Version2.1 2021-01-14T08:43:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1CC(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(c(c4)Cl)Cl)Cl C39609700 RHF 6-31G(d) (6D,7F) c1cc(ccc1CC(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(c(c4)Cl)Cl)Cl C01[X(C24H27Cl3N3O2)] 171 C1 546 Clc1ccc(cc1)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc(c(c1)Cl)Cl Clc1ccc(cc1)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc(c(c1)Cl)Cl Clc1ccc(CC(=O)N2C[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)C4(CC[NH2+]CC4)C2)cc1 InChIKey=ZQSHIPMZKVVJTL-LJQANCHMSA-O InChI=1S/C24H26Cl3N3O2/c25-18-4-1-16(2-5-18)12-22(31)30-14-19(24(15-30)7-9-28-10-8-24)23(32)29-13-17-3-6-20(26)21(27)11-17/h1-6,11,19,28H,7-10,12-15H2,(H,29,32)/p+1/t19-/m1/s1 InChI=1/C24H26Cl3N3O2/c25-18-4-1-16(2-5-18)12-22(31)30-14-19(24(15-30)7-9-28-10-8-24)23(32)29-13-17-3-6-20(26)21(27)11-17/h1-6,11,19,28H,7-10,12-15H2,(H,29,32)/p+1/t19-/m1/s1/fC24H27Cl3N3O2/h28-29H/q+1 c1cc(ccc1CC(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(c(c4)Cl)Cl)Cl C01[X(C24H27Cl3N3O2)] 171 C01 546 Clc1ccc(cc1)CC(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc(c(c1)Cl)Cl Cl[C]1[CH][CH][C]([CH][CH]1)CC(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NC[C]1[CH][CH][C]([C]([CH]1)Cl)Cl Cl[C]1[CH][CH][C]([CH][CH]1)CC(=O)N2C[C@H](C(=O)NC[C]3[CH][CH][C](Cl)[C](Cl)[CH]3)C4(CC[NH2]CC4)C2 InChIKey=LBKWLERXVCFPIS-LJQANCHMSA-N InChI=1S/C24H27Cl3N3O2/c25-18-4-1-16(2-5-18)12-22(31)30-14-19(24(15-30)7-9-28-10-8-24)23(32)29-13-17-3-6-20(26)21(27)11-17/h1-6,11,19H,7-10,12-15,28H2,(H,29,32)/t19-/m1/s1 InChI=1/C24H27Cl3N3O2/c25-18-4-1-16(2-5-18)12-22(31)30-14-19(24(15-30)7-9-28-10-8-24)23(32)29-13-17-3-6-20(26)21(27)11-17/h1-6,11,19H,7-10,12-15,28H2,(H,29,32)/t19-/m1/s1/f/h29H 3557.7190155740 -2615.9143256 1-A 25645.1701 129 417 546 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0.3933 0.8331 0.3782 0.4617 0.5900 0.6350 0.1064 0.2220 0.4316 0.8201 0.3917 0.4384 0.0481 0.4090 0.8079 0.8557 0.2069 0.7107 0.2645 0.8116 0.8570 0.6458 0.1490 0.8523 0.3073 0.8009 0.8173 0.3834 0.8469 0.7218 0.7187 0.6774 0.6490 0.7901 0.8455 0.8113 0.3684 0.2020 0.7144 0.6251 0.3008 0.2645 0.7565 0.3794 0.1785 0.8018 0.8031 0.8351 0.2059 0.6702 0.7779 0.8415 0.5980 0.5228 0.1651 0.3481 0.2251 0.8501 0.8487 0.8571 0.7152 0.8526 0.8213 0.7661 0.5116 0.7810 0.7387 0.8487 0.7971 0.7605 0.8342 0.3771 0.8551 0.8010 0.8104 0.5940 0.8487 0.8185 0.4916 0.8243 0.7339 0.6988 0.8510 0.8538 0.8571 0.7391 0.8331 0.8487 0.8528 0.7259 0.8551 0.8501 0.5352 0.7240 0.8571 0.7245 0.6895 0.8486 0.5182 0.5693 0.4225 0.2287 0.4019 0.1311 0.4083 0.1578 0.1156 0.7738 0.5469 0.2606 0.1269 0.8115 0.2837 0.8198 0.6207 0.7920 0.8100 0.5648 0.5879 0.7569 0.4241 0.4262 0.2950 0.3728 0.1951 0.7206 0.2434 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 6 6 6 6 6 17 17 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 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 