 2406.43 2433.71 2471.07 2530.49 2548.09 2567.85 2570.89 2601.50 2606.60 2613.96 2774.23 4624.76 4633.02 4665.34 4708.79 4713.81 4723.93 4732.36 4739.76 4745.10 4813.64 4823.96 4824.09 4826.28 4826.82 4833.54 4833.81 4847.56 4852.11 4862.39 4862.62 4866.32 4867.83 4878.14 4885.85 4889.46 4942.15 4957.05 4976.81 5210.02 5553.05 0.573851 0.600712 0.601656 0.509899 -1353.108909 -1353.082047 -1353.081103 -1353.172861 3.077578D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE Cc1ccc(cc1)[C@H]2c3cccn3CC[NH+]2CC(=O)NC(c4ccccc4)c5ccccc5 C35523107 RHF 6-31G(d) (6D,10F) C1 436.238888 |X|Y|Z| 72.743495 111.426960 28.371891 61.266665 31 6 7 28 3 |36.858105| |12.619271|36.858105| |7.537073|13.738498|36.858105| |5.005942|7.892084|13.727036|36.858105| |4.413283|6.786507|7.904908|13.746914|36.858105| |5.017291|7.880800|6.893091|7.964264|13.663163|36.858105| |7.554173|13.647345|7.982428|6.907416|7.916653|13.815203|36.858105| |3.268203|4.410351|5.022902|7.590128|12.595575|7.515304|5.012795|36.858105| |3.042544|3.987764|4.821165|7.426958|8.943901|5.586319|4.199505|17.572039|0.500000| |2.892585|3.718582|3.981663|5.264557|7.536255|6.161030|4.334344|12.670369|0.247429|36.858105| |2.912521|3.666749|3.842378|4.765547|6.169115|5.561932|4.224483|7.354369|0.170731|14.030103|36.858105| |2.423679|2.907318|2.986799|3.523303|4.290962|4.088356|3.307756|5.126793|0.126843|8.511796|13.383064|36.858105| |2.229439|2.664357|2.748951|3.277101|4.036465|3.800088|3.037424|5.214293|0.129247|8.569032|8.518974|14.055604|36.858105| |2.418276|2.969993|3.119564|3.888471|5.051635|4.505970|3.415769|7.585501|0.177571|13.857778|8.593876|8.608956|13.947412|53.358707| |2.242111|2.712717|2.830730|3.465432|4.392291|4.001795|3.105459|6.359288|0.154421|7.675321|5.312614|5.304259|7.631723|17.993844|36.858105| |2.377288|2.916810|3.134711|3.961540|4.964046|4.225568|3.267042|7.630423|0.196123|6.782236|4.597056|4.156944|5.112891|10.745505|12.571495|36.858105| |2.910025|3.749132|4.053181|5.400515|7.586253|6.049258|4.318674|12.445676|0.255382|7.751445|5.062235|4.136754|4.613780|9.283474|7.698678|12.694318|53.358707| |2.972897|3.807702|3.885923|4.872394|7.032890|6.651463|4.640133|9.088626|0.181215|7.041600|4.886292|4.081645|4.541013|8.723152|7.367194|9.349754|25.571313|0.500000| |2.955125|3.744986|4.142596|5.325779|6.348268|5.153468|4.072778|7.511688|0.196444|4.991661|3.764116|3.160889|3.405080|6.106883|5.034990|7.744700|17.449986|0.265276|36.858105| |2.698553|3.265300|3.385333|3.954540|4.625571|4.339578|3.627996|5.035022|0.127609|3.930635|3.122266|2.746195|2.993078|5.131862|4.457453|6.144003|10.670617|0.225708|12.440929|36.858105| |2.620699|3.145472|3.136404|3.596249|4.388642|4.424674|3.650911|4.787334|0.115408|4.020506|3.207365|2.874615|3.177500|5.414225|4.844227|6.080051|10.038696|0.258459|8.091345|15.801953|73.516695| |2.499962|2.917093|3.038948|3.408998|3.708608|3.494538|3.107084|3.876304|0.103574|3.129784|2.594055|2.317996|2.494607|4.112699|3.483097|4.544691|7.117665|0.144395|7.849757|14.356301