Version2.2 2021-02-10T19:26:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC(=O)N(C)C C39680714 RHF 6-31G(d) (6D,7F) Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC(=O)N(C)C C01[X(C22H33N4O3)] 180 C1 501 CN(C(=O)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)Cc1ccccc1C)C CN(C(=O)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)Cc1ccccc1C)C CN(C)C(=O)CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)Cc3ccccc3C InChIKey=LMUZXMOSINFHKI-UHFFFAOYSA-M InChI=1S/C22H32N4O3/c1-16-6-4-5-7-17(16)12-19(27)26-14-18(21(29)24-13-20(28)25(2)3)22(15-26)8-10-23-11-9-22/h4-7,18,23H,8-15H2,1-3H3,(H,24,29)/p+1/t18-/m0/s1 InChI=1/C22H32N4O3/c1-16-6-4-5-7-17(16)12-19(27)26-14-18(21(29)24-13-20(28)25(2)3)22(15-26)8-10-23-11-9-22/h4-7,18,23H,8-15H2,1-3H3,(H,24,29)/p+1/t18-/m0/s1/fC22H33N4O3/h23-24H/q+1 Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC(=O)N(C)C C01[X(C22H33N4O3)] 180 C01 501 CN(C(=O)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)Cc1ccccc1C)C O=C(N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C]([N](C)C)=O)=O)C[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1CC(=O)N2C[C@@H](C(=O)NCC(=O)N(C)C)C3(CC[NH2]CC3)C2 InChIKey=UGORBUWBUIHRNO-SFHVURJKSA-N InChI=1S/C22H33N4O3/c1-16-6-4-5-7-17(16)12-19(27)26-14-18(21(29)24-13-20(28)25(2)3)22(15-26)8-10-23-11-9-22/h4-7,18H,8-15,23H2,1-3H3,(H,24,29)/t18-/m0/s1 InChI=1/C22H33N4O3/c1-16-6-4-5-7-17(16)12-19(27)26-14-18(21(29)24-13-20(28)25(2)3)22(15-26)8-10-23-11-9-22/h4-7,18H,8-15,23H2,1-3H3,(H,24,29)/t18-/m0/s1/f/h24H 2812.8655520968 -1294.5528799 1-A 17906.1745 108 393 501 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62506 -20.61164 -20.60511 -15.86473 -15.68283 -15.67781 -15.67466 -11.45213 -11.45093 -11.45085 -11.43832 -11.42872 -11.38583 -11.38442 -11.37903 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3.3430 4.1431 1.9524 3.1873 4.2698 1.6643 3.5972 2.8367 4.3431 4.0190 3.8064 1.9663 2.9024 2.4475 3.1665 1.8972 3.5538 3.6651 4.0505 2.9280 1.6311 2.6205 1.3910 3.1120 2.4216 2.2555 2.4703 2.0698 1.4205 2.0679 1.8441 1.7056 2.8378 2.6698 2.1648 1.3276 2.1050 2.1260 2.3647 1.5316 2.0501 1.4208 3.4979 2.5402 1.7850 1.2291 1.8112 1.5042 1.5492 1.4997 1.8017 1.9521 1.3871 1.9626 1.3102 1.5691 1.9698 1.2442 1.4208 2.1093 1.4354 1.1639 4.5772 2.0228 1.5462 1.1964 1.2549 1.6882 1.3902 1.4902 1.4967 1.4639 1.5504 1.4641 1.3679 1.5231 1.3841 1.4435 2.1622 1.3840 1.1894 1.7744 1.3085 1.5153 1.0972 1.1264 1.0589 1.1205 1.0876 1.0885 1.0647 1.2111 1.0653 1.0827 1.0878 2.1779 1.0926 1.1028 1.4663 2.4687 5.6128 5.5337 1.0766 10.2196 8.2211 11.5420 1.0745 1.0464 1.0721 1.0429 1.0634 1.0445 1.0661 1.0604 1.0838 1.0977 1.0617 1.0919 1.1061 1.1040 1.0611 1.1063 1.0753 1.0969 1.0838 1.1034 1.1052 1.0924 1.1123 1.0893 1.1000 1.1101 