19555.3336 30935.9997 46850.5151 0.99999 -0.00129 -0.00289 0.00126 0.99996 -0.00908 0.00290 0.00908 0.99995 1 0.00443 0.00280 0.00185 0.09229 0.05834 0.03852 6.21 10.59 19.27 22.59 35.81 57.52 67.96 69.05 94.58 111.99 122.75 181.08 198.85 229.57 236.60 247.19 276.68 289.06 293.26 317.77 342.38 357.87 384.54 386.84 415.18 444.73 488.00 510.74 526.32 548.61 563.61 565.99 615.99 640.60 659.93 683.59 698.15 709.79 713.60 729.56 749.04 768.87 797.88 805.47 842.03 898.07 933.47 979.97 996.07 1008.90 1041.57 1059.05 1084.53 1110.80 1148.76 1150.42 1189.36 1243.27 1259.43 1261.89 1293.68 1311.25 1353.33 1355.02 1357.45 1369.37 1386.03 1396.66 1432.79 1464.40 1494.92 1501.60 1524.41 1543.06 1559.39 1570.60 1579.61 1581.54 1601.20 1601.73 1603.74 1619.35 1630.81 1638.43 1641.86 1677.55 1690.22 1717.01 1742.02 1744.35 1782.22 1802.38 1813.46 1818.90 1846.07 1848.52 1882.54 1900.11 1901.77 1912.09 1919.16 1939.42 1949.59 1956.07 1972.77 1978.82 2022.66 2035.10 2067.75 2083.70 2091.12 2095.41 2101.22 2112.29 2155.61 2176.38 2191.94 2205.13 2227.78 2231.04 2245.13 2246.71 2249.55 2259.33 2277.62 2277.83 2323.14 2359.19 2368.63 2372.27 2373.51 2390.37 2391.42 2412.26 2415.73 2431.02 2465.77 2532.98 2551.88 2594.35 2605.11 2626.73 2750.85 2807.73 4599.69 4602.48 4614.29 4628.20 4669.20 4669.65 4686.48 4694.08 4704.65 4713.11 4722.29 4744.04 4759.10 4770.14 4774.01 4799.40 4810.62 4830.81 4856.77 4870.97 4876.12 4896.65 4902.08 4904.95 5265.36 5363.19 5575.58 0.520688 0.548732 0.549676 0.453506 -2615.393638 -2615.365594 -2615.364649 -2615.460820 3.225591D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE c1cc(ccc1CC(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4ccc(c(c4)Cl)Cl)Cl C39609700 RHF 6-31G(d) (6D,10F) C1 494.116885 |X|Y|Z| 122.549777 97.286575 34.084163 74.069491 27 6 7 24 3 |36.858105| |13.739159|36.858105| |7.986937|13.805570|36.858105| |6.893077|7.924469|13.753142|36.858105| |7.979133|6.877823|7.974895|13.790842|36.858105| |13.746433|7.888464|6.863922|7.901138|13.701225|36.858105| |7.580551|5.016859|4.443356|5.011106|7.533170|12.598807|36.858105| |5.361623|4.014801|3.726386|4.247610|5.937684|7.483666|12.507558|36.858105| |4.876844|3.920287|3.831048|4.524864|6.194408|6.663780|7.942161|15.905939|73.516695| |4.141970|3.238317|2.978172|3.263671|4.188308|5.070647|7.738862|13.939067|15.236291|53.358707| |3.756030|2.955814|2.668832|2.843972|3.530968|4.325752|6.461686|7.525670|9.420421|17.845835|36.858105| |2.909096|2.409456|2.222289|2.359123|2.819558|3.253015|4.317922|5.178583|7.508024|11.087404|12.366940|36.858105| |2.691719|2.260693|2.124548|2.288695|2.736360|3.063752|4.020005|4.772032|7.142209|9.416764|8.915964|17.498242|0.500000| |2.833657|2.383504|2.217229|2.354746|2.783460|3.152002|3.989835|5.237815|8.209411|11.041067|7.823981|12.298786|0.248251|36.858105| |3.276075|2.716336|2.563786|2.802548|3.425502|3.841837|5.000820|7.835980|12.613141|17.872273|7.874937|8.059847