Version2.0 2020-01-23T08:02:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](C3CCCCC3)[C@@H](c4nnnn4C5CCCC5)C(C)C C13500677 RHF 6-31G(d) (6D,7F) CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](C3CCCCC3)[C@@H](c4nnnn4C5CCCC5)C(C)C C01[X(C28H41N6O2)] 225 C1 622 CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+]([C@@H](c1nnnn1C1CCCC1)C(C)C)C1CCCCC1 CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+]([C@@H](c1nnnn1C1CCCC1)C(C)C)C1CCCCC1 CCOc1ccc2NC(=O)C(=Cc2c1)C[NH+](C3CCCCC3)[C@H](C(C)C)c4nnnn4C5CCCC5 InChIKey=MAPBGMKPPIUUNK-AREMUKBSSA-O InChI=1S/C28H40N6O2/c1-4-36-24-14-15-25-20(17-24)16-21(28(35)29-25)18-33(22-10-6-5-7-11-22)26(19(2)3)27-30-31-32-34(27)23-12-8-9-13-23/h14-17,19,22-23,26H,4-13,18H2,1-3H3,(H,29,35)/p+1/t26-/m1/s1 InChI=1/C28H40N6O2/c1-4-36-24-14-15-25-20(17-24)16-21(28(35)29-25)18-33(22-10-6-5-7-11-22)26(19(2)3)27-30-31-32-34(27)23-12-8-9-13-23/h14-17,19,22-23,26H,4-13,18H2,1-3H3,(H,29,35)/p+1/t26-/m1/s1/fC28H41N6O2/h29,33H/q+1 CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](C3CCCCC3)[C@@H](c4nnnn4C5CCCC5)C(C)C C01[X(C28H41N6O2)] 225 C01 622 CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+]([C@@H](c1nnnn1C1CCCC1)C(C)C)C1CCCCC1 CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH]([C@@H]([C@H]1NNNN1C1CCCC1)C(C)C)C1CCCCC1 CCOc1ccc2NC(=O)C(=Cc2c1)C[NH](C3CCCCC3)[C@H](C(C)C)[C@H]4NNNN4C5CCCC5 InChIKey=SQINGGXVJYHUFS-SXOMAYOGSA-N InChI=1S/C28H45N6O2/c1-4-36-24-14-15-25-20(17-24)16-21(28(35)29-25)18-33(22-10-6-5-7-11-22)26(19(2)3)27-30-31-32-34(27)23-12-8-9-13-23/h14-17,19,22-23,26-27,30-33H,4-13,18H2,1-3H3,(H,29,35)/t26-,27+/m1/s1 InChI=1/C28H45N6O2/c1-4-36-24-14-15-25-20(17-24)16-21(28(35)29-25)18-33(22-10-6-5-7-11-22)26(19(2)3)27-30-31-32-34(27)23-12-8-9-13-23/h14-17,19,22-23,26-27,30-33H,4-13,18H2,1-3H3,(H,29,35)/t26-,27+/m1/s1/f/h29H 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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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8635.7866 37391.8761 41047.7865 0.99998 -0.00627 -0.00299 0.00625 0.99996 -0.00614 0.00303 0.00612 0.99998 1 0.01003 0.00232 0.00211 0.20898 0.04827 0.04397 13.96 20.79 32.22 46.03 49.73 56.62 64.79 74.79 94.07 105.24 122.17 135.23 153.20 160.72 169.72 177.31 186.08 207.88 230.34 242.74 304.32 313.91 329.14 363.99 375.50 386.16 395.57 399.95 406.53 422.41 436.39 445.49 462.29 497.44 506.15 533.41 576.31 577.88 616.56 620.39 628.36 656.09 680.27 691.87 716.68 735.27 747.64 783.06 797.58 806.82 831.70 893.44 939.50 956.40 964.56 970.56 991.60 1017.79 1061.71 1099.85 1146.91 1160.55 1170.60 1181.57 1209.26 1225.96 1249.90 1252.99 1278.83 1288.87 1298.51 1298.95 1302.21 1349.91 1351.90 1360.59 1368.14 1390.24 1398.52 1413.35 1420.10 1432.02 1440.00 1447.27 1452.83 1464.90 1486.55 1496.12 1500.43 1510.82 1521.34 1538.30 1556.48 1569.99 1579.97 1593.76 1601.27 1623.03 1627.12 1656.23 1664.36 1675.04 1688.55 1729.87 1731.81 1744.84 1749.68 1758.98 1792.95 1800.03 1821.32 1827.95 1838.86 1856.29 1868.45 1882.20 1890.90 1899.20 1907.28 1945.62 1953.60 1972.45 1987.74 1998.56 2005.94 2013.84 2018.19 2024.53 2030.59 2045.50 2060.62 2063.70 2067.22 2086.88 2099.14 2106.05 2130.95 2132.67 2141.45 2148.61 2156.97 2163.73 2170.28 2180.17 2187.33 2198.54 2203.90 2207.82 2226.12 2226.58 2236.32 2247.28 2257.71 2273.33 2279.81 2287.16 2295.80 2296.77 2315.86 2330.56 2342.79 2345.25 2346.63 2349.44 2351.62 2354.33 2355.34 2360.74 2361.09 2365.25 2368.12 2371.75 2373.95 2384.24 2389.15 2392.90 2397.21 2405.50 2424.90 2499.27 2560.82 2604.42 2652.82 2759.82 4592.71 4596.00 4599.33 4617.02 4619.76 4620.03 4631.07 4632.72 4636.76 4639.16 4643.79 4644.52 4654.24 4654.45 4657.55 4677.69 4689.37 4693.76 4698.95 4708.17 4710.44 4725.03 4729.02 4729.35 4736.79 4736.85 4739.47 4742.10 4751.14 4752.08 4768.45 4812.11 4838.98 4851.13 4854.79 4856.28 4876.41 4920.94 4948.30 5363.29 