Version2.1 2020-12-14T23:20:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(n1)[C@H]2c3c(c4ccccc4[nH]3)CC[NH+]2Cc5cnn(c5)c6ccc(cc6)F C12320289 RHF 6-31G(d) (6D,7F) Cc1cccc(n1)[C@H]2c3c(c4ccccc4[nH]3)CC[NH+]2Cc5cnn(c5)c6ccc(cc6)F C01[X(C27H25F1N5)] 168 C1 545 Fc1ccc(cc1)n1ncc(c1)C[NH+]1CCc2c([C@@H]1c1cccc(n1)C)[nH]c1c2cccc1 Fc1ccc(cc1)n1ncc(c1)C[NH+]1CCc2c([C@@H]1c1cccc(n1)C)[nH]c1c2cccc1 Cc1cccc(n1)[C@@H]2[NH+](CCc3c2[nH]c4ccccc34)Cc5cnn(c5)c6ccc(F)cc6 InChIKey=BOSNPFUJYXJNDI-MHZLTWQESA-O InChI=1S/C27H24FN5/c1-18-5-4-8-25(30-18)27-26-23(22-6-2-3-7-24(22)31-26)13-14-32(27)16-19-15-29-33(17-19)21-11-9-20(28)10-12-21/h2-12,15,17,27,31H,13-14,16H2,1H3/p+1/t27-/m0/s1 InChI=1/C27H24FN5/c1-18-5-4-8-25(30-18)27-26-23(22-6-2-3-7-24(22)31-26)13-14-32(27)16-19-15-29-33(17-19)21-11-9-20(28)10-12-21/h2-12,15,17,27,31H,13-14,16H2,1H3/p+1/t27-/m0/s1/fC27H25FN5/h32H/q+1 Cc1cccc(n1)[C@H]2c3c(c4ccccc4[nH]3)CC[NH+]2Cc5cnn(c5)c6ccc(cc6)F C01[X(C27H25F1N5)] 168 C01 545 Fc1ccc(cc1)n1ncc(c1)C[NH+]1CCc2c([C@@H]1c1cccc(n1)C)[nH]c1c2cccc1 C[C]1[CH][CH][CH][C]([N]1)[C@@H]1[NH](CC[C]2=C1N[C]1[C]2[CH][CH][CH][CH]1)C[C]1[CH][N][N@]([CH]1)[C]1[CH][CH][C]([CH][CH]1)F C[C]1[CH][CH][CH][C]([N]1)[C@@H]2[NH](CCC3=C2N[C]4[CH][CH][CH][CH][C]34)C[C]5[CH][N]N([CH]5)[C]6[CH][CH][C](F)[CH][CH]6 InChIKey=RQWVOTQKSQDYPM-MHZLTWQESA-N InChI=1S/C27H25FN5/c1-18-5-4-8-25(30-18)27-26-23(22-6-2-3-7-24(22)31-26)13-14-32(27)16-19-15-29-33(17-19)21-11-9-20(28)10-12-21/h2-12,15,17,27,31-32H,13-14,16H2,1H3/t27-/m0/s1 InChI=1/C27H25FN5/c1-18-5-4-8-25(30-18)27-26-23(22-6-2-3-7-24(22)31-26)13-14-32(27)16-19-15-29-33(17-19)21-11-9-20(28)10-12-21/h2-12,15,17,27,31-32H,13-14,16H2,1H3/t27-/m0/s1 3120.8303026135 -1408.486912 1-A 21156.7250 115 430 545 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13.5138 9.6326 4.4476 7.4340 4.0933 0.6371 3.1134 10.7314 20.4733 3.4920 20.9674 2.6751 3.6341 1.2274 0.0612 3.2787 0.6276 81.2747 85.3670 2.1575 0.2872 4.7828 7.7290 3.5116 2.7578 3.5743 6.1288 1.2220 1.7134 0.7831 2.7540 0.9209 1.6222 1.5128 2.8415 0.6228 1.2818 3.9686 0.2408 2.5286 1.2166 1.4295 1.9746 0.5368 1.6878 4.0151 0.4375 2.4709 3.2151 0.8610 0.6157 0.5079 1.1080 0.3345 3.1188 3.1339 5.4340 1.2292 1.4332 0.2569 6.8988 0.7178 1.1652 2.0136 4.6881 1.5645 8.2269 1.8520 2.6451 2.8584 4.5196 5.2232 6.6768 2.1236 1.2725 9.3538 7.3896 24.1171 5.0983 3.3411 15.7718 0.5523 2.3353 1.5311 6.0209 2.7959 1.3749 0.6015 4.3242 24.8001 15.4821 3.1676 0.0208 12.1456 14.1884 0.2833 3.0923 12.3189 0.6096 12.0630 0.5419 11.3180 0.4658 4.7232 6.7467 1.1351 7.8051 5.3279 4.0078 25.8153 14.5787 5.4874 23.4627 2.5827 4.7771 6.0475 11.3443 7.1510 3.7230 2.9122 4.3145 5.0271 22.5643 10.1997 15.1979 21.4349 48.9804 51.5601 38.2303 23.0625 31.4824 2.5311 17.8246 25.5318 54.6683 7.3861 28.2642 8.0523 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9 