Version2.1 2021-01-12T10:52:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(cc1[C@@H]3[C@H]4CCCC[C@]4(CC[NH+]3CC(=O)Nc5ccc(cc5Cl)Cl)O)OCO2 C13776987 RHF 6-31G(d) (6D,7F) c1cc2c(cc1[C@@H]3[C@H]4CCCC[C@]4(CC[NH+]3CC(=O)Nc5ccc(cc5Cl)Cl)O)OCO2 C01[X(C24H27Cl2N2O4)] 171 C1 542 Clc1ccc(c(c1)Cl)NC(=O)C[NH+]1CC[C@]2([C@@H]([C@H]1c1ccc3c(c1)OCO3)CCCC2)O Clc1ccc(c(c1)Cl)NC(=O)C[NH+]1CC[C@]2([C@@H]([C@H]1c1ccc3c(c1)OCO3)CCCC2)O O[C@@]12CCCC[C@@H]1[C@H]([NH+](CC2)CC(=O)Nc3ccc(Cl)cc3Cl)c4ccc5OCOc5c4 InChIKey=JIJIPXXOLJEYFK-UOKFIYJESA-O InChI=1S/C24H26Cl2N2O4/c25-16-5-6-19(18(26)12-16)27-22(29)13-28-10-9-24(30)8-2-1-3-17(24)23(28)15-4-7-20-21(11-15)32-14-31-20/h4-7,11-12,17,23,30H,1-3,8-10,13-14H2,(H,27,29)/p+1/t17-,23-,24-/m1/s1 InChI=1/C24H26Cl2N2O4/c25-16-5-6-19(18(26)12-16)27-22(29)13-28-10-9-24(30)8-2-1-3-17(24)23(28)15-4-7-20-21(11-15)32-14-31-20/h4-7,11-12,17,23,30H,1-3,8-10,13-14H2,(H,27,29)/p+1/t17-,23-,24-/m1/s1/fC24H27Cl2N2O4/h27-28H/q+1 c1cc2c(cc1[C@@H]3[C@H]4CCCC[C@]4(CC[NH+]3CC(=O)Nc5ccc(cc5Cl)Cl)O)OCO2 C01[X(C24H27Cl2N2O4)] 171 C01 542 Clc1ccc(c(c1)Cl)NC(=O)C[NH+]1CC[C@]2([C@@H]([C@H]1c1ccc3c(c1)OCO3)CCCC2)O O=[C]([NH][C]1[CH][CH][C]([CH][C]1Cl)Cl)C[NH]1CC[C@]2([C@@H]([C@H]1[C]1[CH][CH][C]3[C]([CH]1)OCO3)CCCC2)O O[C@@]12CCCC[C@@H]1[C@@H]([C]3[CH][CH][C]4OCO[C]4[CH]3)[NH](CC2)CC(=O)N[C]5[CH][CH][C](Cl)[CH][C]5Cl InChIKey=RJZHRIFRUQOCRM-UOKFIYJESA-N InChI=1S/C24H27Cl2N2O4/c25-16-5-6-19(18(26)12-16)27-22(29)13-28-10-9-24(30)8-2-1-3-17(24)23(28)15-4-7-20-21(11-15)32-14-31-20/h4-7,11-12,17,23,28,30H,1-3,8-10,13-14H2,(H,27,29)/t17-,23-,24-/m1/s1 InChI=1/C24H27Cl2N2O4/c25-16-5-6-19(18(26)12-16)27-22(29)13-28-10-9-24(30)8-2-1-3-17(24)23(28)15-4-7-20-21(11-15)32-14-31-20/h4-7,11-12,17,23,28,30H,1-3,8-10,13-14H2,(H,27,29)/t17-,23-,24-/m1/s1/f/h27H 3577.2669097076 -2251.678937 1-A 21498.1995 125 417 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.93495 -104.90682 -20.70920 -20.70783 -20.68606 -20.67298 -15.83314 -15.74267 -11.51213 -11.44760 -11.44410 -11.43799 -11.42853 -11.41286 -11.41119 -11.41116 -11.41107 -11.40624 -11.39651 -11.37328 -11.36280 -11.36137 -11.36124 -11.36016 -11.35414 -11.35102 -11.34849 -11.34410 -11.33650 -11.32386 -11.31966 -11.31843 -10.66827 -10.64016 -8.13759 -8.13436 -8.13416 -8.10958 -8.10606 -8.10604 -1.59897 -1.55932 -1.49063 -1.48827 -1.47442 -1.40386 -1.30155 -1.29033 -1.25084 -1.24753 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0.7088 0.8536 0.8265 0.7593 0.2357 0.2995 0.4240 0.5670 0.3046 0.5460 0.1848 0.5739 0.4870 0.1240 0.2390 0.8476 0.6076 0.4403 0.3629 0.2446 0.8275 0.6128 0.0653 0.6158 0.1859 0.8299 0.8388 0.6763 0.2090 0.8519 0.7475 0.4538 0.7611 0.1164 0.6705 