5523.73 0.727410 0.759733 0.760677 0.659309 -1559.650886 -1559.618564 -1559.617619 -1559.718987 3.399899D-04 MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCOc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+](C3CCCCC3)[C@@H](c4nnnn4C5CCCC5)C(C)C C13500677 RHF 6-31G(d) (6D,10F) C1 493.329100 |X|Y|Z| 60.521505 39.658156 139.046802 69.364045 29 6 7 23 6 |36.858105| |12.582503|36.858105| |8.066914|13.479807|73.516695| |5.229228|7.953467|25.235202|36.858105| |4.385322|6.656628|13.946599|13.613757|36.858105| |3.334044|4.493269|9.226370|7.881595|13.815593|36.858105| |2.969998|3.771436|8.189243|6.814703|7.942833|13.722883|36.858105| |3.192975|3.965525|9.393631|7.901859|6.887067|7.929503|13.665816|36.858105| |4.092756|5.248411|14.636130|13.814706|7.965580|6.871309|7.889657|13.658690|36.858105| |2.670939|3.122669|7.051673|5.083873|4.526336|5.143294|7.852808|13.196454|7.653548|36.858105| |2.275835|2.628248|5.628749|3.922846|3.783205|4.533510|6.770067|7.790193|5.121088|14.182178|36.858105| |2.185059|2.564230|5.312862|3.750744|3.935094|5.149637|7.797331|6.673353|4.483270|7.808873|12.897551|36.858105| |1.925590|2.221869|4.479932|3.047825|3.227561|4.084155|5.390431|4.688796|3.490876|5.368080|8.063058|15.760709|73.516695| |2.443123|2.967943|6.135123|4.556327|5.179708|7.855680|13.744665|7.965677|5.190260|6.986715|7.947778|14.045129|15.116280|53.358707| |2.299636|2.785358|5.551072|3.998099|4.769212|7.256161|9.218570|5.782968|4.257836|5.115057|5.790008|9.559488|14.043449|25.969047|0.500000| |1.980049|2.216720|4.639104|3.059875|2.924321|3.339763|4.413428|4.957858|3.819417|7.620578|12.638687|7.467704|11.882398|6.895503|0.116679|36.858105| |1.851664|2.045776|4.232681|2.728861|2.605146|2.916149|3.680942|4.076026|3.322001|5.660481|7.532367|5.551787|9.522638|5.613114|0.098969|12.423024|53.358707| |1.986562|2.198850|4.608322|2.978351|2.794914|3.092741|3.922828|4.508141|3.694280|6.343662|7.596992|5.389838|8.648469|5.734943|0.099479|9.390120|25.780215|0.500000| |1.726322|1.916891|3.882752|2.507028|2.479480|2.832656|3.495851|3.588851|2.930994|4.498377|6.005096|5.540952|10.730690|5.618763|0.103538|7.487403|16.847885|0.261182|36.858105| |1.539563|1.695187|3.375594|2.149100|2.149166|2.441953|2.918498|2.927541|2.451822|3.528323|4.555517|4.499811|9.509039|4.714096|0.090580|5.819016|10.102626|0.157491|12.476703|36.858105| |1.454455|1.604113|3.144908|1.995921|2.037486|2.327195|2.703440|2.615677|2.217799|2.986579|3.708666|3.976082|8.676953|4.403747|0.088248|4.192742|6.662857|0.117215|7.649890|12.405139|36.858105| |1.425303|1.563203|3.050694|1.917352|1.949690|2.194040|2.502747|2.441192|2.112601|2.734892|3.244902|3.394714|6.907353|3.941673|0.078935|3.534390|5.892582|0.110916|6.512271|7.510455|12.448019|36.858105| |1.568874|1.730104|3.407281|2.155900|2.180730|2.455376|2.829319|2.783106|2.395197|3.119318|3.660140|3.762843|7.284738|4.403468|0.086503|3.831708|6.692454|0.134660|7.618536|6.422386|7.533857|12.446096|36.858105| |1.679297|1.848517|3.712148|2.356914|2.323373|2.596262|3.085644|3.175481|2.703501|3.762551|4.478832|4.208406|7.773740|4.724872|0.088878|4.963712|10.245004|0.211133|12.452252|7.510672|6.441360|7.516081|12.401287|36.858105| |1.694241|1.832083|3.748428|2.342487|2.210910|2.400907|2.898457|3.225611|2.795205|4.217441|4.925982|3.895156|6.837540|4.254884|0.077361|7.303467|17.065308|0.262994|7.417130|6.207782|4.215681|3.869706|4.147923|6.002835|36.858105| |1.601568|1.725956|3.492356|2.167836|2.066195|2.240057|2.655946|2.890512|2.536025|3.612800|4.162304|3.502120|6.291229|3.910465|0.072392|5.544350|12.605327|0.219049|7.605746|6.557182|4.561883|4.429689|4.759172|7.191842|17.702226|0.500000| |1.561671|1.680890|3.396904|2.108568|2.010962|2.185004|2.598648|2.827676|2.471111|3.587140|4.216248|3.512042|6.402497|3.857488|0.071492|6.282155|10.237897|0.159607|5.677283|5.965249|4.057896|3.520473|3.480069|4.473234|12.652273|0.252