1.0890 1.0936 1.0984 1.0986 1.0560 1.0961 1.0792 0.0001 0.0005 0.0018 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17.9558 25.7465 6.4628 6.3164 6.4988 6.3439 6.4761 6.3801 6.5407 6.5636 6.7484 6.8574 6.6624 6.8593 6.9793 6.9763 6.7261 7.0192 6.8267 6.9832 6.9120 7.0589 7.1400 7.1124 7.3074 7.1690 7.2397 7.3310 7.2443 7.3327 7.4028 7.4351 8.3655 8.9870 9.4503 1.4703 1.1226 0.1844 2.2677 3.0660 7.0283 9.3389 0.8965 0.2933 2.1167 5.7132 3.6153 0.3859 3.0907 5.2968 0.3548 4.6677 2.5562 1.9276 1.9725 2.0570 22.8988 11.8778 5.9935 0.5289 5.8092 1.5193 21.9004 2.0404 6.6462 1.0086 30.7788 0.0278 2.4697 4.1323 1.9810 3.1598 0.8123 10.3466 7.9137 12.3384 1.4122 4.6180 1.7117 17.1050 14.6802 99.5423 38.5408 1.7830 10.0663 10.9653 2.9760 27.8737 27.9321 10.5512 3.8921 0.5301 11.2654 1.3379 0.9320 7.1255 11.7807 6.1444 2.4671 10.2173 14.2148 6.9901 10.2193 8.2807 0.9459 0.0394 22.1617 0.2292 24.6178 8.0362 2.7934 0.0203 7.2052 4.7607 2.1629 3.4196 2.1874 13.3045 56.1894 2.6579 11.3702 1.6144 2.1216 8.7899 95.1211 38.7847 36.6982 10.1614 7.0816 44.0457 41.1955 3.9668 0.8659 16.2633 7.4763 49.6586 24.9380 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12.00000 12.00000 15.99491 14.00307 12.00000 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 9264.9667 24040.5668 30423.4075 0.99997 -0.00720 -0.00229 0.00723 0.99993 0.00948 0.00222 -0.00949 0.99995 1 0.00935 0.00360 0.00285 0.19479 0.07507 0.05932 9.81 19.65 40.80 43.95 59.39 67.83 76.48 96.11 108.81 126.63 138.10 150.50 158.09 188.78 215.76 223.75 240.28 249.51 278.50 294.94 306.65 343.82 364.94 391.79 401.68 406.01 452.40 468.32 487.40 527.87 534.79 599.72 626.09 633.09 643.26 692.31 714.94 721.05 772.96 799.38 812.76 825.29 838.80 897.41 905.09 942.53 949.45 954.19 1008.89 1104.41 1115.65 1151.73 1194.60 1217.31 1229.47 1240.25 1257.20 1271.27 1284.96 1316.59 1344.72 1354.59 1371.38 1418.96 1433.74 1477.26 1492.15 1520.95 1523.79 1538.58 1546.28 1573.78 1575.85 1591.88 1602.69 1605.49 1611.33 1639.08 1640.05 1660.87 1687.45 1692.82 1699.98 1738.46 1747.36 1767.09 1772.30 1775.69 1781.87 1839.97 1851.97 1862.15 1863.23 1887.62 1905.39 1925.29 1932.99 1933.39 1953.09 1970.09 1977.47 1993.79 2001.67 2018.03 2048.60 2073.18 2086.17 2093.40 2098.66 2102.25 2150.60 2167.46 2181.48 2219.57 2223.31 2239.28 2246.13 2250.74 2256.18 2264.66 2277.41 2288.64 2309.09 2316.70 2334.49 2344.89 2348.58 2357.54 2359.74 2360.67 2366.85 2371.21 2373.22 2377.28 2386.29 2386.85 2404.75 2411.34 2426.97 2432.36 2466.75 2563.87 2609.99 2629.41 2742.33 2770.17 2799.54 4596.95 4605.30 4614.91 4622.97 4625.80 4632.67 4642.71 4663.51 4677.34 4684.93 4695.44 4698.02 4708.55 4711.95 4719.25 4721.49 4722.95 4729.41 4733.72 4741.06 4764.17 4782.83 4804.37 4808.60 4808.79 4816.88 4834.43 