|15.021401|53.358707| |2.239239|2.522780|2.552154|2.757889|2.978521|2.932357|2.694353|3.059015|0.081185|2.612184|2.231181|2.040793|2.193472|3.502961|2.959251|3.587405|5.312626|0.112647|4.977167|7.749668|11.928161|17.604967|36.858105| |2.188435|2.400295|2.433661|2.553051|2.647870|2.604129|2.482763|2.635800|0.071285|2.258470|1.975542|1.804577|1.905199|2.984338|2.437925|2.889955|4.303595|0.089374|3.990631|5.233097|8.051701|10.685908|12.492508|36.858105| |2.378235|2.556401|2.538911|2.580117|2.641425|2.660099|2.620189|2.530978|0.067800|2.172502|1.929825|1.750796|1.819602|2.821551|2.249993|2.609453|3.998395|0.084196|3.625697|4.519903|7.212518|8.091383|7.586527|13.690924|36.858105| |2.242492|2.345003|2.337405|2.328350|2.324743|2.330818|2.343899|2.210414|0.059998|1.918747|1.732504|1.578120|1.625613|2.486510|1.952734|2.231858|3.376517|0.070161|2.988304|3.473313|5.599824|5.870828|5.019516|7.897307|13.768129|36.858105| |1.987582|2.078257|2.108791|2.121447|2.101349|2.069678|2.061167|2.034678|0.056091|1.778349|1.609019|1.476730|1.526473|2.325277|1.830604|2.093924|3.092358|0.063241|2.722375|3.090170|4.944833|5.245873|4.418822|6.834826|7.942699|13.739982|36.858105| |1.872799|1.991544|2.047093|2.105792|2.103757|2.042224|1.991777|2.086830|0.057987|1.823540|1.634392|1.507752|1.574994|2.412326|1.926197|2.229090|3.225115|0.065305|2.865447|3.289628|5.188079|5.788305|4.983637|7.909511|6.893571|7.950870|13.763019|36.858105| |1.949260|2.115692|2.177650|2.285739|2.329198|2.252627|2.152810|2.349593|0.064919|2.036894|1.796737|1.656093|1.749427|2.714426|2.209693|2.604785|3.752880|0.076158|3.411072|4.134871|6.391223|7.874361|7.463643|13.716210|7.955016|6.875590|7.927058|13.735466|36.858105| |1.928272|2.156734|2.190976|2.386654|2.591177|2.535273|2.308498|2.758049|0.073944|2.440998|2.091818|1.959889|2.144025|3.390261|2.941845|3.495857|4.772704|0.100267|4.156104|5.890652|9.987115|10.420935|12.504682|7.418051|5.042526|3.863779|3.682948|4.358623|6.329894|36.858105| |1.776471|1.955253|1.953627|2.094365|2.276435|2.279287|2.104443|2.395659|0.063678|2.184294|1.907585|1.813546|1.979175|3.059904|2.628743|2.965652|4.017398|0.086207|3.305096|4.413817|8.152725|6.968474|7.609400|5.749314|4.415639|3.528371|3.359115|3.844237|5.092457|13.703285|36.858105| |1.586333|1.736250|1.741575|1.869426|2.024981|2.016839|1.861466|2.157624|0.057845|2.010591|1.771610|1.711707|1.880252|2.865371|2.467988|2.716230|3.551036|0.075343|2.827259|3.545452|6.571221|5.332137|5.027693|4.182387|3.386049|2.876150|2.830101|3.245708|4.043471|7.902208|13.772114|36.858105| |1.522821|1.675203|1.703298|1.848382|1.994290|1.949742|1.784071|2.166280|0.058925|2.025143|1.777010|1.727056|1.914137|2.921831|2.543144|2.820677|3.562593|0.073884|2.823690|3.417694|6.160123|5.093363|4.416883|3.717069|2.991550|2.592861|2.610548|3.049457|3.767411|6.826727|7.934890|13.737588|36.858105| |1.614189|1.795609|1.852560|2.038781|2.194559|2.101674|1.902243|2.422086|0.066744|2.223969|1.922469|1.851666|2.061945|3.205029|2.823827|3.265186|4.056