0.7696 0.7199 0.3574 0.8197 0.8569 0.8474 0.7584 0.2731 0.2764 0.8571 0.7799 0.8214 0.4470 0.7584 0.3129 0.2473 0.3715 0.7997 0.4794 0.4170 0.8273 0.8009 0.7599 0.5816 0.2366 0.7965 0.6082 0.7956 0.3506 0.5710 0.6397 0.5568 0.8453 0.6822 0.3816 0.8538 0.8556 0.2526 0.7166 0.2657 0.8008 0.5699 0.8468 0.8283 0.7318 0.3427 0.8524 0.7687 0.6691 0.6857 0.7111 0.6384 0.7868 0.8074 0.8099 0.4494 0.8412 0.5778 0.8535 0.8570 0.4024 0.6385 0.7932 0.8278 0.6149 0.6884 0.8293 0.4175 0.4599 0.3801 0.4185 0.7946 0.2841 0.2901 0.8511 0.1482 0.5722 0.7143 0.3872 0.2585 0.1153 0.3061 0.6843 0.7251 0.6838 0.7958 0.4997 0.4545 0.5604 0.4169 0.4533 0.3196 0.2572 0.2183 0.4701 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 1 6 1 6 6 6 6 6 6 6 7 1 6 6 8 7 6 6 6 6 6 6 17 17 8 8 6 8 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 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 15.99491 15.99491 12.00000 15.99491 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 11385.9192 31246.6937 37767.0219 0.99990 -0.01381 0.00291 0.01381 0.99990 -0.00156 -0.00288 0.00160 0.99999 1 0.00761 0.00277 0.00229 0.15851 0.05776 0.04779 13.04 17.41 34.07 48.84 65.14 76.60 88.55 108.26 116.61 127.24 176.81 222.25 240.49 249.35 272.86 279.56 315.16 324.80 339.77 381.00 409.42 416.51 449.23 451.10 467.54 500.82 545.93 554.25 582.02 586.95 615.26 629.84 645.66 677.29 683.95 714.98 719.97 727.02 740.86 752.44 799.39 842.78 847.72 881.06 907.35 916.47 944.80 954.86 1009.66 1023.40 1044.92 1126.80 1128.82 1143.48 1152.25 1166.96 1218.39 1224.53 1272.92 1290.28 1298.57 1329.28 1337.25 1341.70 1360.18 1370.82 1389.24 1416.78 1440.52 1465.20 1465.41 1484.50 1507.96 1528.08 1534.81 1563.25 1582.56 1584.61 1606.60 1610.34 1626.39 1643.32 1661.07 1672.51 1687.68 1696.02 1723.33 1739.80 1754.00 1757.01 1765.07 1771.85 1799.14 1812.54 1847.27 1856.93 1859.88 1862.11 1889.87 1908.54 1912.53 1928.47 1938.33 1961.56 1989.37 2005.22 2026.60 2043.21 2056.15 2062.02 2068.06 2100.49 2122.09 2150.23 2159.83 2183.82 2187.42 2198.33 2204.19 2211.50 2220.27 2221.39 2231.63 2250.13 2275.12 2283.04 2322.59 2332.34 2351.67 2353.36 2359.65 2360.90 2366.63 2375.27 2377.75 2385.06 2417.70 2464.79 2483.22 2575.21 2589.19 2599.91 2616.84 2801.76 4578.65 4597.39 4632.81 4635.92 4643.31 4650.75 4678.20 4694.80 4695.82 4705.12 4720.31 4726.11 4729.06 4741.46 4744.52 4805.04 4820.18 4836.70 4840.93 4874.44 4907.57 4911.63 4924.92 4952.74 5224.37 5544.88 5881.00 0.523539 0.549985 0.550929 0.462477 -2251.155398 -2251.128952 -2251.128008 -2251.216460 2.966695D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE c1cc2c(cc1[C@@H]3[C@H]4CCCC[C@]4(CC[NH+]3CC(=O)Nc5ccc(cc5Cl)Cl)O)OCO2 