4853.64 4866.09 4876.22 5275.77 5367.31 5546.74 0.583913 0.611675 0.612619 0.520401 -1293.968967 -1293.941205 -1293.940261 -1294.032479 3.093007D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCC(=O)N(C)C C39680714 RHF 6-31G(d) (6D,10F) C1 401.255266 |X|Y|Z| 66.983891 111.507030 31.389434 61.662156 18 6 7 16 2 |36.858105| |12.598722|36.858105| |7.593467|13.723072|36.858105| |5.016460|7.865523|13.746767|36.858105| |4.419365|6.806277|7.960959|13.791832|36.858105| |5.002196|7.913856|6.941345|7.983358|13.754386|36.858105| |7.486514|13.617208|7.954788|6.846827|7.879914|13.734453|36.858105| |6.359095|7.481746|5.010621|4.435728|5.032593|7.637423|12.588641|36.858105| |5.472997|5.717942|4.168346|3.716554|4.083781|5.532445|7.470072|12.511449|36.858105| |5.587442|5.777291|4.363796|3.839290|4.068743|5.159114|6.690769|7.927321|15.891338|73.516695| |4.115465|4.111442|3.223984|2.960941|3.253225|4.184465|5.045410|7.758184|13.939399|15.223400|53.358707| |3.549635|3.537700|2.844323|2.652850|2.931116|3.718340|4.309185|6.505887|7.542562|9.425845|17.841705|36.858105| |2.867405|2.801079|2.344558|2.205519|2.395355|2.892941|3.231581|4.309525|5.133090|7.434758|10.928952|12.293665|36.858105| |2.536187|2.523505|2.154175|2.060733|2.256757|2.696900|2.918489|3.761655|4.211802|6.240491|8.048115|8.756486|17.575179|0.500000| |2.783330|2.741210|2.323060|2.196697|2.380459|2.840541|3.132696|3.999123|5.245582|8.219224|11.079685|7.794929|12.256303|0.241981|36.858105| |3.453330|3.354053|2.758213|2.548764|2.736226|3.319650|3.828832|5.012249|7.843963|12.599761|17.909513|7.882285|7.918866|0.158833|12.392803|36.858105| |2.507890|2.572985|2.230945|2.171683|2.407334|2.859985|3.001381|3.688597|4.597528|7.356223|8.561385|6.125508|7.581119|0.205562|12.317042|7.511727|36.858105| |2.306826|2.375259|2.107503|2.068411|2.272195|2.622822|2.705642|3.142571|3.919469|6.813774|6.508784|4.279279|4.880858|0.130605|7.416865|6.030048|12.501105|36.858105| |2.087274|2.096773|1.875767|1.823095|1.960622|2.219279|2.317824|2.658456|3.252133|5.746871|5.323140|3.608839|4.363986|0.116836|6.448238|5.108570|7.681181|12.642870|53.358707| |1.969714|1.984380|1.798046|1.755804|1.878321|2.095503|2.169784|2.430343|2.939036|5.325158|4.610263|3.086577|3.568063|0.095684|4.910697|4.288753|5.674074|9.170228|25.684467|0.500000| |1.933910|1.943468|1.746561|1.704419|1.835434|2.069915|2.148142|2.462499|2.922226|5.063903|4.782435|3.411693|4.234677|0.119146|5.763373|4.349070|7.007763|9.195914|25.676391|0.328366|0.500000| |2.229973|2.178274|1.925369|1.834806|1.942761|2.204818|2.368841|2.754324|3.443059|6.118084|5.752266|3.838557|4.830113|0.121088|7.482514|6.035494|6.509666|7.580339|17.195003|0.254384|0.255636|36.858105| |2.401142|2.320510|2.012866|1.901683|2.021360|2.335092|2.552244|3.089005