Version2.0 2020-02-01T04:35:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)Oc2ccc(cc2)Cl)[C@H](CC(=O)NCCCCCC[NH3+])c3c[nH]c4c3cc(cc4)Cl C35497784 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)Oc2ccc(cc2)Cl)[C@H](CC(=O)NCCCCCC[NH3+])c3c[nH]c4c3cc(cc4)Cl C01[X(C29H32Cl2N3O2)] 198 C1 612 [NH3+]CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cc(Cl)cc2)c1cccc(c1)Oc1ccc(cc1)Cl [NH3+]CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cc(Cl)cc2)c1cccc(c1)Oc1ccc(cc1)Cl [NH3+]CCCCCCNC(=O)C[C@@H](c1cccc(Oc2ccc(Cl)cc2)c1)c3c[nH]c4ccc(Cl)cc34 InChIKey=WYFOAJQBMGVZLN-VWLOTQADSA-O InChI=1S/C29H31Cl2N3O2/c30-21-8-11-23(12-9-21)36-24-7-5-6-20(16-24)25(18-29(35)33-15-4-2-1-3-14-32)27-19-34-28-13-10-22(31)17-26(27)28/h5-13,16-17,19,25,34H,1-4,14-15,18,32H2,(H,33,35)/p+1/t25-/m0/s1 InChI=1/C29H31Cl2N3O2/c30-21-8-11-23(12-9-21)36-24-7-5-6-20(16-24)25(18-29(35)33-15-4-2-1-3-14-32)27-19-34-28-13-10-22(31)17-26(27)28/h5-13,16-17,19,25,34H,1-4,14-15,18,32H2,(H,33,35)/p+1/t25-/m0/s1/fC29H32Cl2N3O2/h32-33H/q+1 c1cc(cc(c1)Oc2ccc(cc2)Cl)[C@H](CC(=O)NCCCCCC[NH3+])c3c[nH]c4c3cc(cc4)Cl C01[X(C29H32Cl2N3O2)] 198 C01 612 [NH3+]CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cc(Cl)cc2)c1cccc(c1)Oc1ccc(cc1)Cl [NH3]CCCCCCNC(=O)C[C@H](c1c[nH]c2c1cc(Cl)cc2)c1cccc(c1)Oc1ccc(cc1)Cl [NH3]CCCCCCNC(=O)C[C@@H](c1cccc(Oc2ccc(Cl)cc2)c1)c3c[nH]c4ccc(Cl)cc34 InChIKey=CPHWGONEFDFLGX-VWLOTQADSA-N InChI=1S/C29H32Cl2N3O2/c30-21-8-11-23(12-9-21)36-24-7-5-6-20(16-24)25(18-29(35)33-15-4-2-1-3-14-32)27-19-34-28-13-10-22(31)17-26(27)28/h5-13,16-17,19,25,34H,1-4,14-15,18H2,32H3,(H,33,35)/t25-/m0/s1 InChI=1/C29H32Cl2N3O2/c30-21-8-11-23(12-9-21)36-24-7-5-6-20(16-24)25(18-29(35)33-15-4-2-1-3-14-32)27-19-34-28-13-10-22(31)17-26(27)28/h5-13,16-17,19,25,34H,1-4,14-15,18H2,32H3,(H,33,35)/t25-/m0/s1/f/h33H 4182.3178637949 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 4.5093 5.7289 15.3610 19.5224 24.3854 30.9281 36.7526 52.0072 59.5401 63.7467 78.2944 79.4996 102.2951 113.5509 119.1354 120.4646 128.6723 141.1926 155.2230 168.4394 182.2748 209.3532 220.3426 229.4340 234.7048 257.9080 280.4730 286.3709 295.8186 296.0325 302.2048 318.2235 323.5009 345.6059 379.7927 392.5913 405.4518 433.2881 454.0185 458.6801 468.1633 473.1736 477.1394 488.0224 489.6584 500.9776 512.1508 546.9596 557.2296 566.1977 628.4684 640.6988 645.6090 651.4226 663.3347 696.3806 697.3614 716.3286 726.0181 740.4160 769.6051 782.6519 787.9793 801.2086 812.1239 814.2861 833.4019 849.9809 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6 6 6 17 6 1 6 6 8 7 6 6 6 6 6 6 7 1 1 1 6 6 7 1 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 16682.0899 27434.5374 36587.9689 0.99958 -0.02801 -0.00798 0.02794 0.99958 -0.00802 0.00820 0.00780 0.99994 1 0.00519 0.00316 0.00237 0.10818 0.06578 0.04933 6.49 8.24 22.10 28.09 35.09 44.50 52.88 74.83 85.66 91.72 112.65 114.38 147.18 163.37 171.41 173.32 185.13 203.14 223.33 242.35 262.25 301.21 317.02 330.10 337.69 371.07 403.54 412.02 425.62 425.92 434.81 457.85 465.45 497.25 546.44 564.85 583.35 623.40 653.23 659.94 673.58 680.79 686.50 702.16 704.51 720.80 736.87 786.95 801.73 