|0.200265|12.383375|36.858105| |2.871107|2.430045|2.215595|2.288251|2.644206|3.046945|3.687693|4.594705|7.338175|8.522022|6.173166|7.423662|0.152487|12.307585|7.536242|36.858105| |2.583391|2.257431|2.091191|2.153419|2.430111|2.712028|3.104622|3.856135|6.677896|6.394732|4.270139|4.843818|0.113089|7.427449|5.969199|12.503601|36.858105| |2.185990|1.941916|1.830561|1.900525|2.126616|2.314198|2.632641|3.204806|5.626554|5.256863|3.621945|4.391902|0.109196|6.480974|5.035373|7.700920|12.651734|53.358707| |2.045456|1.844230|1.750581|1.811584|2.000482|2.149507|2.389791|2.871171|5.156461|4.520271|3.079526|3.577096|0.091120|4.904408|4.193897|5.679898|9.161212|25.688160|0.500000| |2.064002|1.836434|1.722956|1.777275|1.980523|2.165008|2.466322|2.916720|5.017135|4.795411|3.479534|4.329320|0.107160|5.893247|4.354222|7.120581|9.199860|25.649463|0.327536|0.500000| |2.169637|1.920565|1.835605|1.942665|2.200031|2.358958|2.727945|3.398370|6.019609|5.679793|3.829156|4.857739|0.128955|7.446968|5.924810|6.474008|7.624142|17.230495|0.254428|0.255745|36.858105| |2.324316|2.017622|1.912960|2.034784|2.348734|2.561394|3.088001|3.856819|6.466751|6.985882|5.007996|7.472262|0.200959|12.383404|7.418848|7.526012|6.484516|10.514560|0.158032|0.198746|12.510377|36.858105| |2.548516|2.153286|1.972488|2.050778|2.382376|2.735233|3.444096|3.789652|5.701329|6.956077|7.320439|12.472531|0.251792|7.283113|5.009697|6.199408|4.255957|5.459913|0.091966|0.118179|4.152824|5.898995|36.858105| |2.281287|1.964704|1.807220|1.864816|2.128405|2.408817|2.919394|3.237088|5.060923|5.699128|5.262935|7.965874|0.179500|6.599256|4.396234|6.331791|4.553839|6.146254|0.102118|0.142075|4.476043|6.145066|15.778367|73.516695| |2.531928|2.140212|1.952012|2.018929|2.336981|2.693740|3.378855|3.475780|5.184511|5.984053|6.452048|7.842423|0.191170|5.006184|4.005580|4.490572|3.336135|4.265413|0.074719|0.091460|3.225061|4.230532|14.200031|15.119791|53.358707| |2.197404|1.900798|1.738089|1.776821|2.011691|2.284701|2.740461|2.762261|4.251811|4.495436|4.353526|4.989471|0.128713|3.756215|3.094295|3.586435|2.839253|3.715530|0.066540|0.081324|2.748754|3.410617|7.736720|12.094135|17.758387|36.858105| |2.229888|1.936313|1.757526|1.778315|1.997760|2.279972|2.690369|2.594223|3.987260|4.048843|3.844424|3.947499|0.102726|3.088030|2.694999|3.014749|2.450970|3.149871|0.057487|0.067781|2.310560|2.763165|5.183909|8.111321|10.599878|12.595175|36.858105| |2.020236|1.780654|1.635350|1.659295|1.847995|2.071501|2.400628|2.293351|3.577194|3.490746|3.185955|3.246817|0.088217|2.610938|2.344320|2.507481|2.102214|2.743620|0.050714|0.058672|2.038542|2.401377|3.978677|6.370593|7.415782|7.541567|13.750820|36.858105| |1.978627|1.762321|1.615713|1.625161|1.790347|2.000960|2.269250|2.121124|3.330314|3.141587|2.791077|2.740991|0.074291|2.270501|2.091857|2.210530|1.886225|2.443719|0.045655|0.051837|1.804544|2.081317|3.190354|5.167658|5.567380|5.014497|7.921099|13.761944|36.858105| |2.122