|3.855429|6.466231|6.976823|4.981949|7.348573|0.173271|12.387425|7.419400|7.613852|6.476837|10.451387|0.157541|0.195509|12.512105|36.858105| |2.790110|2.612303|2.197152|2.032568|2.151301|2.538083|2.883626|3.720548|4.256744|6.441801|7.925205|7.592474|12.477267|0.247147|7.385250|6.015859|4.923590|3.731456|4.955942|0.085577|0.099270|4.303916|6.487841|36.858105| |2.964681|2.684266|2.249057|2.046524|2.127917|2.486071|2.878631|3.649247|4.299377|6.755395|7.625239|6.171317|7.963541|0.163632|6.483466|6.200272|4.295177|3.494337|4.763941|0.083932|0.092945|4.360778|6.272466|15.784585|73.516695| |2.456074|2.317505|1.984572|1.853194|1.959636|2.279514|2.539276|3.175782|3.409906|5.233900|5.876560|5.681840|7.878736|0.213818|5.178078|4.273820|4.018600|3.143297|4.227358|0.074382|0.087562|3.514292|4.885026|14.265943|15.140650|53.358707| |2.288058|2.120328|1.837640|1.706189|1.775984|2.027805|2.260368|2.734303|2.876307|4.542806|4.663531|4.151349|5.030914|0.135186|3.858467|3.422428|3.116959|2.588311|3.560899|0.064319|0.073684|2.978789|3.872861|7.830716|12.206887|17.989409|36.858105| |2.004280|1.890410|1.665063|1.565778|1.635353|1.847915|2.018040|2.387865|2.442730|3.881284|3.858206|3.427292|3.989514|0.115422|3.154611|2.785361|2.722367|2.291941|3.142216|0.057399|0.066141|2.531834|3.151323|5.177771|7.970681|10.815994|12.461245|36.858105| |1.940425|1.864237|1.647496|1.566020|1.653186|1.873490|2.018442|2.391368|2.427218|3.828328|3.856488|3.504681|4.101126|0.126207|3.194258|2.751602|2.850714|2.367576|3.207467|0.058340|0.068356|2.517511|3.125108|4.893204|7.151791|10.106401|8.069328|15.773987|73.516695| |1.844684|1.729844|1.540612|1.447574|1.497684|1.670047|1.818043|2.103946|2.135603|3.449614|3.280828|2.806635|3.146990|0.089400|2.618001|2.380025|2.295403|1.988659|2.747525|0.050970|0.057645|2.209827|2.654720|3.932042|6.495993|7.118508|7.748236|14.182263|15.058156|53.358707| |1.656884|1.572753|1.417173|1.343775|1.392448|1.539496|1.653084|1.883546|1.887645|3.064611|2.857710|2.424936|2.662592|0.077153|2.258815|2.059143|2.045072|1.792139|2.465686|0.046136|0.052044|1.941341|2.275633|3.127410|5.143811|5.392361|5.000237|7.886869|12.370890|17.819526|36.858105| |1.862961|1.718149|1.532917|1.427548|1.459999|1.617339|1.775886|2.034787|2.072684|3.390018|3.133558|2.601130|2.858672|0.078466|2.446534|2.291530|2.120198|1.868323|2.597158|0.048597|0.053848|2.119325|2.507698|3.612423|6.370346|6.033093|6.604667|7.697303|9.440039|17.860584|7.756144|36.858105| |17.576654|8.836790|5.905349|4.295505|3.953152|4.566195|6.643230|6.399037|6.437683|12.591688|6.421066|3.844295|3.131906|0.075305|3.114221|4.042902|2.740663|2.532663|3.128212|0.060119|0.058487|2.496502|2.683091|3.052728|5.908777|3.561862|2.420320|2.081896|3.563288|2.592817|1.694207|1.928891|0.500000| |17.523