584|0.082148|3.299465|3.979719|6.846082|6.065690|4.976949|4.071333|3.164022|2.716044|2.752842|3.287039|4.193932|7.901351|6.893928|7.960364|13.770836|36.858105| |1.816591|2.042096|2.115177|2.342245|2.526940|2.405078|2.164914|2.775606|0.076218|2.466975|2.100471|1.982994|2.194921|3.485305|3.072885|3.728783|4.800900|0.096917|4.144073|5.357030|8.704702|8.919899|7.449275|5.476226|3.957474|3.246465|3.233495|3.914884|5.406448|13.729462|7.970147|6.890927|7.930810|13.729734|36.858105| |17.564750|8.853425|5.788587|4.259168|3.956805|4.636654|6.849466|3.022305|0.077561|2.682992|2.659613|2.255423|2.107953|3.116465|2.163875|2.296686|3.811482|0.080868|2.884630|2.726351|4.749004|3.474844|2.327332|2.293596|2.544715|2.403649|2.096018|1.949076|2.021636|1.985014|1.841744|1.633781|1.552840|1.634794|1.843999|0.500000| |17.552096|8.871381|5.983619|4.341089|3.969872|4.571380|6.605574|3.031030|0.078232|2.790072|2.899253|2.437860|2.206779|3.191441|2.146481|2.226668|3.636015|0.076115|2.640268|2.423546|4.250064|3.043024|2.024374|1.966792|2.116776|2.001659|1.791331|1.697628|1.765841|1.773039|1.649229|1.486706|1.430067|1.507646|1.678584|0.302290|0.500000| |17.596264|8.839706|7.214547|4.733963|3.947699|4.169179|5.572675|3.018809|0.080432|2.652949|2.660322|2.234676|2.066885|3.049011|2.088269|2.235789|3.670941|0.075068|2.794882|2.535773|4.302885|3.261501|2.145846|2.132239|2.318084|2.224671|1.992120|1.870658|1.924606|1.852320|1.700946|1.523970|1.470196|1.563648|1.757318|0.301527|0.301850|0.500000| |6.970015|8.919555|17.722255|8.942151|5.642555|4.962962|5.658639|4.105910|0.114970|3.362783|3.287458|2.641125|2.441261|3.710385|2.499263|2.766397|4.664952|0.090373|3.590105|2.988765|4.879173|3.774763|2.359689|2.301176|2.409106|2.267364|2.069898|2.000223|2.094681|2.039731|1.823743|1.635451|1.605689|1.746077|1.981829|0.148374|0.155891|0.220355|0.500000| |4.090170|5.635744|8.939653|17.694003|8.901973|5.646732|4.968168|7.033572|0.229373|4.936921|4.432684|3.371944|3.179507|5.134482|3.386289|3.955904|6.937081|0.121562|5.182448|3.750071|5.921667|4.509776|2.662976|2.485144|2.470594|2.251919|2.090234|2.098499|2.271088|2.337714|2.036653|1.833136|1.835712|2.045728|2.341896|0.098521|0.100825|0.112904|0.217112|0.500000| |4.102785|5.630773|4.962084|5.647153|8.859860|17.704235|8.976369|6.924589|0.139675|6.517437|5.797935|4.444546|4.222438|6.802163|4.468961|4.458997|8.404636|0.209892|4.891020|4.379316|8.511690|4.690959|2.954563|2.564685|2.593447|2.251175|2.000320|1.986133|2.209329|2.599240|2.367078|2.101430|2.021768|2.159745|2.452538|0.109678|0.107764|0.096095|0.107689|0.123822|0.500000| |7.017281|8.896125|5.663555|4.969584|5.643264|8.972233|17.713295|4.090889|0.096438|3.751987|3.731616|3.062407|2.824850|4.212935|2.854917|2.929854|5.060117|0.114048|3.506526|3.297817|6.084805|3.900612|2.568745|2.376133|2.536760|2.278170|1.991431|1.910429|2.055210|2.215966|2.057539|1.823461|1.731063|1.821232|2.055302|0.198076|0.184554|0.140794|0.124202|0.107777|0.217884|0.500000| |3.263727|4.149387|4.355559|5.263081