C13776987 RHF 6-31G(d) (6D,10F) C1 477.134788 |X|Y|Z| 122.854275 70.389247 38.083618 69.057618 28 6 7 8 24 2 2 |36.858105| |13.607141|36.858105| |8.078556|13.947539|36.858105| |6.976619|7.927657|13.753770|36.858105| |7.876411|6.739310|7.920112|13.953989|36.858105| |13.763079|7.832381|6.931039|8.039008|13.536084|36.858105| |7.529477|4.976879|4.465037|5.071130|7.569675|12.549103|36.858105| |5.603409|4.175054|4.030087|4.866073|7.457007|8.939405|17.627312|0.500000| |6.081739|4.288147|3.752932|4.014120|5.250121|7.442361|12.310968|0.242938|36.858105| |6.772895|4.651463|3.824514|3.846985|4.727868|6.910317|8.913562|0.173893|17.539903|0.500000| |5.197356|4.054005|3.741256|4.081663|5.150058|6.245306|7.455571|0.186746|12.349768|0.247463|36.858105| |3.932651|3.264523|3.197216|3.652885|4.597961|4.889102|5.926471|0.179935|7.421408|0.152553|12.440955|36.858105| |3.251738|2.716799|2.619798|2.913667|3.564094|3.873756|4.966430|0.151243|6.358902|0.135466|7.548262|12.461003|36.858105| |3.433047|2.779629|2.621588|2.889450|3.601489|4.116404|5.877271|0.178371|7.449537|0.153437|6.475137|7.549046|12.443343|36.858105| |4.180733|3.220089|2.897186|3.087682|3.848083|4.831544|7.353854|0.184883|12.328235|0.249806|7.513814|6.404269|7.465839|12.391405|36.858105| |3.939894|3.056340|2.718732|2.849349|3.482390|4.381280|6.444978|0.159937|7.567606|0.192713|4.902229|4.341787|4.863870|7.470614|12.428704|36.858105| |4.240092|3.263188|2.944718|3.152550|3.953090|4.954470|7.552723|0.195403|6.476721|0.160209|4.359872|3.996358|4.186411|5.972626|7.477382|12.568141|36.858105| |6.173084|4.345595|3.807768|4.084192|5.375154|7.642092|12.435620|0.254365|7.568057|0.192726|4.887557|4.180894|3.944573|5.014945|6.417803|7.679072|12.681737|53.358707| |6.779211|4.657337|3.847720|3.891329|4.816829|7.047531|9.137475|0.181378|7.036839|0.210263|4.594340|3.752536|3.539295|4.353623|5.875200|7.220207|9.378908|25.596047|0.500000| |5.391374|4.193506|3.856594|4.200003|5.318106|6.485075|7.490073|0.192700|4.912778|0.128504|3.738901|3.395252|3.181764|3.819364|4.341270|5.023217|7.770782|17.442912|0.265351|36.858105| |4.609647|3.815270|3.402565|3.457007|3.978260|4.755497|5.055819|0.126356|3.908222|0.109705|3.059633|2.748280|2.632890|3.115517|3.602885|4.359673|6.072664|10.641372|0.227143|12.448050|36.858105| |4.702179|3.842170|3.272347|3.200499|3.617577|4.504465|4.814565|0.114754|4.015846|0.118929|3.086685|2.693427|2.600851|3.083208|3.728659|4.644331|5.938078|9.963624|0.259721|8.081743|15.858263|73.516695| |3.687183|3.274206|3.050070|3.113099|3.441391|3.804197|3.887853|0.102658|3.109669|0.086256|2.566519|2.374562|2.285176|2.642644|2.922272|3.423861|4.510962|7.107332|0.144577