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 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 7947.4057 32768.0175 38332.8250 0.99999 -0.00289 0.00157 0.00288 0.99997 0.00718 -0.00159 -0.00717 0.99997 1 0.01090 0.00264 0.00226 0.22709 0.05508 0.04708 25.09 28.97 32.62 52.49 57.99 60.89 77.54 94.82 103.36 131.55 164.48 211.99 219.89 239.79 278.00 325.32 337.73 365.83 373.55 390.42 429.24 459.97 474.98 503.97 523.67 571.51 585.25 588.78 639.50 662.64 676.75 692.25 698.96 727.63 745.78 778.18 818.38 853.23 865.90 893.86 903.29 942.10 951.01 964.84 981.59 994.05 1032.52 1052.00 1071.43 1125.85 1128.37 1159.07 1169.53 1185.13 1216.15 1219.09 1244.92 1302.49 1303.52 1310.48 1335.02 1363.85 1377.19 1391.22 1411.14 1426.81 1449.05 1453.39 1476.00 1488.37 1506.24 1521.97 1536.93 1544.95 1562.05 1567.26 1579.21 1591.96 1600.48 1600.88 1608.44 1610.64 1625.94 1649.48 1665.51 1678.85 1686.59 1708.56 1713.42 1734.14 1756.75 1777.15 1781.57 1819.54 1838.49 1843.28 1872.88 1893.53 1914.13 1918.27 1920.42 1939.27 1951.89 1986.86 1997.90 2012.72 2016.19 2017.34 2032.32 2044.04 2088.61 2097.85 2117.59 2142.84 2185.87 2210.99 2220.02 2224.12 2251.59 2266.84 2274.77 2288.37 2295.97 2306.12 2325.03 2332.97 2336.98 2339.75 2350.41 2355.97 2359.55 2370.82 2376.48 2400.96 2453.85 2535.54 2539.42 2562.31 2592.12 2598.95 2602.00 2622.98 2629.89 4616.58 4625.03 4675.22 4683.93 4712.86 4720.71 4722.33 4776.63 4808.41 4819.39 4841.63 4850.55 4859.75 4866.46 4869.63 4880.35 4888.21 4900.11 4900.70 4907.92 4922.84 4942.75 4971.22 5231.59 5622.05 0.511590 0.536797 0.537741 0.452106 -1407.975322 -1407.950115 -1407.949171 -1408.034806 2.872212D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE Cc1cccc(n1)[C@H]2c3c(c4ccccc4[nH]3)CC[NH+]2Cc5cnn(c5)c6ccc(cc6)F C12320289 RHF 6-31G(d) (6D,10F) C1 438.209399 |X|Y|Z| 61.800154 128.443449 28.977703 61.271027 31 6 7 26 5 |36.858105| |12.655279|36.858105| |7.529994|13.632400|36.858105| |5.036998|7.965114|13.851682|36.858105| |4.490397|6.957776|7.975851|13.672357|36.858105| |5.217789|8.331170|7.065342|8.056069|13.850149|36.858105| |7.869237|14.412060|8.044328|6.921459|8.001550|14.372512|53.358707| |3.958672|5.232091|4.518186|5.032768|7.529402|12.502090|10.788168|36.858105| |3.350686|4.319315|4.010757|4.709801|7.132606|8.846919|7.917302|17.569486|0.500000| |3.563916|4.424543|3.869657|4.183735|5.608244|7.599661|8.265644|12.672904|0.246575|36.858105| |3.204610|3.687955|3.180042|3.288219|4.058940|5.213411|6.527714|7.480688|0.166471|14.153711|36.858105| |2.840628|3.194001|2.854432|2.951709|3.492589|4.130278|5.259987|5.133434|0.124118|8.505342|13.200667|36.858105| |2.461218|2.661079|2.403047|2.446638|2.786682|3.189503|4.201439|3.760360|0.094381|5.256773|7.279199|13.611470|36.858105| |2.237271|2.405384|2.228189|2.277067|2.536549|2.793476|3.673328|3.145586|0.080814|4.179773|5.020