814.63 904.23 921.82 928.89 937.25 954.39 1001.94 1003.35 1030.64 1044.58 1065.29 1107.29 1126.06 1133.73 1152.76 1168.47 1171.58 1199.08 1222.93 1245.90 1282.24 1292.88 1306.13 1310.67 1346.59 1348.40 1363.66 1385.16 1392.60 1403.97 1420.34 1425.30 1449.25 1461.08 1466.11 1484.28 1510.78 1511.72 1530.83 1534.57 1557.48 1561.18 1579.61 1585.36 1596.13 1601.23 1615.48 1622.26 1635.08 1665.50 1691.91 1695.79 1703.74 1714.51 1725.01 1728.96 1730.23 1767.68 1791.20 1799.60 1815.59 1827.03 1839.77 1852.48 1871.11 1885.97 1909.63 1945.14 1954.91 1960.13 1968.69 1995.23 2003.69 2037.77 2044.15 2050.45 2059.18 2068.62 2071.43 2088.00 2108.41 2112.72 2117.60 2130.70 2150.86 2170.83 2195.03 2227.42 2238.46 2241.50 2251.41 2274.78 2279.97 2316.70 2326.68 2336.34 2338.06 2348.78 2349.56 2352.08 2357.04 2365.51 2382.07 2399.88 2406.98 2437.61 2468.98 2481.14 2536.56 2558.04 2572.98 2591.19 2605.17 2607.55 2630.79 2645.04 2779.66 4591.09 4599.83 4612.94 4620.12 4641.38 4641.48 4653.28 4672.48 4699.88 4703.25 4722.04 4722.80 4746.19 4756.26 4814.28 4842.68 4855.92 4868.77 4876.87 4878.54 4884.99 4886.49 4896.10 4898.30 4901.73 4903.66 4958.88 5135.44 5314.30 5386.85 5601.59 5626.13 0.606982 0.639346 0.640290 0.535173 -2348.066817 -2348.034454 -2348.033509 -2348.138626 3.525641D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE c1cc(cc(c1)Oc2ccc(cc2)Cl)[C@H](CC(=O)NCCCCCC[NH3+])c3c[nH]c4c3cc(cc4)Cl C35497784 RHF 6-31G(d) (6D,10F) C1 524.187158 |X|Y|Z| 113.403193 83.611166 47.080837 76.426607 23 6 7 8 21 1 1 |36.858105| |13.691270|36.858105| |7.924564|13.760296|36.858105| |6.902052|7.947522|13.654985|36.858105| |7.989154|6.884266|7.909994|13.790663|36.858105| |13.841084|7.909994|6.824257|7.915980|13.701844|36.858105| |5.303385|4.617753|5.177069|7.869440|14.002853|8.188429|73.516695| |4.005053|3.796519|4.498091|6.703594|8.015795|5.285758|24.764244|36.858105| |3.481692|3.383144|3.995781|5.518312|5.942130|4.328409|14.225580|13.771095|36.858105| |2.817770|2.807864|3.303162|4.246801|4.265049|3.323709|9.297751|7.958360|13.761059|36.858105| |2.593429|2.601009|3.055687|3.858484|3.820881|3.020910|8.224519|6.924989|7.969272|13.769606|36.858105| |2.784879|2.770200|3.255314|4.189601|4.223728|3.291174|9.306858|7.958465|6.864245|7.914715|13.776214|36.858105| |3.421061|3.318865|3.913497|5.397438|5.834314|4.258323|14.262350|13.779478|7.927171|6.865002|7.970245|13.756333|36.858105| |2.108647|2.136995|2.461138|2.921971|2.844541|2.370947|5.778232|4.238748|4.768727|7.035636|10.927205|7.037410|4.768970|448.794386| |4.975192|7.442040|12.464670|7.603461|5.029053|4.411088|6.875067|3.682723|3.439267|3.033801|2.866930|2.995968|3.385707|19.276841|36.858105| |4.249043|5.689559|9.013169|7.376542|4.832981|4.026854|6.929930|3.907781|3.795746|3.405824|3.179696|3.235606|3.565876|21.342638|17.617105|0.500000| |4.384414|6.389723|7.449332|5.047642|3.876382|3.694890|5.513779|2.930093|2.830315|2.540151|2.380669|2.434514|2.687246|16.532323|12.374937|0.251075|36.858105| |3.260881|4.246262|4.913515|3.885002|3.092718|2.900635|4.650459|2.565713|2.543453|2.368564|2.241536|2.252692|2.402327|16.049809|7.509292|0.203774|