|7.886615|14.233662|14.918518|53.358707| |3.060687|2.821409|2.625338|2.611340|2.787153|3.041394|3.070352|0.080986|2.598076|0.073330|2.194770|2.035080|1.977567|2.255634|2.484624|2.895518|3.566707|5.306128|0.112121|5.028451|7.736209|11.655146|18.278620|36.858105| |3.042159|2.856339|2.594190|2.494955|2.607306|2.888074|2.857237|0.073638|2.492451|0.072196|2.116991|1.930332|1.868953|2.109526|2.365151|2.734408|3.212703|4.822290|0.106871|4.222073|6.282071|11.423864|10.562251|13.730614|36.858105| |2.522905|2.419661|2.226548|2.135608|2.200542|2.394687|2.371098|0.061826|2.125563|0.061535|1.843301|1.696530|1.654137|1.846579|2.044278|2.334012|2.653505|3.857801|0.084519|3.242150|4.341262|7.985250|6.980452|7.924964|13.788187|36.858105| |2.208100|2.121405|1.994566|1.946484|2.009135|2.144889|2.145510|0.057037|1.926467|0.054952|1.688935|1.580645|1.552537|1.729266|1.877335|2.134057|2.429769|3.448308|0.073543|2.913156|3.718840|6.527045|6.186539|6.869225|7.963780|13.775282|36.858105| |2.210496|2.103407|2.005619|1.997034|2.083969|2.200549|2.225772|0.060104|1.969319|0.055317|1.724104|1.633393|1.609827|1.802849|1.930660|2.201813|2.564260|3.601634|0.074958|3.131557|3.946561|6.543940|7.010787|7.889751|6.868117|7.933141|13.791163|36.858105| |2.537449|2.373045|2.262260|2.281548|2.419990|2.566755|2.615634|0.070834|2.252892|0.062759|1.943360|1.840032|1.807160|2.047135|2.196834|2.532709|3.063735|4.355105|0.089428|3.992211|5.251875|8.104966|10.708291|13.710063|7.971271|6.909396|7.999043|13.788061|36.858105| |2.375699|2.209209|2.159319|2.247229|2.416837|2.496001|2.589702|0.072605|2.209474|0.060033|1.926012|1.870033|1.849897|2.097526|2.181778|2.490071|3.060211|4.231800|0.083039|3.929108|4.567764|6.741688|8.711999|6.990411|4.756193|4.233061|4.790802|7.083382|10.927040|448.794386| |1.863157|1.813388|1.716685|1.669540|1.705976|1.804405|1.801378|0.048112|1.651363|0.047156|1.472229|1.385527|1.366218|1.504207|1.619569|1.814657|2.009916|2.816730|0.059917|2.304934|2.789293|4.979022|4.377597|4.228401|4.777307|7.048077|10.998761|7.071302|4.791478|28.475999|448.794386| |3.658811|2.933920|2.616370|2.703953|3.204503|3.915211|5.106670|0.127569|8.188014|0.218784|6.618791|5.447710|6.437732|7.894468|13.556710|8.001455|5.103384|6.274501|0.127701|3.397261|3.006896|5.697877|3.401919|2.196764|2.141537|1.886210|1.730051|1.754817|1.957310|15.402067|12.174312|73.516695| |4.692799|5.409165|8.554885|14.158183|7.794403|5.196536|3.844119|0.107398|3.197192|0.084770|3.334917|3.155057|2.570399|2.506974|2.594030|2.408891|2.645666|4.418360|0.085696|3.414896|2.902271|4.756407|3.707908|2.341296|2.230423|1.947961|1.803526|1.858191|2.097982|16.836977|12.581843|4.108476|73.516695