714|1.890416|1.710103|1.697500|1.860326|2.104063|2.359277|2.165821|3.389139|3.166415|2.798230|2.661586|0.070567|2.235562|2.078736|2.225599|1.900544|2.421645|0.045368|0.051149|1.764524|2.013514|3.044885|4.938352|5.181347|4.427848|6.828191|7.928310|13.769191|36.858105| |2.372855|2.082098|1.852830|1.826811|2.014746|2.325776|2.635075|2.415420|3.733623|3.567566|3.216154|3.010152|0.077381|2.514686|2.312502|2.559313|2.147549|2.688107|0.050035|0.056865|1.932453|2.213166|3.496473|5.631245|5.985886|5.022910|7.899020|6.883611|7.955629|13.699936|36.858105| |2.442887|2.110452|1.880999|1.874158|2.096116|2.436077|2.844027|2.676704|4.088173|4.101469|3.863322|3.720329|0.093471|3.001006|2.666172|3.053103|2.482212|3.102247|0.056903|0.066251|2.227485|2.609197|4.623356|7.304275|8.500239|7.581391|13.724412|7.982129|6.911305|7.939932|13.781858|36.858105| |2.535949|2.248969|1.962954|1.890724|2.053428|2.392398|2.620878|2.361876|3.680570|3.391496|2.943194|2.674768|0.067929|2.328103|2.185804|2.441575|2.087513|2.566976|0.048257|0.053846|1.816088|2.031399|2.969978|4.874956|4.714742|3.674738|4.777750|4.234384|4.753935|6.970544|10.998249|7.104911|448.794386| |1.969475|1.792626|1.629855|1.603162|1.726650|1.926835|2.095263|1.904724|3.026568|2.714006|2.312489|2.178171|0.058262|1.885578|1.790985|1.885378|1.648427|2.103965|0.039878|0.044137|1.531481|1.714188|2.401166|3.955483|3.877915|3.158935|4.216438|4.784677|7.094943|11.020749|6.977042|4.754528|47.595002|448.794386| |4.774867|7.047039|10.948791|7.039345|4.774755|4.218992|3.160671|2.799341|5.167435|3.201976|2.148790|1.851047|0.049470|1.858550|2.100333|1.871218|1.800427|2.179133|0.043021|0.042068|1.597513|1.642473|1.675891|2.770383|2.261405|1.507293|1.528866|1.437465|1.430968|1.513677|1.622722|1.630989|13.880915|11.768161|448.794386| |17.701053|8.965336|5.679279|4.961265|5.655483|8.906287|7.022811|5.097873|7.860506|5.739005|4.011103|3.069132|0.077209|2.951309|3.300109|3.069699|2.709568|3.081585|0.058482|0.059903|2.213078|2.388554|2.738958|4.349865|3.730777|2.381510|2.439174|2.178113|2.136204|2.326366|2.657053|2.735536|23.316504|17.189115|31.675080|0.500000| |8.890865|17.749677|8.932981|5.643186|4.957039|5.623705|4.092440|3.399373|5.872826|3.901692|2.680232|2.226250|0.057766|2.204549|2.450448|2.287481|2.140507|2.510764|0.048893|0.048780|1.802721|1.882527|2.030679|3.327292|2.758523|1.826393|1.874966|1.726232|1.721883|1.864342|2.058298|2.063746|18.232712|14.345047|53.805189|0.215923|0.500000| |4.965026|5.647050|8.922707|17.750538|8.913887|5.628178|4.083955|3.653919|7.086211|3.942426|2.534937|2.156111|0.058821|2.163900|2.564082|2.087189|1.989212|2.426440|0.047514|0.046300|1.835034|1.906835|1.883553|3.066161|2.520714|1.642051|1.638620|1.541876|1.511061|1.567330|1.670188|1.710821|13.780399|11.947440|53.824767|0.107709|0.124275|0.500000| |5.661505|4.956080|5.672147|8.973929|17.736272|8.902271|6.968270|6.107677|11.893666|5.872989|3.566362|2.892676|0.079783|2.857143|3.597