152|8.802987|5.896085|4.289324|3.947051|4.557863|6.619230|6.396919|5.176198|8.635862|5.601114|3.743086|2.989076|0.073506|2.796808|3.387073|2.489379|2.244414|2.779947|0.053123|0.053064|2.192028|2.409794|2.970622|5.590457|3.599529|2.483099|2.171182|3.717580|2.719260|1.786971|2.021887|0.301244|0.500000| |17.593421|8.868801|7.357726|4.793478|3.981719|4.182087|5.551681|4.688210|4.234176|7.930344|4.586794|2.965609|2.487232|0.061873|2.436962|2.956930|2.214575|2.072093|2.588467|0.050327|0.049105|2.030668|2.156822|2.455444|4.663054|2.986870|2.080869|1.840461|3.156176|2.336202|1.551392|1.749036|0.302182|0.302921|0.500000| |7.090384|8.944299|17.711727|8.946601|5.664337|4.986956|5.653699|4.077909|3.563120|6.727249|3.880500|2.538331|2.142047|0.054728|2.127552|2.508288|2.027397|1.931792|2.377910|0.046759|0.045273|1.806271|1.878782|2.045124|3.761426|2.529294|1.744704|1.583262|2.767062|2.012109|1.361628|1.483774|0.153922|0.153859|0.229028|0.500000| |4.101833|5.619930|8.919895|17.718398|8.914581|5.659459|4.938558|3.547610|3.087887|5.713044|3.463810|2.308378|1.963050|0.051348|1.963268|2.244472|1.951084|1.880036|2.278591|0.045104|0.043640|1.679620|1.726386|1.824218|3.269265|2.283936|1.558078|1.440446|2.560925|1.825418|1.252275|1.325750|0.099704|0.099617|0.114383|0.216243|0.500000| |3.537211|4.917549|5.648752|8.905472|17.720378|8.910972|5.622928|4.112673|3.479741|6.152185|3.940238|2.657423|2.217228|0.058884|2.212268|2.484532|2.282286|2.175899|2.554600|0.050217|0.049082|1.835028|1.894615|1.984555|3.462980|2.485174|1.656518|1.541179|2.787217|1.925631|1.325214|1.373374|0.090066|0.089974|0.090625|0.124315|0.214005|0.500000| |4.074973|5.633586|4.985051|5.671046|8.947453|17.687601|8.930153|7.139386|5.394969|8.553634|5.899050|3.964238|3.064777|0.080748|2.996149|3.403862|3.116929|2.820934|3.183109|0.060992|0.060906|2.280749|2.424557|2.614073|4.455385|3.210143|2.067884|1.897918|3.463228|2.316325|1.574347|1.629272|0.107349|0.107246|0.095991|0.108060|0.124413|0.215950|0.500000| |4.749978|5.614457|4.226924|4.019332|4.820454|7.384408|8.926762|17.562194|8.916140|10.728632|9.876317|7.095904|4.525725|0.114036|4.051692|4.705962|3.911637|3.234060|3.656932|0.067748|0.070050|2.716896|3.074511|3.738256|6.223811|4.444985|2.757291|2.453779|4.460054|2.913691|1.932923|2.033594|0.130356|0.136207|0.104510|0.096936|0.091348|0.114686|0.227350|0.500000| |6.966415|6.916411|4.655080|3.962100|4.234739|5.754335|8.831124|17.526098|9.009803|11.253937|9.346565|6.453532|4.320518|0.103839|3.810129|4.657914|3.372371|2.855019|3.392398|0.063168|0.064768|2.638572|3.019264|3.967528|7.015655|4.650527|2.988662|2.581679|4.532683|3.100010|2.020220|2.219936|0.188808|0.225478|0.139628|0.109951|0.090251|0.097920|0.147844|0.305435|0.500000| |3.292032|3.439388|2.817428|2.702269|3.