| |4.217729|5.350740|8.585320|8.585660|5.352904|4.204757|3.193417|0.086581|2.778533|0.076070|2.894163|2.685322|2.235758|2.180734|2.287927|2.146290|2.315077|3.805666|0.076161|2.919068|2.609254|4.375838|3.369593|2.190725|2.136378|1.892078|1.744206|1.771499|1.966683|15.491109|12.307149|3.720743|23.928920|36.858105| |5.210964|7.784183|14.170092|8.564320|5.411283|4.674423|3.407493|0.088477|2.982099|0.084271|3.034528|2.692601|2.252685|2.229142|2.411702|2.281171|2.447438|4.110172|0.084714|3.115534|2.849764|4.879515|3.614444|2.357863|2.348840|2.063782|1.867147|1.869520|2.073490|15.919079|13.104686|3.950999|14.918435|13.479106|73.516695| |17.708946|8.966420|5.730198|5.005152|5.605200|8.892334|6.939776|0.140073|6.373069|0.226174|5.051154|3.728876|3.213351|3.478245|4.475391|4.346846|4.487633|8.677266|0.220312|5.172343|4.743330|9.328611|5.009667|3.115181|3.174191|2.629558|2.269814|2.242949|2.556441|18.853871|15.378353|7.161578|6.598501|3.447461|7.442640|0.500000| |8.804709|17.755364|8.932410|5.634897|4.885112|5.591592|4.059528|0.095888|3.703979|0.114923|3.508420|2.850124|2.434840|2.492491|2.897721|2.794126|2.924255|5.088473|0.114472|3.612229|3.483269|6.444568|4.136922|2.710937|2.829682|2.433314|2.112120|2.058219|2.283376|16.764415|14.637902|4.838396|7.769615|4.644149|12.193250|0.215117|0.500000| |5.598642|4.883394|5.639988|8.968829|17.729331|8.753788|6.962022|0.227733|4.916301|0.117199|4.954138|4.912867|3.802667|3.797330|3.815013|3.421746|3.927322|6.833454|0.119509|5.053915|3.697283|5.865832|4.460377|2.653412|2.435632|2.074796|1.925553|2.023945|2.354809|19.438932|13.180179|5.553575|12.283633|4.663000|7.790425|0.122963|0.106390|0.500000| |4.454952|3.626040|3.295224|3.445134|4.073915|4.846962|5.518670|0.137782|8.960637|0.225736|17.597914|8.889554|6.862411|5.745695|6.856051|4.554478|3.834145|5.597130|0.112106|3.207066|2.744429|5.033550|3.163624|2.029167|1.984074|1.747756|1.600757|1.620975|1.805733|14.253802|11.309945|13.247343|5.147783|2.600676|4.891746|0.126539|0.090754|0.108014|0.500000| |6.100967|4.856961|4.540190|4.964344|6.161732|7.249233|7.003124|0.172278|8.787032|0.210487|17.597508|8.799418|5.494417|4.840334|5.478354|4.073938|3.850442|6.226945|0.121687|3.680162|3.025297|5.389493|3.484919|2.191340|2.125900|1.849483|1.688072|1.716962|1.932560|15.289323|11.816202|8.806403|6.988476|3.394046|6.378325|0.153787|0.113342|0.155426|0.304604|0.500000| |3.482001|3.026786|3.021918|3.420371|4.072148|4.132144|4.569152|0.135318|5.457437|0.124191|8.874129|17.565832|8.834984|5.501097|4.822809|3.517788|3.257581|4.648421|0.087399|2.888875|2.404004|4.202393|2.879717|1.840831|1.758796|1.562125|1.460444|1.503682|1.677526|13.674251|10.373675|