526|36.858105| |1.582757|1.709196|3.454095|2.153036|2.059787|2.248114|2.683404|2.907985|2.524416|3.696413|4.389470|3.671601|6.711851|4.007283|0.074248|6.654666|8.527885|0.136276|4.855262|5.209873|3.714537|3.114753|3.047458|3.725000|7.600736|0.160657|14.717304|53.358707| |1.435720|1.537443|3.062856|1.884852|1.816614|1.967306|2.289136|2.435621|2.160880|2.956110|3.399353|3.007183|5.597610|3.399492|0.064419|4.593180|6.054068|0.102644|3.834987|4.364656|3.338438|2.821816|2.673566|3.119155|5.329453|0.127164|9.063157|19.456472|53.358707| |1.353263|1.440773|2.854270|1.743160|1.680981|1.809771|2.082987|2.209101|1.982078|2.641865|2.996259|2.682736|5.008551|3.075876|0.058709|3.923581|5.636607|0.097239|3.707474|4.304784|3.344689|2.907138|2.714263|3.154618|5.297919|0.135909|8.910251|12.197909|20.720075|53.358707| |1.411414|1.505381|3.000958|1.838198|1.763926|1.900447|2.205699|2.361154|2.108659|2.867491|3.269544|2.866061|5.307356|3.253553|0.061548|4.389330|6.975427|0.118310|4.480348|5.082953|3.748414|3.335530|3.166989|3.852899|7.560058|0.200455|14.261319|12.170128|12.437203|19.562644|53.358707| |1.322668|1.401048|2.770658|1.680660|1.615360|1.726379|1.971971|2.098011|1.903442|2.482451|2.764077|2.475990|4.575336|2.880797|0.055037|3.481206|5.727055|0.103034|3.938121|4.397900|3.499554|3.323598|3.133760|3.725295|5.929705|0.186001|7.386863|7.233951|7.472450|10.724036|17.630418|36.858105| |1.217307|1.290623|2.524609|1.530628|1.490973|1.600357|1.806965|1.881844|1.707413|2.176550|2.437599|2.269740|4.290122|2.666254|0.051787|2.969308|4.721566|0.085458|3.515433|4.199340|3.593274|3.418530|3.036051|3.370833|4.317714|0.135332|5.174554|5.760384|6.292144|8.702858|10.310264|12.270073|36.858105| |1.131082|1.189240|2.311809|1.387213|1.347886|1.432152|1.597098|1.665854|1.534666|1.898819|2.080165|1.941802|3.627115|2.325536|0.045351|2.470041|3.783065|0.070315|2.755097|3.148505|2.799417|2.700372|2.452711|2.673938|3.379354|0.101677|3.972622|4.721443|5.344916|7.186515|7.436866|7.758038|12.408569|36.858105| |1.154348|1.206030|2.351255|1.401228|1.347930|1.418898|1.580494|1.670369|1.555280|1.907112|2.051841|1.881584|3.448548|2.268888|0.043926|2.424424|3.750869|0.071201|2.644058|2.870887|2.522037|2.485840|2.348185|2.618914|3.451340|0.103960|3.898352|4.532698|4.944199|6.441868|7.086995|7.832233|7.907201|12.443269|36.858105| |1.265632|1.325767|2.611308|1.562755|1.490605|1.570606|1.771296|1.898741|1.758925|2.213392|2.386411|2.132535|3.871503|2.538479|0.048568|2.905594|4.557376|0.085560|3.061332|3.260714|2.726247|2.637894|2.545772|2.961270|4.506501|0.132866|5.295123|5.829343|6.254914|8.502795|10.365651|12.321070|7.686314|7.943849|12.431652|36.858105| |1.774895|1.891298|3.904308|2.391313|2.193914|2.313708|2.750060|3.180665|2.880546|4.108201|4.301507|3.336872|5.604542|3.841646|0.069516|5.593203|10.041157|0.210238|4.927159|4.141090|3.169497|3.045706|3.345093|4.562026|12.234299|0.250426|7.506714|7.713844|5.935080|5.921932|7.726650|4.951193|3.598032|3.038230|3.298396|4.374185|36.858105| |1.906834|2.022237|4.229505|2.574037|2.310051|2.401712|2.859117|3.421135|3.160934|4.490529|4.415588|3.319386|5.417159|3.887342|0.069633|5.560934|7.910264|0.165214|3.984315|3.450059|2.721829|2.556744|2.768369|3.549232|7.234287|0.151486|6.063551|7.592000|5.859204|5.452416|6.350877|3.903938|2.998401|2.643948|2.845307|3.677028|12.428640|36.858105| |1.870784|1.987711|4.118273|2.503769|2.275727|2.369582|2.784783|3.245400|3.007209|4.039908|4.024568|3.191932|5.265374|3.799537|0.068775|4.631436|8.401313|0.209429|4.615762|3.672712|2.978605|3.014515|3.499689|4.827447|7.435135|0.197783|4.896780|5.420512|4.434220|4.471514|5.567128|3.922619|3.063045|2.633304|2.872080|3.559370|12.412656|7.533962|36.858105| |17.582519|8.865585|12.930781|4.872921|4.008073|3.131395|2.857200|3.123187|4.003563|2.655236|2.257020|2.143454|3.362203|3.223316|0.061600|1.976509|2.552605|0.056373|1.745034