074298|3.955575|4.345184|6.365540|6.522552|8.395818|12.318431|17.569772|8.740277|0.227515|6.309145|6.016782|6.017043|4.189687|4.654391|0.082017|0.091265|3.443637|4.254670|5.685445|8.262519|6.560687|3.627833|3.174807|5.969960|3.568479|2.325056|2.395609|0.095904|0.095811|0.077053|0.069064|0.065303|0.078521|0.123055|0.223797|0.164833|0.500000| |3.821477|3.677926|2.916752|2.668431|2.894714|3.641855|4.362089|6.639573|6.702773|8.570785|12.258660|17.591099|8.706934|0.189771|5.737375|6.052171|4.576366|3.462351|4.153199|0.074073|0.080967|3.301309|4.204384|7.569814|11.363271|8.194595|4.562104|3.709287|6.595749|4.135176|2.594073|2.837667|0.112915|0.117313|0.088009|0.072808|0.064440|0.072210|0.104801|0.193022|0.211761|0.302877|0.500000| |3.544378|3.273889|2.693403|2.438341|2.549286|3.026927|3.563201|4.530897|6.662073|11.448843|12.355606|6.427096|6.716610|0.136646|8.778807|17.598287|5.506077|4.777648|6.113886|0.107951|0.107984|5.773218|7.106132|6.232441|13.260758|5.904784|3.611084|2.853361|4.874486|3.353218|2.101867|2.423061|0.118331|0.097122|0.085199|0.069299|0.060030|0.063991|0.083970|0.114007|0.123767|0.135621|0.155663|0.500000| |3.355844|3.344258|2.804025|2.621423|2.819966|3.376868|3.798272|4.659415|7.313694|13.836255|12.509449|5.816915|5.666128|0.126889|8.607126|17.638170|7.080415|6.801134|7.446694|0.132320|0.123016|6.101408|6.237446|4.508567|8.280513|4.708205|2.874762|2.412946|4.261790|2.860215|1.847829|2.033736|0.109501|0.088501|0.080828|0.070739|0.064332|0.071478|0.095978|0.120704|0.115382|0.138150|0.130112|0.302393|0.500000| |2.686550|2.834401|2.442429|2.404412|2.728093|3.320028|3.424023|4.269297|5.256346|8.103050|9.592687|6.787070|6.898137|0.188539|8.737900|7.040598|17.587324|9.015606|7.629455|0.127200|0.143294|4.886808|5.514113|4.475203|6.957088|5.074532|2.921746|2.586750|4.844749|2.984938|1.971677|2.026721|0.080698|0.073823|0.065164|0.060722|0.059426|0.071878|0.103488|0.130743|0.104367|0.205383|0.136189|0.140775|0.190036|0.500000| |2.250632|2.304429|2.022334|1.980990|2.192202|2.569898|2.663767|3.224327|3.779092|6.030797|6.729009|5.349881|7.047420|0.227313|8.774230|5.493612|17.511956|8.914325|9.373754|0.143919|0.204337|5.679869|6.811859|4.770356|7.109807|5.649478|3.190052|2.862093|5.464716|3.253884|2.147911|2.166450|0.067270|0.062781|0.055736|0.051357|0.049851|0.058330|0.078126|0.096631|0.083707|0.152416|0.116311|0.123000|0.141068|0.303699|0.500000| |2.485576|2.570833|2.279303|2.230952|2.443112|2.817594|2.918613|3.339818|4.325711|7.909239|6.868387|4.162227|4.435213|0.113577|6.612354|6.544476|8.733207|17.647678|12.433257|0.225389|0.181197|6.909166|5.675399|3.495670|6.033998|3.959849|2.439505|2.144484|3.887615|2.559374|1.692707|1.790511|0.076772|0.066037|0.061938|0.057909|0.056141|0.064574|0.083198|0.093124|0.082