12.535058|36.858105| |2.975395|3.725646|4.479568|3.811057|3.021636|2.751953|4.655200|2.642514|2.683782|2.548542|2.401801|2.367567|2.475702|17.363531|6.562677|0.213464|8.010558|15.808081|73.516695| |2.843434|3.574854|3.853897|3.127895|2.606071|2.512524|3.987891|2.189487|2.159567|2.030317|1.943782|1.962517|2.079065|14.159272|5.233082|0.136371|7.823061|14.113833|15.087596|53.358707| |2.345584|2.819211|3.021346|2.584629|2.207815|2.123808|3.470942|1.932926|1.931807|1.850937|1.780843|1.779278|1.851221|13.256515|3.855093|0.106068|4.991630|7.689753|11.967799|17.819452|36.858105| |2.113064|2.498273|2.709679|2.380256|2.042291|1.945982|3.258518|1.837494|1.826414|1.776042|1.739309|1.746485|1.794698|13.135517|3.430782|0.095417|4.022539|5.637411|9.624918|10.321922|12.434760|36.858105| |2.110499|2.486960|2.794078|2.516412|2.130239|1.983068|3.431562|1.972855|1.972790|1.946708|1.921662|1.918799|1.944190|14.637738|3.599450|0.104906|3.928579|5.499652|10.738884|8.182961|7.483569|12.473821|36.858105| |1.885769|2.176222|2.426474|2.240042|1.928198|1.794261|3.156721|1.829125|1.818146|1.817500|1.827551|1.836069|1.837047|14.171551|3.007466|0.086955|3.117872|3.933141|7.478617|5.712929|4.848077|7.406350|12.456731|36.858105| |1.835474|2.093998|2.374762|2.258504|1.944228|1.779840|3.231697|1.909005|1.912258|1.948472|1.982378|1.975745|1.938336|15.653205|2.901374|0.086549|2.869028|3.493548|6.966047|4.718925|3.778366|4.889497|7.623552|12.424439|36.858105| |1.672581|1.877664|2.104206|2.029982|1.778226|1.634241|2.992635|1.772248|1.761283|1.807741|1.870088|1.880617|1.828672|14.996705|2.490041|0.073034|2.419887|2.804056|5.398980|3.811735|2.981270|3.728068|4.929958|7.473604|12.531430|36.858105| |1.616334|1.792749|2.021836|1.997980|1.762255|1.603435|3.012512|1.812482|1.814261|1.897444|1.989370|1.984251|1.889868|16.349173|2.345089|0.069846|2.226542|2.518061|4.919712|3.324577|2.544450|3.001006|3.844253|4.929302|7.699755|12.575540|53.358707| |1.560107|1.724303|1.940119|1.923401|1.703247|1.550743|2.922624|1.762668|1.785486|1.878682|1.955122|1.922733|1.823380|16.230933|2.237910|0.067198|2.144932|2.440096|4.828819|3.214952|2.492851|2.903435|3.708722|4.583426|7.044955|9.058519|25.669207|0.500000| |1.726254|1.918696|2.193564|2.189312|1.915604|1.723250|3.281731|1.993842|1.992326|2.096349|2.218779|2.217332|2.095490|18.240720|2.553282|0.076919|2.369797|2.656357|5.236640|3.429800|2.566105|2.967543|3.831586|4.648700|7.136319|9.074912|25.504925|0.324529|0.500000| |1.521824|1.673304|1.870450|1.857055|1.656347|1.514006|2.849130|1.712116|1.705692|1.786572|1.887354|1.893660|1.798239|15.634594|2.135004|0.062905|2.023548|2.248431|4.322153|2.987623|2.273335|2.653719|3.259499|4.103108|5.649252|9.000125|25.672962|0.324770|0.323005|0.500000| |4.144578|5.593890|7.579442|5.839275|4.245561|3.772892|6.130986|3.354110|3.041239|2.770831|2.743338|2.958944|3.296128|18.811465|12.531013|0.250108|7.505171|6.029164|9.493308|6.573274|3.685582|3.530603|3.766757|3.286067|3.159459|2.763483|3.496116|0.066474|0.078296|0.065212|36.858105| |4.083536|5.318224|6.059100|4.770249|3.823173|3.610607|5.583591|2.973924|2.651333|2.415488|2.418580|2.650