|1.546874|1.459478|1.441814|1.597790|1.716729|1.724324|0.045461|1.575614|2.154274|1.950703|1.848905|1.940410|1.343534|1.232591|1.145422|1.174678|1.288502|1.823803|1.949499|1.950464|0.500000| |17.583968|8.866189|12.926131|4.887067|4.010699|3.136762|2.866219|3.137483|4.025789|2.670152|2.266386|2.150614|3.371670|3.232820|0.061777|1.989759|2.510890|0.054703|1.702016|1.525401|1.431089|1.394014|1.524779|1.642268|1.700488|0.044381|1.578395|2.191301|1.991354|1.869946|1.941221|1.331070|1.221340|1.138385|1.163754|1.279537|1.792488|1.953844|1.869965|0.300764|0.500000| |17.566060|8.891772|10.240627|4.235894|3.834285|3.002331|2.648339|2.768223|3.389496|2.349385|2.045661|1.992327|3.161252|3.028990|0.059056|1.796444|2.297640|0.049968|1.590818|1.431535|1.363423|1.338863|1.465449|1.552779|1.551384|0.040966|1.439384|1.985685|1.814652|1.715704|1.783309|1.232962|1.142176|1.064887|1.084415|1.181710|1.614657|1.721022|1.696288|0.300617|0.300608|0.500000| |8.848036|17.550597|16.508554|7.050594|6.745159|4.592959|3.740162|3.788904|4.772624|2.987676|2.559235|2.541495|3.938847|4.043694|0.078475|2.154112|2.742839|0.060344|1.917506|1.691361|1.616960|1.588504|1.768620|1.870019|1.796041|0.047408|1.639380|2.252378|2.027901|1.910711|2.004401|1.378655|1.275935|1.173213|1.187542|1.299746|1.840131|1.934575|1.952073|0.212247|0.173412|0.212735|0.500000| |8.845760|17.552314|16.511664|7.098531|6.760667|4.611406|3.761763|3.816099|4.812984|3.010024|2.573659|2.554109|3.954946|4.063594|0.078859|2.171855|2.691853|0.058321|1.861192|1.663682|1.578828|1.525424|1.671276|1.775172|1.769504|0.046194|1.642841|2.295299|2.074105|1.934313|2.005654|1.365414|1.263648|1.165814|1.176421|1.290744|1.808352|1.939284|1.871728|0.173384|0.212272|0.212596|0.300523|0.500000| |4.663795|7.387604|12.477014|8.850489|17.772165|9.019125|5.670289|4.963800|5.654758|3.607915|3.135165|3.298261|4.999266|5.718862|0.113078|2.518529|3.103880|0.067407|2.199928|1.938677|1.862366|1.793917|1.989555|2.086666|1.969276|0.051596|1.808274|2.517291|2.249161|2.093463|2.186318|1.482727|1.379173|1.254811|1.253935|1.375848|1.955867|2.047912|2.030112|0.114804|0.114573|0.117739|0.226042|0.224327|0.500000| |2.978391|3.899177|7.445093|5.624438|8.957357|17.719196|8.897208|5.635692|4.951356|4.172699|3.939897|4.728552|7.074826|9.701911|0.215874|3.020275|3.638846|0.077495|2.675173|2.355480|2.297394|2.164276|2.393327|2.463549|2.219200|0.058141|2.044784|2.865057|2.538218|2.344216|2.448070|1.642249|1.540967|1.381004|1.359155|1.491629|2.111092|2.163871|2.151115|0.077523|0.077597|0.076701|0.113515|0.113771|0.218475|0.500000| |4.115362|4.860978|13.510116|9.002275|5.666302|4.952163|5.616199|8.857781|17.729637|6.968140|4.678345|3.890849|5.557350|5.712068|0.097765|3.724349|4.488094|0.102858|2.827344|2.371684|2.119775|2.030928|2.296817|2.632687|2.860217|0.071612|2.516076|3.480855|2.977782|2.739495|2.923551|1.942446|1.723030|1.557090|1.594417|1.815181|3.061954|3.462324|3.223598|0.115185|0.116065|0.093223|0.119858|0.120910|0.124382|0.107515|0.500000| |2.678363|3.036906|6.922820|4.683675|3.952943|4.182417|5.627013|8.822505|7.069946|17.691837|9.062896|5.559401|7.607971|6.819385|0.110249|7.013929|7.553127|0.177159|4.144934|3.302523|2.758015|2.559883|2.902368|3.566927|4.456556|0.103737|3.740583|5.204293|4.137242|3.707076|4.048602|2.572310|2.209973|1.942712|1.981159|2.330234|4.697376|5.543258|4.602116|0.074852|0.075469|0.064966|0.079549|0.080319|0.090002|0.096321|0.212048|0.500000| |1.831414|2.046608|4.198575|2.749711|2.697052|3.114330|4.002378|4.202590|3.303422|5.735256|8.903422|7.224012|13.485427|6.566113|0.116238|17.756419|12.251835|0.183964|7.186222|6.624946|4.657479|3.672176|3.762687|4.603199|6.281869|0.140213|6.333787|10.036350|7.008666|5.770024|6.188259|3.517811|3.095373|2.553794|2.441181|2.888855|4.636309|4.554846|3.826180|0.050440|0.051149|0.046600|0.055395|0.056351|0.065498|0.080395|0.088307|0.144172|0.500