704|7.988865|13.877571|36.858105| |2.266358|2.479781|2.352516|2.440753|2.705224|2.891857|3.733425|3.165960|0.082151|4.195178|4.561355|6.888779|7.883032|13.554061|36.858105| |2.537785|2.873973|2.753691|2.921891|3.308849|3.505016|4.381474|3.823142|0.098677|5.300839|5.271973|7.800705|6.734609|7.853848|13.865630|36.858105| |2.891999|3.361103|3.118744|3.322985|3.956783|4.444250|5.415200|5.192171|0.128480|8.555014|8.376897|13.636957|7.882669|6.933292|8.061468|13.665988|36.858105| |3.291826|4.079915|3.809360|4.243583|5.483457|6.273963|6.897965|7.541719|0.180610|13.886348|8.530758|8.483356|5.343736|4.640079|5.159618|7.591101|13.833640|53.358707| |3.361639|4.298442|4.240615|4.968778|6.474402|6.583911|6.956591|6.774038|0.170887|9.022099|5.992785|5.963066|4.272898|3.942361|4.556516|6.675209|9.037536|26.099831|0.500000| |3.075794|3.391026|2.869916|2.896450|3.480103|4.477095|5.945263|6.251921|0.145209|7.642971|12.736596|7.132172|5.613673|4.018749|3.518123|3.780642|5.085662|7.083338|0.116256|36.858105| |3.141894|3.550898|3.015134|3.092405|3.817261|5.002758|6.385844|7.565239|0.183878|6.902513|7.757791|4.945954|3.981132|3.129172|2.887530|3.174612|4.117648|6.312384|0.109692|12.522294|36.858105| |3.949106|4.768974|3.893655|3.999148|5.180948|7.751130|9.577075|12.661602|0.252585|7.817814|6.787961|4.513715|3.528595|2.890531|2.784390|3.172383|4.122704|6.927031|0.125708|7.619368|12.666469|53.358707| |4.745039|5.578442|4.214491|4.076525|5.003236|7.751635|11.854704|9.467091|0.183890|7.030607|6.431118|4.431483|3.519054|2.888400|2.770421|3.129820|4.022236|6.569013|0.120370|7.229703|9.222905|25.598315|0.500000| |3.676852|4.357570|3.719335|3.848159|4.798510|6.278775|7.852944|7.627532|0.203526|5.025031|4.444076|3.342128|2.767706|2.358649|2.298229|2.580222|3.166678|5.187404|0.099978|4.961016|7.642925|17.099282|0.257814|36.858105| |3.574604|3.877459|3.258336|3.197124|3.674037|4.571777|6.465276|5.017882|0.130287|3.863019|3.686860|2.886347|2.491794|2.136707|2.052241|2.244392|2.681236|4.175013|0.080545|4.353275|6.141493|10.379177|0.205568|12.789660|36.858105| |4.138058|4.168493|3.389655|3.150593|3.426717|4.211196|6.551466|4.201644|0.105463|3.403606|3.276273|2.652450|2.327995|2.020810|1.944937|2.111994|2.481822|3.805175|0.074314|3.768127|4.689070|7.826373|0.179931|7.296889|13.457028|36.858105| |3.408618|3.309276|2.792547|2.607039|2.780554|3.274719|4.972909|3.315575|0.085469|2.825516|2.798131|2.331599|2.102275|1.840959|1.759312|1.879229|2.168095|3.239949|0.063263|3.252396|3.894286|5.862903|0.129904|5.177795|8.499648|14.681570|53.358707| |2.851465|2.866595|2.486238|2.394990|2.606743|3.033120|4.383977|3.217317|0.085426|2.754963|2.761984|2.295429|2.081373|1.816687|1.726064|1.834841|2.116850|3.146424|0.061009|3.282841|4.069032|5.742505|0.119410|5.238653|8.735888|9.063975|19.443194|53.358707| |2.887841|3.037793|2.643762|2.613414