789|2.631264|2.422309|2.931534|0.056206|0.055507|2.275415|2.440094|2.406130|3.809788|3.195973|2.009501|1.974894|1.837221|1.766813|1.811642|1.944262|2.037637|15.609213|13.434143|31.668906|0.124124|0.107620|0.215994|0.500000| |7.358039|4.798564|4.007021|4.197478|5.603601|8.921945|17.585787|8.855040|10.576693|9.951433|7.291980|4.593975|0.114015|4.070111|4.719094|3.904069|3.177933|3.623230|0.066628|0.070315|2.699503|3.092622|3.789985|5.629672|5.177538|3.059940|3.051931|2.666044|2.521436|2.666153|3.056271|3.320236|24.634311|18.727054|23.660275|0.225754|0.114037|0.096392|0.140718|0.500000| |5.828178|4.277638|3.992166|4.648694|6.858213|8.872442|17.497456|9.040144|11.551995|9.108568|6.096620|4.213654|0.114551|3.727875|4.583907|3.309968|2.795695|3.334322|0.061830|0.064277|2.592986|2.979283|3.380541|5.035245|4.634423|2.761286|2.727935|2.479950|2.345721|2.405840|2.632341|2.823534|20.515486|17.165988|23.595940|0.149528|0.098843|0.109583|0.196907|0.304714|0.500000| |4.008833|3.112180|2.723629|2.815602|3.426698|4.349868|6.202095|6.456749|8.359066|12.280460|17.548580|8.726793|0.175098|6.462597|6.091407|6.232300|4.255840|4.745443|0.083042|0.094514|3.483203|4.328322|6.954322|9.272237|8.819154|4.535047|4.143746|3.320606|2.940643|3.036714|3.633061|4.428738|27.307088|19.957048|17.607497|0.125386|0.079615|0.068922|0.092662|0.221405|0.152670|0.500000| |3.727047|2.939406|2.679409|2.887043|3.617740|4.383939|6.697260|6.726341|8.578630|12.289298|17.581832|8.709771|0.224855|5.688931|5.973106|4.589133|3.446982|4.147230|0.073612|0.082095|3.267955|4.180696|6.227560|8.029997|8.662320|4.358840|4.009124|3.413037|3.002846|2.980274|3.355792|3.956183|24.110143|19.722879|17.287110|0.108876|0.073604|0.071696|0.102887|0.207542|0.199362|0.302245|0.500000| |2.973761|2.515768|2.432117|2.709672|3.303416|3.543303|4.507669|6.654199|11.543982|12.333069|6.350695|6.832376|0.201832|8.738838|17.520552|5.509021|4.761580|6.058262|0.106114|0.108247|5.697163|7.134245|4.468892|7.016476|5.023281|2.899881|2.530706|2.249919|2.008720|1.971236|2.152432|2.455892|16.171734|13.725101|16.161652|0.081528|0.062869|0.070167|0.099821|0.114399|0.121969|0.135498|0.151318|0.500000| |3.317303|2.794385|2.652787|2.889085|3.474118|3.833525|4.662469|7.312556|13.797759|12.472848|5.831579|5.714621|0.142826|8.594161|17.639849|7.116007|6.675493|7.221565|0.126983|0.121348|5.919958|6.192341|4.074088|6.687123|4.561884|2.701572|2.397410|2.102171|1.902835|1.908936|2.122705|2.408821|16.452868|13.395239|17.510759|0.091813|0.070081|0.073572|0.100247|0.120326|0.114665|0.140285|0.129382|0.303583|0.500000| |3.361887|2.780610|2.480389|2.534317|2.950707|3.516534|4.286757|5.308578|8.191182|9.611206|6.790413|6.666775|0.137391|8.750655|7.184333|17.577728|9.025435|7.643789|0.127241|0.144440|4.890092|5.490442|5.529570|9.343482|5.909998|3.467297|3.035290|2.514158|2.250646|2.309264|2.695691|3.184055|21.159208|15.770044|16.544298|0.102017|0.072575|0.063184|0.079910|0.129739|