000| |1.998454|2.208700|4.649918|3.008794|2.799661|3.094818|3.973684|4.676784|3.794109|7.153222|8.907457|5.621740|8.894718|5.808291|0.099755|17.760260|12.278883|0.212758|5.554719|4.683372|3.494244|3.028459|3.240114|4.124571|7.232690|0.145107|6.627532|10.265230|6.802831|5.630943|6.186503|3.523449|2.926539|2.484280|2.479614|3.032112|6.264110|7.196795|4.809019|0.055436|0.056454|0.050164|0.058848|0.060087|0.067258|0.077124|0.106820|0.212370|0.304673|0.500000| |1.823806|2.056576|4.173062|2.752398|2.777615|3.275945|4.153595|4.091229|3.213699|5.045464|7.205951|7.503269|15.167522|7.108956|0.129958|7.608144|12.517341|0.222970|17.715528|9.003030|7.106351|5.884042|7.047132|8.945223|5.568751|0.150203|4.582964|5.790974|4.658435|4.384352|5.029649|3.251287|2.974449|2.409685|2.309883|2.630672|4.139774|3.595461|3.987763|0.050913|0.049704|0.046651|0.057398|0.055692|0.067837|0.086291|0.083731|0.121151|0.206179|0.149409|0.500000| |1.546515|1.706702|3.399948|2.172649|2.178820|2.490751|2.995840|2.989710|2.483111|3.629662|4.807171|4.810049|10.579666|4.912884|0.094476|6.409712|9.334477|0.142974|8.800032|17.602084|8.835372|5.491724|4.826181|5.476746|5.747737|0.152979|6.211694|8.273884|6.872887|6.360740|7.012834|4.158750|3.973523|3.058262|2.762015|3.156085|3.938705|3.464522|3.373363|0.042867|0.042792|0.039941|0.046988|0.046897|0.054500|0.066822|0.066500|0.093721|0.234039|0.142833|0.214857|0.500000| |1.459446|1.589245|3.155115|1.979675|1.957874|2.181995|2.565584|2.622126|2.251676|3.145479|3.867860|3.672119|7.366261|4.003126|0.076924|5.000126|9.018224|0.144134|8.804538|17.540178|8.867095|6.813150|5.683423|6.814606|6.782956|0.218736|6.904058|7.451647|6.480733|6.871482|8.700373|5.703835|5.481160|3.809541|3.412597|3.907186|4.409394|3.533361|3.811288|0.040891|0.040292|0.037750|0.043944|0.043210|0.049374|0.058292|0.061457|0.084491|0.151631|0.120153|0.174844|0.302000|0.500000| |1.510168|1.681915|3.290381|2.111243|2.191333|2.552322|2.972288|2.789477|2.330763|3.129058|3.943499|4.540983|10.579438|5.015821|0.102884|4.216085|6.250659|0.112450|6.920676|8.861573|17.540425|8.820418|6.757436|5.651290|3.761152|0.108439|3.599258|4.675929|4.176108|4.060183|4.429291|2.988277|3.018691|2.438991|2.225824|2.407846|2.921395|2.586925|2.777209|0.041888|0.041146|0.039359|0.047250|0.046198|0.055575|0.070864|0.060925|0.078260|0.131565|0.095954|0.211997|0.215979|0.174217|0.500000| |1.353858|1.484061|2.887443|1.816041|1.854887|2.100103|2.400971|2.323946|1.999702|2.624209|3.188556|3.401403|7.348172|3.858823|0.078198|3.622611|5.521168|0.097618|5.554688|8.873168|17.572414|8.813595|5.491030|4.840286|3.715842|0.110847|3.797256|4.830700|4.547755|4.621785|5.008471|3.472355|3.764364|2.937622|2.565944|2.713589|2.859804|2.495067|2.649096|0.037647|0.037122|0.035406|0.041451|0.040759|0.047488|0.057944|0.053342|0.068113|0.113783|0.086858|0.144039|0.214114|0.216237|0.303765|0.500000| |1.365731|1.497353|2.892027|1.810573|1.860953|2.092605|2.341347|2.248057|1.964138|2.455886|2.861352|3.068430|6.246362|3.676127|0.075182|3.020252|4.792080|0.092078|4.888036|5.483013|8.830502|17.567397|8.842953|5.488415|3.174021|0.098333|2.950302|3.649223|3.371499|3.459029|3.859709|2.843641|2.982094|2.435208|2.236690|2.327626|2.599251|2.237471|2.596080|0.038312|0.036991|0.035836|0.042478|0.040702|0.048020|0.058109|0.052192|0.063644|0.087453|0.072961|0.131565|0.123381|0.139763|0.214389|0.211177|0.500000| |1.355850|1.473172|2.871512|1.785045|1.795594|1.990527|2.255788|2.239623|1.968146|2.521586|2.935371|2.968289|5.889621|3.474845|0.069051|3.278554|5.561984|0.104539|5.668604|6.754983|8.841854|17.501097|8.848483|6.752702|3.931277|0.130351|3.625702|4.248856|3.922432|4.172148|4.872604|3.741371|3.969385|3.060584|2.792077|2.916842|3.107408|2.560250|3.057854|0.038210|0.036960|0.035406|0.041440|0.039863|0.046049|0.054238|0.053211|0.066937|0.093975|0.080194|0.134229|0.139263|0.200224|0.173403|0.214