|6.414137|5.863407|4.674202|6.427981|0.155551|8.785943|17.797714|8.523368|5.823167|7.974107|4.164828|3.847373|5.992912|0.118511|3.491417|2.901928|5.224708|3.343411|2.121472|1.910332|1.890863|1.712959|1.587227|1.597977|1.739259|1.965829|1.796655|1.662681|1.659043|1.788772|1.959438|0.080742|0.091710|0.082427|0.102842|0.132791|0.157909|0.112758|0.500000| |2.275915|2.659940|2.702608|3.079173|3.592231|3.510629|2.978868|4.037179|0.102951|5.820514|8.527779|17.801817|8.791673|7.985354|4.157532|3.378251|4.577359|0.092970|2.691337|2.386069|4.433383|2.796731|1.836479|1.643098|1.603240|1.458049|1.368375|1.392190|1.516852|1.770536|1.655077|1.572171|1.584152|1.684204|1.787660|0.058837|0.064567|0.058516|0.067474|0.082186|0.104720|0.078108|0.195776|0.500000| |1.990847|2.329389|2.387273|2.782763|3.325932|3.186021|2.628402|4.148502|0.106001|5.892353|5.789250|8.633426|17.796224|12.220836|6.869396|4.556099|5.347739|0.108656|3.024416|2.747369|5.226055|3.168114|2.083555|1.810191|1.719766|1.540796|1.454970|1.507556|1.673961|2.075352|1.937994|1.867473|1.912915|2.044827|2.138715|0.052787|0.054836|0.051565|0.059732|0.075629|0.098209|0.069070|0.122970|0.197174|0.500000| |1.996976|2.364974|2.477086|2.971777|3.577925|3.271559|2.645844|4.876749|0.127834|5.745806|4.445504|4.739815|6.930808|12.489753|17.603890|8.961608|7.624367|0.146772|4.165578|3.796170|7.185271|4.244498|2.713541|2.262686|2.072483|1.817562|1.725499|1.829341|2.090047|2.780858|2.512475|2.418630|2.545089|2.826462|2.979681|0.053613|0.053392|0.052196|0.061962|0.082393|0.099234|0.068307|0.099511|0.107798|0.199059|0.500000| |2.232184|2.675938|2.710570|3.221592|4.110657|4.009346|3.135687|5.413998|0.126891|6.333083|4.750729|4.811900|6.567287|12.385225|17.537561|8.889753|9.275084|0.212135|4.699560|4.538658|9.506202|4.779625|3.071465|2.492355|2.310611|1.988327|1.847299|1.934856|2.228070|3.067852|2.797479|2.617668|2.647166|2.873468|3.117382|0.060634|0.059504|0.057199|0.066218|0.085231|0.130482|0.081978|0.106485|0.108273|0.173039|0.301870|0.500000| |2.291392|2.793952|3.094845|3.961934|4.673318|3.802130|3.022278|7.182657|0.220015|6.252618|4.418673|3.993404|4.790266|9.482998|8.816569|17.614446|12.415033|0.182075|6.904922|5.151428|8.466146|5.623019|3.261096|2.720165|2.453682|2.136231|2.034006|2.176676|2.515054|3.192974|2.701532|2.507135|2.650056|3.109100|3.505800|0.060858|0.059652|0.060755|0.077301|0.115651|0.106825|0.074653|0.104422|0.091230|0.119104|0.217014|0.173609|0.500000| |2.218627|2.665060|2.821022|3.431322|4.135915|3.693754|2.967287|5.574486|0.146130|4.974453|3.689661|3.435547|4.150365|7.748979|8.888847|17.659756|12.341211|0.221127|7.423892|7.066584|12.623730|7.123759|4.154261|3.207454|2.809529|2.367506|2.229547|2.411400|2.883615|4.218105|3.493318|3.190941|3.355113|3.983256|4.625466|0.060433|0.057537|0.058184|0.070066|0.094872|0.108775|0.075361|0.088637|0.080316|0.108099|0.210505|0.219491|0.299311|0.500000| |3.476202|4.565804|5.217743|6.823654|7.630007|5.949943|4.812875|7.350969|0.192625|4.724744|3.726619|3.044