8.001092|5.425615|2.637997|4.641466|0.091334|0.074429|0.120135|0.216209|0.213260|0.500000| |4.031437|3.363871|3.403698|4.091900|5.404514|5.343555|6.418921|0.221146|6.611217|0.136469|8.774745|17.489219|8.837215|6.739812|5.587671|4.134249|4.107494|6.000724|0.105966|3.709597|2.901611|4.918484|3.439078|2.134791|1.996416|1.744896|1.632822|1.702556|1.934711|15.997389|11.424173|7.970927|6.305543|2.907826|5.068129|0.102366|0.080018|0.174257|0.173454|0.211990|0.304878|0.500000| |3.006669|2.549044|2.430054|2.632456|3.115387|3.419220|4.196527|0.120493|5.604863|0.129073|6.794002|8.870936|17.563280|8.854018|6.715315|4.479013|3.685557|4.717920|0.089647|2.812778|2.405763|4.305473|2.853359|1.843342|1.764506|1.575099|1.476057|1.518295|1.687135|13.722728|10.511202|12.561790|4.156591|2.078772|3.756859|0.084260|0.064603|0.089765|0.202022|0.139838|0.216280|0.173914|0.500000| |2.836964|2.433464|2.395479|2.690233|3.237557|3.368248|4.149185|0.130991|4.789874|0.107065|5.493707|8.809849|17.560412|8.859775|5.472670|4.058422|3.676558|4.671094|0.085154|2.901156|2.415599|4.185954|2.914439|1.863746|1.749709|1.559671|1.478264|1.542103|1.726136|14.385030|10.495271|8.573499|4.330985|2.115688|3.726296|0.076970|0.060848|0.098535|0.140183|0.123096|0.210512|0.215545|0.303658|0.500000| |2.924805|2.426995|2.290340|2.486552|3.001670|3.374219|4.528554|0.134162|5.468828|0.124847|4.858192|5.492880|8.802176|17.508109|8.873468|6.875153|5.309726|5.745933|0.104958|3.354185|2.850143|5.058750|3.347786|2.138248|2.003773|1.774133|1.673960|1.745995|1.965636|16.225545|11.777776|12.732374|3.906581|1.940872|3.524522|0.083422|0.061533|0.087438|0.128633|0.106772|0.123302|0.138536|0.215099|0.211787|0.500000| |3.468079|2.812481|2.699567|3.049188|3.891789|4.327882|6.347580|0.218015|6.630450|0.137067|5.635860|6.760336|8.866542|17.517868|8.776189|6.881601|6.668325|7.499127|0.125007|4.327682|3.377746|5.736434|3.921915|2.412409|2.210382|1.920692|1.809869|1.911244|2.198074|18.439456|12.535940|10.109740|4.717201|2.266677|4.071852|0.095169|0.069227|0.118267|0.131832|0.125658|0.138993|0.196945|0.174134|0.217477|0.305013|0.500000| |4.052207|3.144940|2.719251|2.761405|3.281079|4.204362|5.669813|0.132982|6.800102|0.204466|4.518123|3.798049|4.072399|5.507938|8.908284|17.546223|8.904433|9.419125|0.212754|4.681571|4.396893|8.972611|4.640419|2.950869|2.873627|2.453775|2.206114|2.234207|2.542243|19.447087|15.076352|13.598886|4.135856|2.111932|4.062961|0.131217|0.081582|0.086933|0.121614|0.107759|0.088360|0.099185|0.108979|0.095216|0.144189|0.139303|0.500000| |3.218754|2.603727|2.360782|2.476886|2.959940|3.539301|4.836191|0.128610|5.493109|0.141147|4.062279|3.834678|4.557359|7.006020|8.