994|0.303768|0.500000| |1.646765|1.837175|3.611449|2.313782|2.382324|2.732791|3.148923|3.004402|2.550024|3.286884|3.875053|4.208326|8.205310|5.009194|0.099906|3.824581|6.263254|0.128337|6.878502|5.628730|6.764287|8.840690|17.526657|8.846938|3.704308|0.111854|3.154121|3.893443|3.407698|3.385739|3.852713|2.736955|2.647581|2.187036|2.096308|2.272699|3.061183|2.625666|3.209184|0.046422|0.044206|0.042752|0.052530|0.049387|0.060272|0.074745|0.066705|0.082689|0.104452|0.088634|0.209253|0.126156|0.131268|0.197966|0.138973|0.215424|0.173678|0.500000| |1.520667|1.663957|3.254025|2.032373|2.047562|2.266022|2.555272|2.531472|2.232548|2.781976|3.137977|3.179773|5.980169|3.859376|0.076162|3.241583|5.554305|0.115603|5.538303|4.831846|5.487984|8.799705|17.570124|8.859833|3.640515|0.117313|3.066493|3.649734|3.256374|3.347137|3.893344|2.922155|2.848528|2.347746|2.277587|2.430949|3.088844|2.558369|3.341872|0.043273|0.040919|0.039585|0.047482|0.044427|0.052364|0.061430|0.059917|0.073079|0.087319|0.078623|0.143020|0.106533|0.127504|0.138734|0.123126|0.211110|0.215012|0.303664|0.500000| |1.582255|1.719187|3.437195|2.145769|2.092513|2.294455|2.681389|2.803413|2.450644|3.314954|3.817912|3.501282|6.433450|4.009068|0.075813|4.405638|9.109600|0.183716|8.756878|6.771779|5.662032|6.784483|8.870036|17.531263|6.500487|0.252140|4.780418|5.144602|4.383860|4.597944|5.840010|4.386082|3.894112|3.021414|2.996184|3.403341|4.951509|3.645141|5.239457|0.045081|0.043180|0.040725|0.048106|0.045822|0.052620|0.060466|0.067487|0.090379|0.114385|0.107188|0.173883|0.139121|0.200802|0.131082|0.126980|0.139456|0.199034|0.174143|0.216919|0.500000| |1.816282|2.005316|4.064722|2.587706|2.523497|2.796663|3.333455|3.497485|2.993643|4.112194|4.670460|4.265457|7.415978|4.945116|0.091454|4.826050|9.546262|0.233001|8.797973|5.476118|4.836433|5.486367|8.816992|17.511722|5.478560|0.171085|3.982153|4.619423|3.855953|3.851968|4.630046|3.286795|2.926728|2.401181|2.404521|2.726266|4.612819|3.643477|5.358737|0.051964|0.049068|0.046389|0.056604|0.052924|0.062527|0.072689|0.081157|0.108688|0.118046|0.113376|0.213743|0.122876|0.139614|0.126690|0.106655|0.123360|0.138912|0.215745|0.213111|0.302221|0.500000| |1.373028|1.456922|2.891237|1.757167|1.684976|1.801033|2.064416|2.205583|1.997774|2.619651|2.911943|2.588884|4.748167|3.009073|0.057226|3.642422|6.394736|0.117108|4.433588|4.716406|3.727124|3.686504|3.576738|4.416771|6.883299|0.250138|7.097040|6.643611|6.283740|7.949581|12.672333|17.635307|8.761422|5.896029|6.317362|8.765735|5.664413|4.105876|4.644595|0.038923|0.038218|0.035479|0.039978|0.039222|0.042850|0.047442|0.056670|0.075459|0.099373|0.100539|0.098700|0.117299|0.172196|0.087453|0.099402|0.085882|0.117198|0.084686|0.093380|0.153664|0.107341|0.500000| |1.205337|1.278967|2.495364|1.512968|1.479100|1.588864|1.787217|1.850765|1.680294|2.123025|2.374069|2.234298|4.232902|2.639636|0.051480|2.834649|4.610807|0.084806|3.576239|4.243366|3.790457|3.794570|3.315086|3.599512|4.092670|0.134557|4.497756|4.991966|5.182282|6.580092|7.954026|8.814484|17.557050|8.809262|6.639374|6.087672|3.419525|2.800626|3.042620|0.033991|0.033441|0.031461|0.035303|0.034693|0.038082|0.042625|0.046942|0.059497|0.081267|0.076226|0.083637|0.106600|0.154930|0.086864|0.110030|0.091717|0.128442|0.078588|0.087825|0.118661|0.085744|0.232388|0.500000| |1.219999|1.299925|2.540003|1.548811|1.519286|1.643731|1.860943|1.919219|1.725562|2.220330|2.527299|2.387976|4.597423|2.781153|0.054290|3.100473|4.806426|0.085186|3.658894|4.654225|3.980220|3.593279|3.086608|3.365913|4.214233|0.127530|5.285984|6.186989|7.002940|9.602437|10.169733|8.664752|17.614156|8.668359|5.689506|5.784985|3.389966|2.898538|2.867842|0.034159|0.034006|0.031826|0.035688|0.035519|0.039019|0.044159|0.048012|0.061894|0.092618|0.083882|0.086782|0.126502|0.169416|0.092180|0.120309|0.087211|0.113869|0.075565|0.078771|0.104417|0.080210|0.