|2.943314|3.476793|4.831333|3.866581|0.104582|3.194534|3.167489|2.558696|2.276076|1.965101|1.869662|2.007895|2.353654|3.556465|0.068469|3.820633|5.176782|7.282677|0.141525|7.395536|13.898123|8.703011|11.723024|19.393283|36.858105| |2.392424|2.373485|2.105377|2.035189|2.184322|2.473484|3.539643|2.614583|0.070409|2.315664|2.351279|2.009598|1.861668|1.643828|1.557411|1.635196|1.855139|2.708674|0.052676|2.763985|3.269012|4.428611|0.091371|3.820091|5.330120|5.509580|10.825006|18.197697|7.684901|36.858105| |2.274673|2.219423|1.994397|1.912286|2.009842|2.231899|3.216542|2.292477|0.061846|2.042036|2.051913|1.786325|1.664120|1.489436|1.422082|1.491299|1.671345|2.435556|0.047885|2.343069|2.693218|3.741687|0.078037|3.192529|4.208601|4.641730|8.960574|10.685197|5.277975|13.739510|36.858105| |1.963611|1.913772|1.743078|1.679960|1.756994|1.925386|2.750351|1.982575|0.053853|1.799127|1.819893|1.610259|1.519080|1.370824|1.307350|1.360236|1.508405|2.174594|0.042803|2.061749|2.318099|3.160842|0.065500|2.625006|3.265366|3.482498|6.114236|7.023240|3.970058|7.960088|13.789624|36.858105| |1.808623|1.778299|1.623257|1.578224|1.665019|1.825691|2.580264|1.913285|0.052231|1.758670|1.800606|1.599700|1.522018|1.371875|1.299933|1.343671|1.487416|2.126216|0.041611|2.058344|2.300310|3.047179|0.062482|2.488708|3.029033|3.096901|5.211414|6.230085|3.744370|6.959818|8.005379|13.801503|36.858105| |1.862066|1.850456|1.678035|1.641933|1.756394|1.946163|2.731388|2.083274|0.056939|1.919920|1.987991|1.750527|1.665669|1.487266|1.398693|1.443654|1.609473|2.295993|0.044552|2.319698|2.619826|3.374099|0.068501|2.743443|3.359715|3.303415|5.481553|7.007025|4.340345|7.948458|6.849919|7.896871|13.830137|36.858105| |2.123076|2.123937|1.899609|1.857299|2.009335|2.265328|3.188679|2.452972|0.066650|2.224898|2.303799|1.984943|1.863798|1.643203|1.542616|1.603915|1.812816|2.610705|0.050386|2.746651|3.204382|4.112769|0.083343|3.413164|4.419496|4.248172|7.277694|10.656591|6.258929|13.764128|7.914989|6.863912|8.016341|13.760059|36.858105| |1.614143|1.585016|1.460720|1.423360|1.493161|1.620490|2.280962|1.691995|0.046354|1.572766|1.611812|1.451240|1.392472|1.265761|1.200905|1.234974|1.354749|1.923668|0.037751|1.820646|2.000324|2.643534|0.054133|2.126431|2.504342|2.552147|4.135329|4.727643|2.982683|4.692330|5.317208|8.179789|14.402596|8.188391|5.319524|97.533100| |17.535711|8.902573|6.380690|4.517891|4.037962|4.570750|8.674683|3.587852|0.086764|3.147412|2.863101|2.523797|2.214368|2.014735|2.027197|2.245340|2.541436|3.915408|0.081320|2.831494|2.975912|5.058141|0.121859|3.674263|3.726064|4.535059|5.117605|4.154420|3.020800|2.553534|2.467596|2.109433|1.912881|1.947698|2.221400|3.824915|0.500000| |17.617961|8.913717|5.617781|4.220168|4.039969|4.946234|10.224480|4.023187|0.092608|3.747871|3.496007|3.075898|2.678869|2.399702|2.386842|2.639423|3.040233|4.603