371|3.148707|5.446108|4.172164|5.661175|12.342565|0.212524|17.649529|8.865002|11.426942|9.214701|4.545358|3.904707|3.737788|3.124442|2.799953|2.867023|3.317088|3.655436|2.985412|2.549842|2.510994|2.870055|3.542163|0.093592|0.083940|0.091439|0.122548|0.176932|0.144403|0.110695|0.099923|0.072846|0.077049|0.097357|0.109700|0.147608|0.146366|0.500000| |2.656879|3.277175|3.727511|4.760742|5.208402|4.157153|3.424690|6.399988|0.193408|4.499949|3.465853|2.973351|3.226233|5.699843|4.725128|7.476364|12.322358|0.184753|17.623510|8.700787|10.750988|9.646205|4.615544|3.832579|3.386389|2.861981|2.690895|2.897404|3.443700|4.053140|3.180828|2.780558|2.860439|3.443779|4.312344|0.071492|0.066478|0.071308|0.093278|0.139184|0.109210|0.082786|0.089365|0.070922|0.080704|0.114386|0.117483|0.216498|0.203509|0.300689|0.500000| |2.504001|2.909679|3.115315|3.494007|3.637788|3.321254|2.998612|3.765807|0.104531|2.996289|2.506532|2.226982|2.371834|3.885616|3.211671|4.205265|6.551977|0.126269|7.485409|9.449756|10.833160|26.026763|8.964112|7.544746|5.798232|4.450582|4.111998|4.613976|6.165768|6.163726|4.325558|3.468382|3.408902|4.117286|5.846488|0.070428|0.061819|0.067797|0.080422|0.096821|0.088519|0.075877|0.066616|0.055063|0.061315|0.080910|0.087545|0.111785|0.129633|0.192021|0.211276|0.500000| |2.337883|2.627383|2.588906|2.763609|3.041685|3.105891|2.869987|3.064979|0.079277|2.652276|2.279018|2.085283|2.232592|3.544935|2.976724|3.496257|5.297054|0.117700|4.714296|7.425715|13.346248|12.658124|17.636930|8.965417|7.347174|4.807664|4.010617|4.221390|5.647418|9.005354|7.282818|4.797759|4.021007|4.251353|5.711610|0.068364|0.058808|0.061376|0.065738|0.072542|0.088493|0.077329|0.060259|0.052187|0.058840|0.074880|0.088085|0.086229|0.110636|0.122168|0.115434|0.184129|0.500000| |2.615392|2.816768|2.728899|2.746112|2.853042|2.953561|2.938295|2.680031|0.070410|2.299805|2.045000|1.844772|1.908603|2.961952|2.348711|2.697520|4.233863|0.091362|3.781657|4.788211|7.929435|7.946714|7.080501|8.900311|17.695047|8.939395|5.650954|4.960959|5.649614|4.680537|4.212279|3.232871|2.829543|2.957556|3.654622|0.079023|0.064314|0.069693|0.070844|0.071496|0.080355|0.079928|0.055787|0.046851|0.049865|0.059366|0.067779|0.069362|0.079932|0.110046|0.094466|0.149326|0.224242|0.500000| |2.322167|2.375189|2.332318|2.274183|2.254143|2.291429|2.354600|2.106876|0.056936|1.841356|1.681463|1.529858|1.562065|2.370334|1.838410|2.072302|3.156610|0.065969|2.736523|3.104942|5.107279|4.990156|4.101873|5.630463|8.928755|17.722406|8.906257|5.649842|4.953804|3.252085|3.047125|2.538499|2.292408|2.374532|2.776428|0.070148|0.057481|0.064181|0.063192|0.060599|0.061238|0.064242|0.046538|0.039455|0.041067|0.047453|0.052106|0.055086|0.060283|0.080725|0.072147|0.104017|0.114219|0.216016|0.500000| |1.883387|1.940561|1.968092|1.959660|1.922931|1.895817|1.906138|1.854324|0.051324|1.634800|1.493917|1.375373|1.414155|2.135719|1.666297|1.885064|2.770022|0.056509|2.395174|2.648758|4.289248|4.336488|3.537061|4.932729|5.647629|8.907847|17