185365|0.302658|0.500000| |1.072740|1.126705|2.177821|1.303971|1.273197|1.351887|1.496376|1.548893|1.431451|1.744851|1.905397|1.803250|3.380335|2.179047|0.042790|2.219484|3.381837|0.063516|2.518815|2.878010|2.656739|2.607642|2.342616|2.486906|2.922110|0.088455|3.312932|4.012300|4.458626|5.645078|5.798143|5.626314|8.704187|17.590297|8.671969|5.646965|2.643092|2.317893|2.359767|0.030178|0.029923|0.028151|0.030972|0.030700|0.033074|0.036394|0.040201|0.049278|0.063806|0.061416|0.061919|0.077116|0.095074|0.064500|0.078387|0.066451|0.082704|0.058122|0.063000|0.077616|0.062160|0.132158|0.220639|0.194101|0.500000| |1.118160|1.175144|2.282219|1.368868|1.330728|1.413766|1.575258|1.641730|1.513081|1.869952|2.048199|1.914671|3.580143|2.294332|0.044792|2.436910|3.626108|0.067025|2.607719|2.993571|2.651745|2.495148|2.269073|2.469420|3.198958|0.092846|3.901001|4.856542|5.800393|7.922665|7.290647|6.529499|8.810619|17.559586|8.833854|6.929560|2.888141|2.595395|2.466974|0.031346|0.031363|0.029259|0.032098|0.032120|0.034434|0.037895|0.042639|0.053158|0.070770|0.068766|0.064202|0.083216|0.098342|0.065116|0.077847|0.062941|0.076781|0.057044|0.059823|0.075787|0.062005|0.136320|0.174815|0.219611|0.302111|0.500000| |1.144458|1.194349|2.324453|1.382686|1.330811|1.398322|1.552244|1.638216|1.530050|1.859266|1.991334|1.832974|3.351900|2.222525|0.043090|2.321209|3.650556|0.070329|2.613412|2.795417|2.499011|2.535276|2.412057|2.672218|3.318698|0.102954|3.549285|4.080617|4.289712|5.350942|6.106665|6.710269|6.873373|8.807734|17.525018|8.786904|3.202687|2.710136|2.898384|0.032462|0.031939|0.029892|0.032791|0.032256|0.034447|0.037238|0.043554|0.053552|0.064305|0.065263|0.063320|0.073154|0.092093|0.061082|0.070108|0.063531|0.080185|0.059305|0.066056|0.086283|0.068374|0.173114|0.187813|0.138415|0.214874|0.173669|0.500000| |1.108118|1.151851|2.237500|1.325493|1.273216|1.332799|1.474896|1.559562|1.464186|1.766022|1.879950|1.727936|3.150871|2.103291|0.040802|2.192674|3.314854|0.063517|2.320742|2.492020|2.216930|2.179500|2.073458|2.290902|2.982328|0.087540|3.352987|4.051307|4.468942|5.621252|5.825985|5.625575|5.631908|8.668586|17.591940|8.720758|2.931381|2.619673|2.578541|0.031307|0.031112|0.028973|0.031443|0.031249|0.033016|0.035486|0.041814|0.051121|0.061268|0.062847|0.057259|0.067499|0.080116|0.055200|0.062745|0.055181|0.066982|0.052101|0.056080|0.071492|0.059246|0.131608|0.135751|0.125428|0.197756|0.215367|0.302388|0.500000| |1.263641|1.321820|2.603741|1.556069|1.481769|1.558850|1.757389|1.887837|1.752303|2.202493|2.367090|2.109449|3.820859|2.513374|0.048060|2.893639|4.359665|0.081342|2.875857|3.073052|2.563082|2.425058|2.338559|2.704011|4.225783|0.117412|5.278596|6.215842|7.098244|9.859422|10.261994|8.823621|6.289978|6.849788|8.847577|17.587094|4.154076|3.727184|3.296787|0.035605|0.035658|0.032769|0.035823|0.035883|0.037994|0.041090|0.050340|0.064681|0.080642|0.085618|0.069801|0.085238|0.099714|0.063821|0.071272|0.059920|0.073022|0.058941|0.061534|0.083857|0.069704|0.177397|0.135931|0.147267|0.138512|0.196061|0.174002|0.218728|0.500000| |1.304815|1.360738|2.688649|1.600693|1.514203|1.583799|1.784221|1.933182|1.807234|2.253957|2.388815|2.108057|3.770249|2.527195|0.048101|2.874604|4.560126|0.087958|2.997659|3.058656|2.566640|2.530231|2.512812|2.966317|4.561797|0.134749|4.920433|5.384917|5.464897|6.817039|8.467815|8.664401|5.666448|5.657084|8.645875|17.566923|4.831812|3.983345|3.998901|0.037083|0.036653|0.033761|0.037033|0.036611|0.038787|0.041562|0.052270|0.066785|0.077400|0.084102|0.071737|0.081328|0.099570|0.063588|0.069694|0.062085|0.077157|0.062418|0.067400|0.095332|0.077538|0.223595|0.138949|0.125151|0.124569|0.139162|0.215391|0.196978|0.302097|0.500000| |1.627564|1.716616|3.493154|2.110551|1.950818|2.044760|2.380210|2.694720|2.483680|3.337336|3.493798|2.846182|4.888466|3.331328|0.061362|4.416803|7.551550|0.151437|4.185179|3.776