880|0.111416|0.094628|0.142916|0.238983|0.214285|0.173210|0.500000| |2.114717|2.209029|1.991789|1.986425|2.199362|2.507166|2.519538|2.857035|3.409143|5.927266|5.411740|3.689459|4.070420|0.114162|5.428062|4.593021|8.769646|17.625860|12.362830|0.222292|0.224982|5.573060|4.887151|3.189410|5.267173|3.801259|2.333591|2.117263|3.932136|2.520162|1.692797|1.731496|0.063503|0.057145|0.053159|0.050712|0.050529|0.059410|0.075824|0.083012|0.071880|0.104617|0.084795|0.105129|0.141348|0.212403|0.217066|0.301586|0.500000| |2.396588|2.329956|2.055856|1.946146|2.046393|2.317466|2.511066|2.890370|3.720782|6.895854|6.024966|3.768727|4.423257|0.107554|6.722528|6.621385|5.750187|6.941267|12.418484|0.224019|0.181090|17.627337|8.748988|3.982986|7.487747|4.374272|2.773017|2.346534|4.108238|2.819914|1.822215|2.016061|0.075729|0.064503|0.060662|0.053659|0.049396|0.053357|0.065823|0.077501|0.076304|0.093045|0.090740|0.182157|0.204530|0.128958|0.132277|0.207758|0.142785|0.500000| |2.018437|1.958938|1.751190|1.670038|1.753601|1.963028|2.099899|2.400673|2.909576|5.196691|4.701673|3.229058|4.007896|0.103486|5.453630|4.594691|4.889604|5.574173|12.363216|0.222977|0.224444|17.627118|8.766975|3.803699|6.945870|4.410788|2.844775|2.447687|4.296671|2.950390|1.911231|2.092535|0.062305|0.055298|0.051685|0.046049|0.042813|0.046220|0.056110|0.065733|0.064678|0.081395|0.079645|0.128325|0.127797|0.107702|0.127646|0.142755|0.126481|0.301191|0.500000| |2.165873|2.106353|1.845867|1.758373|1.873885|2.149624|2.317096|2.777358|3.308431|5.480204|5.823952|4.489541|6.821987|0.183327|8.788931|5.448947|6.827311|5.694313|9.427942|0.144528|0.206906|8.901593|17.493093|6.239475|9.887961|7.058885|4.072072|3.403762|6.119641|3.852247|2.434738|2.612283|0.066024|0.060941|0.054414|0.047967|0.044598|0.049205|0.062464|0.078336|0.076004|0.110957|0.107541|0.144082|0.131148|0.139370|0.200035|0.131679|0.128602|0.173074|0.215265|0.500000| |2.472814|2.330089|2.013253|1.876431|1.966541|2.259429|2.512315|3.033473|3.764248|6.372483|6.633002|4.712070|6.622987|0.150017|8.794526|6.903006|5.518711|4.860914|7.620389|0.126977|0.143892|8.994125|17.637147|7.124745|14.177460|7.050245|4.282749|3.329901|5.659486|3.847887|2.372982|2.731902|0.077464|0.069384|0.061968|0.052656|0.047366|0.050856|0.064143|0.082062|0.084437|0.108441|0.116735|0.217230|0.156812|0.123097|0.139446|0.127121|0.107516|0.212964|0.212630|0.303618|0.500000| |2.308628|2.223605|1.919920|1.815448|1.938974|2.255187|2.466283|3.063749|3.216708|4.916053|5.488884|5.465177|7.390214|0.239573|4.842048|3.895525|4.048018|3.121460|4.135172|0.072753|0.087245|3.297295|4.452370|9.285400|10.798692|26.006562|9.196369|7.963881|16.376730|6.944902|4.087574|4.076195|0.067445|0.068836|0.057386|0.049719|0.045754|0.050590|0.065702|0.090018|0.090175|0.138