243|0.093002|3.419217|3.397658|5.692288|0.145896|3.732052|3.711493|4.348953|4.899950|4.071772|3.007880|2.502452|2.350690|2.026708|1.877830|1.948064|2.233207|3.758995|0.300932|0.500000| |17.588858|8.866909|7.004291|4.689287|3.996714|4.348497|7.966360|3.386095|0.081506|3.165867|2.871948|2.637454|2.323516|2.156103|2.209380|2.461471|2.729182|4.144247|0.087629|2.713666|2.715653|4.474522|0.105877|3.064659|2.971491|3.361567|3.922931|3.351919|2.480913|2.118121|2.037014|1.786940|1.652958|1.692151|1.901693|3.354281|0.302370|0.300316|0.500000| |6.959619|8.879498|17.743475|8.922494|5.651443|5.053891|7.784183|3.602442|0.091015|3.202797|2.727786|2.507649|2.163902|2.036099|2.152294|2.476818|2.725937|4.361870|0.098302|2.496126|2.593571|4.381806|0.096524|3.131394|2.846487|3.017613|3.484630|3.095078|2.371543|1.958569|1.883611|1.659977|1.540766|1.578070|1.767362|3.139585|0.172663|0.141645|0.206845|0.500000| |4.089610|5.647834|8.934578|17.728494|8.877351|5.690434|6.775617|4.080767|0.111102|3.529486|2.850582|2.626645|2.220360|2.102853|2.275654|2.704264|2.977964|5.021428|0.120852|2.526327|2.681997|4.527252|0.092668|3.271229|2.773838|2.727281|3.151662|2.928939|2.332455|1.859802|1.763865|1.565346|1.473344|1.525106|1.707205|3.011160|0.105171|0.096733|0.110549|0.214131|0.500000| |3.583536|4.997125|5.650192|8.834639|17.723387|8.891476|7.743342|6.903100|0.212657|5.344544|3.885711|3.402519|2.726979|2.505003|2.696580|3.317652|3.916559|7.406283|0.182273|3.313147|3.660523|6.409725|0.120034|4.463325|3.385588|3.067474|3.464938|3.331050|2.794123|2.077544|1.908518|1.682803|1.607229|1.700762|1.934833|3.257766|0.091760|0.091846|0.090761|0.123778|0.212336|0.500000| |2.352258|2.493861|2.231602|2.247536|2.540720|2.928359|3.928270|3.461582|0.087272|4.555599|6.442290|8.823654|17.712650|8.943418|5.613689|4.879442|5.606136|5.887042|0.098955|5.876117|4.042011|4.669511|0.095544|2.721124|2.509153|2.347433|2.923826|2.916827|2.330167|1.931048|1.715901|1.571615|1.586241|1.748243|1.955023|3.265377|0.059488|0.071810|0.061381|0.056151|0.056712|0.068810|0.500000| |2.029252|2.144749|1.994403|2.023563|2.221454|2.425127|3.226690|2.694529|0.069949|3.413273|4.040222|5.662528|8.970510|17.732244|8.879293|5.627231|4.984732|5.006523|0.089672|3.473364|2.763259|3.453213|0.070679|2.117422|1.951836|1.858887|2.335325|2.311468|1.819625|1.554348|1.414334|1.311423|1.318162|1.427173|1.563600|2.751829|0.051234|0.060470|0.054655|0.051205|0.052336|0.060974|0.215673|0.500000| |2.067333|2.238315|2.155305|2.232606|2.426005|2.539110|3.298088|2.716613|0.071465|3.427452|3.629161|4.961200|5.638792|8.882073|17.726980|8.990882|5.697369|5.630843|0.106718|2.938003|2.483961|3.285545|0.066845|2.042114|1.842254|1.758365|2.183321|2.142023|1.691802|1.432059|1.317330|1.218175|1.211741|1.297392|1.419753|2.532380|0.051697|0.060003|0.056648|0.055544|0.058680|0.067476|0.124043|0.215