395|2.972224|16.775757|7.413910|0.155887|5.862581|4.762200|7.274215|5.822137|3.335524|3.247054|3.309592|2.993260|2.814894|2.546321|3.191974|0.060326|0.070379|0.060608|14.085774|36.858105| |3.248000|3.899367|4.370875|3.828249|3.208739|3.005220|4.937527|2.704095|2.415304|2.258682|2.321131|2.568741|2.806603|16.458560|5.125911|0.121975|4.281990|3.878664|6.228816|4.957576|3.024493|3.111470|3.238845|3.093419|2.939090|2.748267|3.430322|0.063606|0.075833|0.065812|8.492474|13.900828|53.358707| |3.004822|3.482779|3.723075|3.324890|2.903457|2.783494|4.539750|2.469486|2.202389|2.065803|2.132491|2.368066|2.580483|15.262018|4.128683|0.099874|3.617091|3.303598|5.321318|4.356142|2.724391|2.820336|2.880372|2.811111|2.660117|2.548054|3.184719|0.059056|0.069593|0.061981|5.971342|9.055247|26.099625|0.500000| |2.935968|3.480664|4.118944|3.802704|3.122905|2.813147|4.929517|2.805865|2.537554|2.428016|2.536176|2.797590|2.969065|18.187100|5.043815|0.130196|4.070715|3.920014|6.655058|4.873507|3.060731|3.244878|3.591911|3.513873|3.478543|3.256498|4.098453|0.074655|0.093061|0.077783|8.299688|8.568995|19.036526|0.251627|36.858105| |3.257676|4.009792|5.164685|4.707996|3.601848|3.130492|5.564178|3.207322|2.940446|2.794410|2.864654|3.101197|3.305068|20.143241|7.152840|0.193517|5.164027|4.969426|8.691432|5.677193|3.451828|3.541744|4.054008|3.724162|3.748770|3.308237|4.213555|0.078276|0.097121|0.077904|13.165207|8.546856|11.619164|0.165775|13.557367|36.858105| |2.841281|3.370805|4.323833|4.257629|3.314829|2.819028|5.342727|3.229377|3.067474|3.034520|3.154307|3.321125|3.365107|22.725533|5.686861|0.180263|4.360757|4.541257|8.823893|5.138249|3.309452|3.465040|4.259076|3.994757|4.381832|3.796030|5.031667|0.093339|0.121527|0.090669|7.275042|5.270291|7.308080|0.118805|7.878826|13.605334|36.858105| |2.407362|2.754276|3.348157|3.376105|2.789897|2.415309|4.659083|2.848594|2.713227|2.767065|2.977085|3.150205|3.071665|22.476059|4.056229|0.123021|3.349735|3.530416|6.790038|4.252948|2.874801|3.131491|3.880273|3.990118|4.679137|4.393590|6.096511|0.108144|0.156118|0.110616|5.031794|4.207716|6.383988|0.110241|7.006396|8.031971|13.881698|36.858105| |2.267003|2.560725|3.001504|2.987602|2.547327|2.259309|4.265912|2.555387|2.386651|2.409513|2.612447|2.832241|2.795220|19.844190|3.514123|0.100550|2.981844|3.080360|5.660826|3.871411|2.630147|2.910720|3.453776|3.713667|4.155283|4.243686|5.724951|0.098689|0.139552|0.109616|4.530022|4.191276|7.037875|0.126556|8.036406|6.827408|7.809599|13.609366|36.858105| |2.450489|2.794653|3.225479|3.114156|2.657911|2.399266|4.357732|2.534758|2.318661|2.278854|2.435175|2.683660|2.749195|18.032639|3.767586|0.102192|3.190881|3.195283|5.614347|4.077845|2.697495|2.955423|3.343513|3.499954|3.614001|3.605981|4.614334|0.081633|0.106021|0.089329|5.244132|5.307686|10.382301|0.185598|13.675556|7.766969|6.723828|7.943798|13.866870|36.858105| |2.076159|2.314262|2.756603|2.860310|2.442728|2.117170|4.217866|2.648205|2.623335|2.803796|3.062505|3.094626|2.857126|24.754554|3.200610|0.099811|2.760501|2.965474|5.914687|3.610049|2.544696|2.769154|3.476226|3.670439|4.736112|4.626691|7.515809|0.136622|0.