731|2.958249|2.874214|3.065684|4.009046|9.152685|0.227072|7.236779|7.233797|6.013062|6.388739|8.608224|5.920726|4.016867|3.445842|3.919094|5.544617|17.536866|8.987973|8.984468|0.046471|0.045738|0.041419|0.046452|0.045729|0.048899|0.052402|0.073167|0.103708|0.108593|0.135383|0.097845|0.099729|0.116581|0.074711|0.075893|0.068665|0.083602|0.076974|0.080049|0.126007|0.109621|0.188869|0.104416|0.101238|0.081712|0.090005|0.105136|0.095832|0.142652|0.182077|0.500000| |2.129969|2.282749|4.884997|3.012693|2.648547|2.746373|3.337010|4.186837|3.848129|5.796777|5.308172|3.764669|5.900754|4.431022|0.077651|6.277690|8.177240|0.181417|4.058878|3.386365|2.705638|2.534144|2.794958|3.571219|6.256848|0.133975|5.107011|6.748333|5.190328|4.716770|5.343366|3.320070|2.663982|2.347856|2.477735|3.079275|8.718060|17.569960|6.923535|0.060427|0.060698|0.052817|0.060260|0.060546|0.064197|0.067466|0.119552|0.220734|0.134378|0.233120|0.105746|0.095024|0.092842|0.072945|0.068125|0.061949|0.069111|0.075237|0.071376|0.097997|0.104741|0.097435|0.070132|0.072677|0.058084|0.064134|0.066179|0.063688|0.086258|0.090985|0.174171|0.500000| |1.885859|1.966681|4.089298|2.431376|2.163128|2.206593|2.564046|3.054616|2.934737|3.798975|3.616418|2.834710|4.643056|3.425143|0.062076|4.245790|6.057143|0.129425|3.310640|2.922303|2.385846|2.283748|2.468957|3.081153|5.402150|0.124787|4.743688|5.984640|4.992004|4.785654|5.445414|3.543074|2.757048|2.505898|2.764064|3.532351|8.887404|17.580115|6.850353|0.053930|0.053939|0.047306|0.052113|0.052133|0.053792|0.055360|0.090974|0.129422|0.100565|0.143536|0.084036|0.080869|0.083844|0.063089|0.061398|0.056236|0.064028|0.065113|0.064636|0.088965|0.088780|0.103107|0.071896|0.072991|0.061399|0.068286|0.073611|0.071939|0.099785|0.109788|0.222714|0.304177|0.500000| |1.809353|1.920118|3.975486|2.422977|2.203427|2.307302|2.737530|3.205221|2.934517|4.160133|4.241290|3.257601|5.417162|3.781671|0.068309|5.572473|7.309660|0.141122|3.793765|3.459657|2.709223|2.483244|2.612081|3.265341|6.710621|0.139319|6.811526|9.483390|7.191140|6.355699|7.044296|4.059537|3.118701|2.768005|2.937904|3.842422|8.698457|17.605017|5.463962|0.050874|0.051769|0.045620|0.050854|0.051760|0.054524|0.058242|0.087811|0.137048|0.133981|0.212322|0.095670|0.099900|0.098885|0.071538|0.070097|0.060596|0.069155|0.068999|0.066521|0.092843|0.090325|0.112777|0.078899|0.085064|0.066703|0.077095|0.075851|0.075594|0.112959|0.111765|0.209128|0.300936|0.302398|0.500000| |2.073201|2.228314|4.701055|2.896759|2.598232|2.704582|3.230122|3.877982|3.570125|4.914796|4.691875|3.606457|5.750845|4.325088|0.076881|5.051793|8.864007|0.252281|4.814857|3.639265|2.990974|3.015995|3.611624|4.990337|6.450844|0.165322|4.367465|5.094326|4.125914|4.045113|4.867614|3.345962|2.722723|2.347758|2.500288|3.012680|8.670295|6.804139|17.512672|0.060246|0.057251|0.051752|0.060875|0.057802|0.063514|0.067163|0.106808|0.158063|0.111455|0.142215|0.120746|0.093430|0.100415|0.079333|0.072861|0.072616|0.082589|0.094855|0.094992|0.139203|0.165195|0.106988|0.075420|0.072426|0.059139|0.061725|0.069837|0.062970|0.078945|0.091218|0.173429|0.204977|0.167301|0.139576|0.500000| |1.749112|1.859389|3.795562|2.306413|2.135763|2.238809|2.600847|2.934707|2.706274|3.540547|3.638744|3.021578|5.106591|3.606151|0.066266|4.145477|7.860326|0.189516|4.803689|3.835493|3.165322|3.331929|3.942205|5.556929|6.923619|0.218493|4.624971|4.995841|4.195638|4.351319|5.512184|4.115699|3.256029|2.758918|3.010659|3.651109|8.697814|5.462813|17.552255|0.050684|0.048211|0.044413|0.051257|0.048711|0.053395|0.057202|0.078876|0.106702|0.098742|0.114010|0.112143|0.094345|0.112932|0.080491|0.077744|0.078924|0.095732|0.097098|0.107107|0.180892|0.171343|0.142615|0.092561|0.083406|0.069241|0.070342|0.086540|0.073964|0.090804|0.113883|0.211952|0.140265|0.140461|0.121797|0.300486|0.500000| 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