0.102461|0.210559|0.136461|0.142378|0.196595|0.500000| |2.615977|2.237419|2.032746|2.077859|2.370155|2.724449|3.256175|3.811713|6.055079|6.782101|5.477067|6.934114|0.143319|8.782563|5.524234|17.625513|8.933182|9.398215|0.144814|0.207873|5.611840|6.654969|7.144904|14.800425|6.796867|4.092221|3.333238|2.712218|2.358692|2.368427|2.750874|3.361336|20.799120|15.884553|13.953746|0.078632|0.059254|0.052842|0.065243|0.097902|0.082797|0.161102|0.118243|0.122990|0.141710|0.303271|0.500000| |2.722926|2.389386|2.235552|2.321100|2.622024|2.890514|3.257114|4.188876|7.623458|6.649966|4.103353|4.390845|0.106003|6.597947|6.423336|8.700077|17.635597|12.447373|0.223306|0.181119|7.030100|5.727426|3.689413|6.711735|4.074482|2.544919|2.242781|1.951551|1.770160|1.788142|2.004965|2.279154|15.788060|12.595455|15.387289|0.077919|0.062386|0.059654|0.072853|0.090064|0.080592|0.111357|0.093229|0.142295|0.230976|0.214187|0.173192|0.500000| |2.481643|2.196460|2.019146|2.044397|2.268337|2.536299|2.830819|3.367754|5.830899|5.343600|3.691944|4.034716|0.095065|5.436479|4.569897|8.788007|17.627917|12.357871|0.223813|0.222622|5.588798|4.877461|3.777907|7.322306|4.175204|2.695381|2.363495|2.026898|1.834439|1.865533|2.119070|2.430979|16.804445|13.066743|14.118178|0.073100|0.058703|0.052438|0.061981|0.081631|0.070593|0.106458|0.084775|0.104968|0.140046|0.212369|0.217998|0.301467|0.500000| |2.258103|2.006057|1.936289|2.068587|2.346230|2.482108|2.840164|3.635489|6.712513|5.885053|3.722455|4.415280|0.118933|6.643405|6.403728|5.745005|7.042570|12.435419|0.222494|0.181026|17.618924|8.713629|3.630133|6.643979|3.972640|2.483211|2.137568|1.903049|1.704702|1.676477|1.830488|2.081884|13.959726|11.797930|13.495932|0.063122|0.051943|0.054490|0.067930|0.076365|0.074580|0.093280|0.088902|0.176771|0.195124|0.129820|0.131591|0.214570|0.144543|0.500000| |1.934731|1.734067|1.668582|1.763128|1.973954|2.091289|2.383077|2.880462|5.126964|4.662805|3.229985|4.043441|0.111384|5.443400|4.536498|4.864303|5.587158|12.354517|0.223914|0.222308|17.627492|8.775353|3.652914|7.138622|3.977491|2.565632|2.159990|1.931944|1.711849|1.661926|1.800565|2.061448|13.529756|11.639431|11.802317|0.054664|0.045445|0.046655|0.056848|0.065503|0.063782|0.082349|0.079086|0.127118|0.124863|0.107606|0.126060|0.144536|0.126476|0.301055|0.500000| |2.153304|1.879907|1.773630|1.867319|2.133142|2.334538|2.789858|3.324755|5.496634|5.867441|4.557606|6.990283|0.186579|8.844071|5.477730|6.691115|5.649129|9.459948|0.145372|0.210152|8.912941|17.594759|6.675205|14.070772|6.288029|3.819274|2.978420|2.569142|2.191506|2.098978|2.305313|2.756976|16.733590|14.199286|12.331234|0.062088|0.049178|0.048650|0.061056|0.079222|0.075351|0.113611|0.108315|0.145439|0.130562|0.137346|0.191905|0.131788|0.127095|0.172978|0.216192|0.500000| |2.252959|1.964040|1.886046|2.032653|2.355716|2.523513|3.046467|3.795263|6.441893|6.697212|4.728026|6.748676|0.214115|8.786417|6.981573|5.484588|4.880373|7.643102