216794|0.133781|3.575538|3.062114|4.448386|0.080668|4.245561|4.754022|7.019213|10.769499|7.007136|4.756700|448.794386| |17.717289|8.910409|5.644430|4.967070|5.670586|8.975571|7.614861|3.345455|2.972321|2.463586|2.283233|2.436838|2.926252|15.217979|4.057663|0.097524|3.826449|2.934229|4.727637|3.595336|2.205967|1.985298|1.954683|1.755683|1.696618|1.555072|2.038901|0.040222|0.044120|0.039346|3.517041|3.589483|3.986574|0.077006|2.619895|2.831245|2.484420|2.146732|2.049060|2.221203|15.007407|0.500000| |8.942043|17.729587|8.877468|5.634742|4.959211|5.652436|6.514378|3.134283|2.865090|2.451209|2.291367|2.418341|2.813737|15.504876|6.820923|0.142278|7.089310|4.548535|6.742615|5.403346|3.054721|2.656175|2.569981|2.227985|2.100095|1.876333|2.405887|0.047206|0.052096|0.045817|5.362500|5.388555|5.310240|0.097897|3.389484|3.818300|3.175804|2.620427|2.465740|2.718945|17.652473|0.216591|0.500000| |4.969944|5.655453|8.905104|17.754038|8.935210|5.639105|12.603106|7.461967|6.347537|5.043057|4.624193|4.982261|6.231781|27.294229|7.126617|0.224154|4.679283|3.867522|7.077175|4.194741|2.593523|2.428862|2.640030|2.364233|2.437504|2.184790|2.966486|0.058289|0.067231|0.055974|5.823665|4.512285|5.169766|0.090609|4.005030|5.169821|5.009904|3.887935|3.308568|3.335680|26.620178|0.107812|0.123922|0.500000| |8.877191|5.618017|4.928998|5.651583|8.942157|17.744659|13.464244|4.907704|4.059501|3.149938|2.872806|3.126938|4.011181|18.261979|3.533265|0.091609|3.070905|2.498951|4.249567|3.005675|1.901908|1.754609|1.784028|1.630651|1.622209|1.503073|2.017123|0.039912|0.044077|0.039091|3.130973|3.052739|3.577929|0.068892|2.471833|2.690219|2.463350|2.161266|2.042611|2.157435|15.474870|0.214162|0.124025|0.124419|0.500000| |3.635680|3.491749|4.024899|5.356420|5.891438|4.498527|12.989662|8.945630|17.736177|8.895040|5.653155|4.949092|5.650748|31.537440|3.416573|0.104314|2.893685|2.583001|4.832112|2.979408|1.956075|1.822924|1.948761|1.776376|1.849566|1.690577|2.350520|0.047450|0.052230|0.044999|2.920064|2.551211|3.118063|0.058133|2.373490|2.754648|2.839332|2.490746|2.198027|2.152297|19.297809|0.086606|0.082243|0.159649|0.117810|0.500000| |2.554057|2.560641|2.967793|3.646161|3.617100|2.938575|7.501363|5.653398|8.909179|17.750177|8.924175|5.641239|4.950459|53.784671|2.787858|0.087474|2.402884|2.281936|4.413713|2.675121|1.813936|1.736727|1.905180|1.775891|1.909994|1.766523|2.533828|0.051738|0.056808|0.048613|2.525815|2.205203|2.811116|0.052628|2.219311|2.549398|2.794198|2.567277|2.230761|2.096591|21.411570|0.062898|0.063107|0.117236|0.077857|0.213780|0.500000| |2.511064|2.510562|2.906932|3.582478|3.572692|2.899028|7.509918|5.653510|4.950046|5.641127|8.926971|17.749823|8.906469|53.803900|2.736355|0.081099|2.250090|2.106641|3.921809|2.531622|1.699148|1.688626|1.859538|1.806852|1.956105|1.892176|2.741473|0.053904|0.062685|0.053901|2.791019|2.546097|3.448820|0.065566|2.784624|2.998215|3.221655|3.179373|2.926535|2.747719|25.353931|0.061885|0.061834|0.115491|0.077064|0.107502|0.124235|0.500000| |3.517336|3.370458|3.880363|5.166330|5.711572|4.363879|13.046824|8.953727|5.651828|4.949578|5.652928|8.889920|17.737093|31.533