764|0.500000| |2.474731|2.826965|2.796154|3.017131|3.356161|3.397231|4.200752|3.553716|0.093601|4.613689|4.299855|5.571796|4.879990|5.595009|8.906103|17.720418|8.819432|9.126142|0.188276|3.225662|2.833107|3.957992|0.079572|2.429981|2.110737|1.996033|2.419271|2.355462|1.887662|1.546347|1.421249|1.298640|1.278199|1.364742|1.509689|2.650526|0.060908|0.070134|0.067544|0.070434|0.079101|0.094762|0.106277|0.123746|0.215278|0.500000| |2.622529|2.843151|2.474339|2.514083|2.967951|3.622977|4.767385|4.828342|0.121281|5.791996|8.883758|6.492833|5.788390|4.104308|3.462642|3.570623|4.575011|6.013711|0.100623|17.560868|8.987331|7.601163|0.144634|4.135536|3.755672|3.259844|3.981866|4.125756|3.494224|2.635245|2.232581|1.996352|2.026303|2.306654|2.696749|4.063995|0.067943|0.080080|0.065478|0.060819|0.062177|0.080324|0.182741|0.100881|0.080937|0.084331|0.500000| |3.291813|3.481044|2.869289|2.800985|3.253513|4.193718|5.999083|5.279150|0.120630|6.105504|8.862328|6.096060|5.210764|3.819142|3.312886|3.481900|4.490282|6.121712|0.104024|17.521708|8.834139|9.030865|0.202289|4.573327|4.325925|3.972223|4.711458|4.626586|3.796892|2.861575|2.432489|2.133603|2.119976|2.379281|2.820587|4.208220|0.083888|0.105342|0.080247|0.069975|0.067665|0.083980|0.157177|0.093682|0.077856|0.083200|0.303806|0.500000| |2.774364|3.174956|2.806711|2.968757|3.713720|4.597400|5.532461|7.077154|0.200629|6.455981|6.830952|4.686698|3.804231|3.050317|2.848085|3.143834|4.028825|6.211342|0.108853|8.819074|17.610024|12.435932|0.181217|6.906007|5.288170|3.989825|4.639835|4.987064|4.725269|3.033555|2.520929|2.200426|2.203898|2.514084|3.028091|4.348824|0.073475|0.081284|0.067793|0.067448|0.072822|0.103391|0.105936|0.074955|0.068394|0.078573|0.219941|0.173502|0.500000| |3.003763|3.267504|2.769860|2.784231|3.311524|4.201878|5.647762|5.586216|0.141097|5.019946|5.598998|4.002693|3.432729|2.762178|2.532967|2.720842|3.380003|5.029809|0.090346|8.783092|17.665528|12.435342|0.218063|7.394966|7.202786|5.318633|6.205800|6.787241|6.551418|3.917690|3.097813|2.631182|2.628461|3.063084|3.884878|5.056084|0.080968|0.090826|0.072019|0.067306|0.067766|0.087745|0.099681|0.069396|0.061573|0.068217|0.207761|0.217909|0.300432|0.500000| |4.056136|5.078543|4.427612|4.669213|5.896470|7.517310|9.022821|7.551745|0.205344|4.778041|4.006002|3.127937|2.586094|2.249567|2.236802|2.544209|3.083249|5.173985|0.103693|4.152091|5.632322|12.382494|0.216255|17.661223|8.944356|6.643126|6.410534|6.134893|5.736565|3.402296|2.973873|2.462180|2.300486|2.474291|2.995510|4.470575|0.113752|0.109325|0.093068|0.101152|0.107990|0.147545|0.069522|0.056046|0.055596|0.067758|0.097175|0.108205|0.146604|0.146737|0.500000| |3.068666|3.600662|3.227972|3.451507|4.325087|5.213789|6.185129|6.712903|0.208395|4.689271|4.201051|3.218226|2.690212|2.304173|2.245632|2.511273|3.055683|4.957120|0.095436|4.672743|