|0.127089|0.144951|8.994359|17.565608|5.199851|9.064883|5.412921|3.219691|2.641474|2.346251|2.037597|1.951657|2.111990|2.460780|15.455513|13.413754|13.013384|0.063448|0.050595|0.053347|0.069187|0.083012|0.083797|0.109655|0.115541|0.221679|0.157691|0.123152|0.136919|0.128850|0.107579|0.212768|0.212229|0.303491|0.500000| |2.710698|2.267353|2.069917|2.157184|2.527049|2.928124|3.761888|3.749185|5.479188|6.363973|7.168849|7.490410|0.196097|4.687877|4.038091|4.074804|3.084705|3.907358|0.069235|0.081856|3.005031|3.894866|9.406330|10.870997|26.052836|9.040944|7.311537|5.534117|4.265285|3.965014|4.492177|6.055795|28.264392|23.880730|14.011220|0.081117|0.059130|0.054791|0.070829|0.118341|0.108468|0.191409|0.224624|0.105041|0.092961|0.112997|0.119135|0.079009|0.078429|0.077434|0.075554|0.112930|0.105262|0.500000| |2.000057|1.749097|1.619221|1.665880|1.877920|2.096156|2.489498|2.530096|3.956487|4.075858|3.799869|4.469234|0.122807|3.454293|2.876584|3.204643|2.614945|3.523855|0.063567|0.077283|2.661475|3.296482|6.454787|10.669580|12.372366|17.579002|8.890604|7.291863|4.770726|3.975191|4.184990|5.601333|25.169552|23.581341|11.358261|0.059356|0.046610|0.043131|0.052602|0.075437|0.070626|0.105330|0.107533|0.076844|0.069888|0.084492|0.099846|0.065610|0.068596|0.066629|0.070353|0.103921|0.088614|0.202063|0.500000| |2.118929|1.844981|1.682408|1.707672|1.917975|2.176926|2.572739|2.630320|4.097716|4.276927|4.009416|4.679486|0.116639|3.753385|3.014212|3.774598|3.005755|3.945459|0.070545|0.088321|2.833944|3.451410|7.395582|13.726630|12.599425|17.645050|8.856194|5.837168|4.286062|3.973899|4.631673|6.822771|28.774702|23.535809|11.782351|0.064090|0.049586|0.043858|0.052934|0.079675|0.070626|0.118868|0.106518|0.077401|0.074345|0.100058|0.125278|0.073363|0.080623|0.070180|0.073654|0.109793|0.087946|0.181070|0.303471|0.500000| |1.879515|1.666233|1.546790|1.581395|1.760017|1.947508|2.253806|2.185200|3.440707|3.335152|2.999908|3.150180|0.088049|2.545529|2.281504|2.399851|2.031919|2.698361|0.049952|0.057821|2.031145|2.399919|3.840785|6.234309|6.945005|6.959621|8.902224|17.718588|8.958751|5.653792|4.957739|5.657212|27.436069|31.785858|10.961027|0.055613|0.044703|0.041100|0.049061|0.068264|0.065197|0.084392|0.089420|0.061718|0.056679|0.065789|0.071848|0.052473|0.054090|0.052513|0.054008|0.071873|0.065973|0.142937|0.222790|0.149940|0.500000| |1.822802|1.641263|1.518821|1.531088|1.675423|1.848111|2.071314|1.939204|3.077190|2.841866|2.471470|2.437652|0.067099|2.050710|1.909519|1.984083|1.718017|2.244911|0.042209|0.047496|1.667191|1.906556|2.776099|4.547302|4.682306|4.085861|5.639164|8.910027|17.753776|8.970571|5.663674|4.974741|31.493341|54.630716|10.889845|0.054090|0.044569|0.039810|0.046120|0.062969|0.059894|0.071195|0.074065|0.051463|0.048492|0.055857|0.058338|0.045065|0.046397|0.043928|0.044247|0.055597|0.052314|0.099978|0.113318|0.099031|0.215896|0.500000| 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