924|3.325559|0.094049|2.639506|2.338094|4.209587|2.786393|1.815203|1.768231|1.900724|1.807807|1.891742|1.799831|2.513467|0.049109|0.056687|0.049091|3.354844|3.127246|4.068324|0.077242|3.108254|3.348991|3.291778|3.036814|2.852480|2.875376|22.032259|0.084069|0.079536|0.155503|0.115188|0.124556|0.107511|0.213600|0.500000| |4.430411|6.466817|6.490633|4.438098|3.591562|3.583164|5.125022|2.676936|2.542066|2.283572|2.165958|2.243782|2.488210|15.140378|8.742400|0.175266|17.579260|8.821528|10.427189|10.299377|4.800539|3.914594|3.641020|2.965360|2.672422|2.298776|2.851913|0.055746|0.061403|0.053413|6.946959|6.397907|6.161306|0.108368|4.025276|4.739167|3.848886|3.073479|2.844560|3.138141|20.199499|0.111263|0.228439|0.111469|0.083602|0.071894|0.059861|0.058241|0.069179|0.500000| |4.626491|6.575993|7.115452|4.995138|3.969834|3.861687|5.629362|2.953127|2.911593|2.578179|2.361737|2.379552|2.635103|16.332432|8.834803|0.210913|17.545771|9.093494|12.364983|8.645625|4.475128|3.532450|3.431221|2.756427|2.572280|2.186959|2.776543|0.055220|0.060054|0.051719|5.504230|4.551273|4.759990|0.084664|3.351538|4.122904|3.682664|2.919126|2.599328|2.731477|20.105641|0.112854|0.201216|0.125651|0.089281|0.084988|0.068432|0.060462|0.071046|0.302789|0.500000| |2.948081|3.721897|3.829775|3.051629|2.583600|2.547962|3.924903|2.122076|2.068787|1.928268|1.849673|1.884759|2.015822|13.416345|4.970234|0.122624|7.534032|9.449487|10.893043|26.099347|9.052259|6.165879|4.810998|3.656625|3.041386|2.545342|3.035600|0.059619|0.063746|0.056419|4.689830|4.442373|5.064379|0.092365|3.489264|3.908668|3.413751|2.869531|2.684167|2.897911|19.421724|0.077241|0.119588|0.081619|0.062299|0.058324|0.051604|0.049731|0.055688|0.242699|0.171290|0.500000| |2.227141|2.638881|2.741257|2.350208|2.047740|2.002956|3.228928|1.782971|1.778642|1.699052|1.633151|1.634485|1.705369|12.180830|3.351361|0.090467|4.329124|5.840775|8.955182|12.636759|17.584374|8.864714|5.502723|4.044949|3.203239|2.632554|3.082443|0.061781|0.062933|0.057030|3.207220|3.011327|3.732935|0.070052|2.711572|2.970530|2.816362|2.494183|2.329947|2.412908|17.893395|0.059109|0.080572|0.064669|0.050241|0.050256|0.046331|0.043442|0.046651|0.121518|0.111762|0.233724|0.500000| |2.287632|2.721755|2.948962|2.568768|2.196939|2.096575|3.479643|1.953163|1.982680|1.910392|1.821955|1.796512|1.856750|13.623257|3.714319|0.106328|4.712365|7.288298|13.165046|12.542602|17.607811|8.825174|7.015999|4.551088|3.750742|2.917781|3.461740|0.070454|0.071353|0.062730|3.417832|3.018429|3.723866|0.068408|2.817525|3.238696|3.222267|2.797925|2.507202|2.513456|20.507551|0.059534|0.080491|0.072300|0.052282|0.056129|0.052516|0.047416|0.050052|0.119495|0.123499|0.184168|0.303126|0.500000| |2.137101|2.530412|2.713689|2.365019|2.036779|1.954795|3.238242|1.813824|1.779444|1.722181|1.698878|1.726390|1.784416|12.779916|3.416813|0.092136|3.958229|5.180248|8.333687|9.615329|8.863365|17.515625|8.810815|6.822152|4.514519|3.648441|3.957940|0.076545|0.079996|0.072541|3.674474|3.518001|4.675691|0.087312|3.505463|3.675887|3.452545|3.151529|3.030611|3.176699|21.697267|0.056018|0.075427|0.066471|0.048969|0.049095|0.046