7.318744|12.372549|0.181970|17.621097|8.890944|5.483738|5.941360|6.461818|6.922777|3.649203|3.036788|2.547311|2.459496|2.742537|3.383226|4.757177|0.084963|0.086025|0.073270|0.076837|0.084099|0.119047|0.073608|0.057655|0.055607|0.065844|0.113692|0.114688|0.217268|0.195223|0.302119|0.500000| |5.306866|5.123636|3.962095|3.516042|3.712089|4.608736|7.783736|4.264770|0.104039|3.468697|3.276092|2.683499|2.342590|2.048073|1.989211|2.174333|2.548645|3.933592|0.077722|3.619552|4.269936|7.464044|0.183937|6.312186|8.484344|17.778451|12.608845|8.310874|5.881401|4.323246|3.897927|3.048754|2.709481|2.830417|3.475358|5.148582|0.168731|0.154294|0.114132|0.097671|0.083092|0.089371|0.064914|0.052163|0.050004|0.057376|0.085790|0.107605|0.100795|0.126748|0.177403|0.131448|0.500000| |2.524262|2.682291|2.390255|2.409270|2.732142|3.153390|4.240396|3.600568|0.100903|3.034507|3.034637|2.477609|2.222394|1.924038|1.826699|1.952265|2.275774|3.411597|0.065532|3.658251|4.963573|6.489946|0.120697|6.303647|8.559165|5.865725|8.061947|12.320714|17.803135|6.864060|4.783981|3.825112|3.784499|4.562761|6.527642|6.843408|0.072454|0.072615|0.061321|0.059841|0.060538|0.073790|0.063435|0.049676|0.046021|0.050986|0.096255|0.098047|0.134594|0.173158|0.137727|0.189079|0.123557|0.500000| |2.443216|2.359823|2.121132|2.013378|2.090483|2.311298|3.368812|2.320954|0.062336|2.047934|2.031584|1.770359|1.639578|1.473129|1.416281|1.493138|1.671810|2.452952|0.048575|2.284713|2.619290|3.753080|0.079175|3.232307|4.257977|4.993427|9.770579|9.833996|4.973729|8.928919|17.763538|8.918900|5.673096|4.943653|5.644497|9.611420|0.075069|0.069425|0.060592|0.055943|0.051550|0.054701|0.046614|0.038750|0.036481|0.039706|0.059720|0.066038|0.067788|0.082174|0.085855|0.083763|0.119351|0.120462|0.500000| |1.868328|1.809052|1.661837|1.596946|1.652640|1.792465|2.564630|1.823087|0.049562|1.660629|1.671327|1.492574|1.411774|1.283581|1.229735|1.278598|1.408280|2.027563|0.040131|1.866870|2.074526|2.857194|0.059408|2.355815|2.860044|3.086771|5.255267|5.675271|3.334895|5.643158|8.879943|17.751027|8.957534|5.644354|4.950236|16.729815|0.056020|0.053207|0.047631|0.044342|0.041581|0.043969|0.040423|0.034185|0.031966|0.034056|0.050166|0.053662|0.054882|0.064319|0.062436|0.063393|0.077236|0.089000|0.213047|0.500000| |1.721788|1.718094|1.566194|1.540833|1.652024|1.822699|2.538665|1.966870|0.053994|1.837596|1.918588|1.704654|1.637360|1.465535|1.372654|1.407785|1.562092|2.209700|0.042768|2.237627|2.491366|3.148820|0.063509|2.511379|2.974212|2.874831|4.581306|5.662755|3.735844|5.638192|4.943008|5.642049|8.962108|17.751767|8.863811|16.731986|0.049570|0.050092|0.043744|0.040946|0.039904|0.044711|0.047985|0.039263|0.035442|0.036913|0.062817|0.063405|0.067166|0.080276|0.062895|0.070610|0.069547|0.111841|0.107416|0.124613|0.500000| 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