.724568|8.915604|5.640643|3.063550|2.857303|2.482437|2.314063|2.418503|2.761993|0.055144|0.047373|0.052870|0.054237|0.053818|0.050777|0.051343|0.041134|0.035599|0.037508|0.043832|0.046589|0.051196|0.055248|0.068794|0.066084|0.094345|0.091197|0.124257|0.214588|0.500000| |1.717781|1.818844|1.880661|1.937535|1.925951|1.858413|1.810753|1.925627|0.053967|1.698303|1.530351|1.420613|1.484452|2.259019|1.799449|2.068345|2.944289|0.059179|2.573532|2.878858|4.578607|4.900465|4.066969|5.638173|4.963168|5.650130|8.918437|17.723153|8.927546|3.805916|3.426104|3.028778|2.923655|3.148843|3.603454|0.049322|0.043551|0.047904|0.051420|0.054136|0.050240|0.048236|0.041563|0.036577|0.039645|0.047938|0.049937|0.056710|0.061976|0.071108|0.073467|0.108897|0.096995|0.107668|0.124143|0.214868|0.500000| |1.823487|1.991545|2.065724|2.199191|2.255034|2.158449|2.035359|2.327405|0.064825|2.033282|1.785710|1.659148|1.769061|2.747534|2.264639|2.681742|3.747831|0.075288|3.369779|4.048629|6.275742|7.556379|6.882170|8.896511|5.647473|4.955070|5.651309|8.941626|17.734601|7.044161|5.449073|4.507486|4.411219|5.143056|6.703027|0.052042|0.046231|0.049975|0.055161|0.061303|0.059185|0.053826|0.047666|0.042171|0.047311|0.060218|0.063096|0.072482|0.083790|0.088433|0.097053|0.163704|0.141902|0.124019|0.107569|0.124307|0.216391|0.500000| |1.817677|1.982365|1.952164|2.063448|2.241732|2.288157|2.142411|2.309993|0.060812|2.112147|1.862821|1.766234|1.907845|2.926559|2.470883|2.741702|3.815269|0.083250|3.115071|4.141496|7.845704|6.419131|7.110215|5.766981|4.771624|3.768960|3.464391|3.792796|4.825006|8.906880|17.702774|8.941965|5.648722|4.961742|5.656891|0.052900|0.046861|0.048147|0.050557|0.055147|0.066182|0.058884|0.049067|0.044965|0.051726|0.064952|0.073738|0.069078|0.087469|0.080091|0.081514|0.110775|0.218589|0.130433|0.091490|0.081843|0.092274|0.133089|0.500000| |1.499074|1.625540|1.617933|1.721039|1.860512|1.872329|1.743851|1.964905|0.052513|1.854371|1.654166|1.609062|1.758743|2.642750|2.246969|2.414555|3.173256|0.067770|2.482098|3.040711|5.718959|4.470694|4.110180|3.587750|3.049890|2.651907|2.604119|2.913894|3.471975|5.634794|8.937084|17.724301|8.908396|5.654440|4.961874|0.043023|0.039236|0.039969|0.042298|0.046719|0.054382|0.047879|0.043268|0.041349|0.048769|0.061367|0.066615|0.062022|0.077189|0.063100|0.067376|0.081793|0.113750|0.081938|0.066169|0.064469|0.076224|0.104203|0.216267|0.500000| |1.406953|1.538944|1.564301|1.692079|1.818586|1.779197|1.634383|1.976453|0.053968|1.874609|1.661850|1.631721|1.808558|2.722385|2.349699|2.547914|3.187719|0.065898|2.477788|2.899634|5.251291|4.224771|3.535900|3.090533|2.572827|2.284118|2.316850|2.671447|3.171449|4.928581|5.644051|8.903185|17.725763|8.914120|5.640795|0.039758|0.036915|0.037800|0.041130|0.046818|0.051290|0.044183|0.043117|0.041850|0.050667|0.066308|0.067730|0.067190|0.082685|0.061756|0.070038|0.080018|0.091400|0.068000|0.056867|0.058038|0.072474|0.101520|0.124230|0.214531|0.500000| 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