420|0.046609|0.049335|0.111785|0.094515|0.177754|0.208951|0.173827|0.500000| |1.898819|2.203435|2.357988|2.104485|1.836147|1.759448|2.961561|1.672669|1.671555|1.635206|1.602260|1.601270|1.635685|12.228242|2.881891|0.080565|3.325298|4.388595|7.687189|7.615263|8.916382|17.508657|8.848236|6.699843|4.520044|3.564198|3.906779|0.078301|0.077151|0.071151|2.938268|2.748177|3.630084|0.068456|2.770191|2.963817|2.944241|2.737403|2.575239|2.589406|20.091589|0.049997|0.064887|0.059601|0.044498|0.046453|0.044704|0.043148|0.044730|0.090578|0.083934|0.135186|0.223412|0.208010|0.303061|0.500000| |2.034520|2.374266|2.671351|2.442276|2.078471|1.927691|3.375094|1.953833|1.985400|1.974319|1.932592|1.900621|1.910970|14.840754|3.376857|0.101288|3.686053|5.149323|10.917138|7.267803|6.860599|8.899345|17.523787|8.861462|7.110422|4.578253|5.127259|0.105291|0.103925|0.088063|3.375861|2.930896|3.851797|0.070326|3.129694|3.589461|3.904507|3.563842|3.101635|2.938791|27.165377|0.052342|0.067590|0.071639|0.048355|0.054809|0.054294|0.050915|0.051361|0.092762|0.092779|0.118309|0.143440|0.211039|0.173653|0.214563|0.500000| |2.357791|2.830187|3.271880|2.916923|2.409351|2.213948|3.839575|2.211995|2.198103|2.156280|2.129278|2.138171|2.179449|15.990059|4.433017|0.131087|4.712446|6.827531|13.763217|9.144994|6.950999|8.879374|17.621268|8.928608|7.034565|4.707754|5.219442|0.100895|0.111011|0.090219|4.727447|3.950635|5.182895|0.091114|4.341964|5.203440|5.499432|4.692266|4.009147|3.888378|31.792499|0.059842|0.080579|0.085839|0.054698|0.059996|0.058088|0.057282|0.059133|0.117616|0.109864|0.145440|0.140358|0.179920|0.208771|0.173983|0.305861|0.500000| |1.919306|2.218305|2.459169|2.256197|1.945099|1.818231|3.173020|1.827585|1.792310|1.780934|1.803657|1.836982|1.849730|13.898618|3.042190|0.085820|3.119279|3.804796|6.907768|5.600442|4.502140|6.708468|8.849196|17.512677|8.823596|7.049901|6.311927|0.114454|0.123339|0.111521|3.464539|3.251040|4.725193|0.088229|3.947160|3.981486|4.092257|4.159077|4.091486|3.987897|28.997026|0.049729|0.063354|0.065702|0.045877|0.048419|0.047917|0.050502|0.051099|0.084346|0.075428|0.102988|0.107072|0.112155|0.201446|0.163337|0.173763|0.215217|0.500000| |1.723979|1.966944|2.156883|1.999161|1.746764|1.640404|2.876554|1.661586|1.658303|1.660522|1.665783|1.666987|1.665010|13.016954|2.607159|0.074861|2.741583|3.397370|6.375189|5.055724|4.475530|6.777938|8.766730|17.524761|8.811177|6.611106|6.096460|0.119778|0.112545|0.106950|2.794243|2.597296|3.639968|0.068844|2.955729|3.078722|3.255457|3.277392|3.116769|2.966721|25.052587|0.044982|0.056184|0.058155|0.041724|0.045221|0.045340|0.045642|0.045532|0.073306|0.068717|0.091775|0.108766|0.118129|0.171804|0.199643|0.207956|0.173691|0.302774|0.500000| |1.751628|1.984076|2.241150|2.147850|1.862124|1.705610|3.115054|1.847007|1.876323|1.925813|1.944075|1.908780|1.860903|15.516186|2.700488|0.081568|2.700648|3.301127|6.744869|4.432218|3.638341|4.528332|6.778980|8.841373|17.518790|8.880288|9.569003|0.210186|0.176244|0.144969|2.836401|2.516314|3.502339|0.065061|2.979580|3.261540|3.821269|3.979261|3.480655|3.049687|34.488678|0.045077|0.055164|0.064448|