557|0.156047|0.105442|0.089705|0.105737|0.121187|0.078965|0.078559|0.082951|0.084488|0.136109|0.123604|0.500000| |2.481303|2.255536|1.941384|1.781832|1.838604|2.099173|2.375112|2.874819|2.974171|4.686689|4.704435|4.125254|4.605566|0.118978|3.582973|3.363402|2.892941|2.428635|3.297920|0.060175|0.067172|2.759433|3.497265|6.945218|12.099269|12.439755|17.583984|8.802642|10.983296|9.399006|4.619299|6.836676|0.072659|0.076104|0.062668|0.051405|0.045096|0.047291|0.058785|0.079273|0.089647|0.098992|0.132652|0.100407|0.078586|0.076840|0.080325|0.064767|0.060842|0.073157|0.072794|0.098113|0.108486|0.189854|0.500000| |2.167592|1.999230|1.745418|1.619781|1.676181|1.897374|2.109309|2.512843|2.700843|4.364777|4.351882|3.682334|4.552671|0.120434|3.765243|3.337712|3.018111|2.571695|3.644113|0.066092|0.075516|3.125311|4.039421|6.922141|12.139487|12.450717|17.584032|8.817999|11.051443|9.380051|4.578961|6.583399|0.064314|0.064492|0.055262|0.046315|0.041278|0.043510|0.053512|0.069539|0.075313|0.089240|0.108518|0.100069|0.078745|0.077049|0.085485|0.067413|0.064107|0.080364|0.084831|0.118844|0.129017|0.188811|0.303308|0.500000| |1.658874|1.572554|1.420868|1.345985|1.390180|1.531576|1.644883|1.861679|1.839557|2.985456|2.747540|2.322819|2.479551|0.071237|2.106650|1.954174|1.915824|1.684133|2.295681|0.043147|0.048123|1.800241|2.091751|2.875269|4.780287|4.824359|4.367710|6.219414|9.994894|12.363522|17.550336|6.952830|0.046736|0.050003|0.043290|0.038012|0.034894|0.036738|0.043354|0.053017|0.055827|0.062191|0.069858|0.055404|0.048902|0.051880|0.055422|0.044510|0.044299|0.047395|0.048998|0.061282|0.060530|0.101003|0.119259|0.109409|0.500000| |1.539189|1.460425|1.324233|1.257393|1.298465|1.426273|1.526430|1.722968|1.739328|2.853821|2.619476|2.182033|2.405665|0.069351|2.092661|1.912208|1.904253|1.693319|2.355161|0.044350|0.049829|1.855826|2.144980|2.801630|4.695162|4.673659|4.261237|5.986321|9.492835|12.439073|17.580889|7.052394|0.043820|0.045793|0.040280|0.035484|0.032684|0.034410|0.040429|0.048864|0.050998|0.058073|0.064072|0.054431|0.048076|0.050724|0.055525|0.044478|0.044549|0.048379|0.051315|0.063886|0.062291|0.096983|0.109417|0.115326|0.300379|0.500000| |1.632960|1.567109|1.413175|1.348925|1.408038|1.560621|1.662940|1.899629|1.900588|3.071265|2.894977|2.485332|2.747622|0.081606|2.314817|2.078416|2.127568|1.852007|2.536292|0.047305|0.053960|1.971485|2.315487|3.145254|5.035873|5.486551|4.749431|7.658853|14.726582|12.470822|17.708807|5.655893|0.046323|0.048747|0.042305|0.037533|0.034898|0.037369|0.044678|0.054764|0.056140|0.067157|0.073040|0.058147|0.051866|0.057057|0.062916|0.048198|0.048884|0.051033|0.053729|0.069645|0.065975|0.121318|0.117760|0.118572|0.300320|0.300192|0.500000| 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