0.043359|0.050715|0.053064|0.052254|0.050020|0.069284|0.068699|0.078944|0.086360|0.104563|0.111307|0.121316|0.207173|0.166528|0.173665|0.216878|0.500000| |2.006171|2.307451|2.676645|2.559967|2.166510|1.954919|3.590339|2.138608|2.138338|2.182077|2.227970|2.224345|2.178459|17.443613|3.336020|0.101708|3.193813|3.877455|7.939040|4.995228|3.804269|4.662027|7.305907|8.889641|17.567342|8.940404|9.763742|0.177699|0.218683|0.147409|3.677223|3.165990|4.487032|0.081028|4.057415|4.569875|5.753322|6.159227|5.006003|4.177157|49.060551|0.050959|0.063603|0.078024|0.049127|0.057037|0.059023|0.060979|0.058809|0.081092|0.078580|0.088605|0.088103|0.105300|0.120572|0.114073|0.188054|0.223382|0.206527|0.174143|0.302845|0.500000| |1.715806|1.928238|2.156824|2.074057|1.816831|1.672953|3.048820|1.797654|1.763624|1.798743|1.873887|1.912152|1.870266|14.898800|2.550039|0.073642|2.451385|2.789450|5.243615|3.806728|2.905266|3.623215|4.600186|6.750773|8.778200|17.635864|12.415575|0.179805|0.219853|0.221084|2.917670|2.738596|4.147599|0.078988|3.663972|3.563504|3.988063|4.776133|4.976656|4.234685|37.358421|0.044320|0.053578|0.061768|0.042701|0.046807|0.048371|0.053774|0.051648|0.065469|0.060886|0.071640|0.071699|0.077239|0.102710|0.094449|0.113295|0.126681|0.208355|0.160931|0.173093|0.212112|0.500000| |1.544257|1.721911|1.903112|1.832239|1.623006|1.505495|2.738228|1.612839|1.607148|1.647341|1.696576|1.701190|1.657201|13.665634|2.222015|0.064613|2.195982|2.536300|4.828392|3.515793|2.808191|3.524424|4.414761|6.624763|8.717568|17.629462|12.357221|0.219178|0.179333|0.219099|2.431315|2.275394|3.319693|0.063732|2.802598|2.819926|3.137616|3.520607|3.468792|3.064089|29.702897|0.040178|0.048063|0.054255|0.038678|0.043090|0.044945|0.047543|0.045368|0.058479|0.055703|0.065809|0.070240|0.076446|0.095801|0.097459|0.116193|0.112068|0.171945|0.189497|0.210834|0.173223|0.300249|0.500000| |4.536904|5.955995|5.950931|4.525027|3.805413|3.802885|5.477215|2.827831|2.515436|2.263145|2.241885|2.450182|2.780501|15.531152|6.426463|0.133672|5.651067|4.372632|6.523464|5.531270|3.161106|3.001452|2.952021|2.663175|2.478480|2.257707|2.835392|0.054069|0.061773|0.054235|8.691497|17.795065|12.242820|0.213683|5.904541|5.802714|4.095130|3.403966|3.414044|4.191080|20.998027|0.113510|0.178949|0.113088|0.089386|0.068162|0.057609|0.065154|0.081798|0.188267|0.126594|0.122752|0.081517|0.079239|0.090568|0.071649|0.073511|0.094865|0.079776|0.065574|0.062448|0.075793|0.066929|0.056962|0.500000| |2.884755|3.426206|4.495444|4.514653|3.449581|2.885905|5.573966|3.426573|3.372486|3.362460|3.405321|3.450042|3.461946|24.396785|5.980831|0.215328|4.592939|4.896509|10.298777|5.276518|3.415600|3.467137|4.316409|3.867410|4.302337|3.589425|4.847303|0.093058|0.116340|0.086304|6.427787|4.553894|5.899847|0.098930|5.598256|8.805923|17.747782|8.930222|5.588448|4.876674|53.625985|0.069616|0.088789|0.153381|0.069817|0.087319|0.086966|0.090514|0.090949|0.107463|0.110604|0.095097|0.079936|0.095464|0.092643|0.082186|0.115265|0.154964|0.105032|0.088556|0.109082|0.157209|0.100307|0.083489|0.102929|0.500000| 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