787570|17.545576|8.985112|7.609619|0.146280|4.174711|3.764755|7.037449|4.217513|2.689191|2.530514|2.202611|2.045765|2.121046|2.413213|19.311476|14.119934|12.318303|3.814186|1.925090|3.597955|0.096964|0.066997|0.082314|0.108012|0.094910|0.088674|0.101478|0.119238|0.110000|0.211723|0.178554|0.303589|0.500000| |3.763971|3.002659|2.705604|2.838623|3.420503|4.157794|5.553165|0.144280|4.871636|0.129407|3.534051|3.258949|3.412642|4.575678|5.470227|8.846481|17.641317|12.403241|0.227156|7.379283|6.935831|12.355010|6.991277|4.101623|3.642156|2.977820|2.724859|2.891536|3.496428|27.581880|17.811815|7.508178|4.306370|2.155686|4.068875|0.112142|0.076380|0.093582|0.089066|0.089270|0.076406|0.092786|0.085941|0.085551|0.120300|0.138385|0.216255|0.214012|0.500000| |3.786584|3.006562|2.813755|3.107183|3.942896|4.619798|6.915570|0.212095|5.723138|0.133634|4.196057|4.150786|4.448568|6.484484|6.681254|8.765987|17.626663|12.421578|0.182441|7.105717|5.219353|8.451094|5.721285|3.321278|2.921627|2.450266|2.294327|2.465709|2.952274|24.815473|15.351541|8.120162|4.725464|2.289691|4.204660|0.106332|0.074274|0.114449|0.100818|0.102841|0.093412|0.123239|0.104768|0.112324|0.159903|0.232013|0.173136|0.212885|0.301278|0.500000| |4.265789|3.483860|3.340360|3.744650|4.712189|5.230312|6.289439|0.185737|4.375170|0.110369|3.459808|3.316078|3.191000|3.875777|4.121685|4.769055|7.579414|12.319836|0.185602|17.625916|8.720143|10.758589|9.731962|4.716919|3.801822|3.016675|2.810807|3.115459|4.010196|34.395893|17.993993|5.696056|5.654821|2.695121|4.952991|0.113046|0.084453|0.134214|0.082661|0.093035|0.078461|0.102625|0.077327|0.082798|0.095917|0.127600|0.117817|0.115637|0.202926|0.227945|0.500000| |6.278626|4.985435|4.737538|5.322135|6.843293|7.879423|7.370206|0.191023|4.683878|0.122923|3.768798|3.407057|3.060138|3.495034|3.896391|4.169567|5.679309|12.302262|0.209516|17.662032|8.897573|11.427365|9.320543|4.602525|3.971034|3.089719|2.773352|2.955828|3.701106|29.216020|17.806561|5.565134|7.417277|3.470225|6.598127|0.152611|0.114381|0.172280|0.088687|0.107635|0.081681|0.105350|0.075158|0.077895|0.084382|0.108894|0.109689|0.097470|0.145823|0.150944|0.301036|0.500000| |3.476940|3.125880|3.015881|3.173487|3.523583|3.727910|3.801338|0.104441|2.993216|0.081081|2.517851|2.381025|2.285407|2.623838|2.816753|3.224937|4.272682|6.638038|0.127497|7.649415|9.501420|10.850055|26.023645|9.270433|5.816963|4.302229|4.063025|4.822613|7.354238|59.696722|23.919034|4.248725|5.024645|2.527538|4.707215|0.093542|0.079458|0.095707|0.062810|0.069938|0.059040|0.071514|0.057703|0.060182|0.067697|0.080906|0.086790|0.081917|0.130462|0.116691|0.219784|0.194991|0.500000| |3.487016|3.260054|2.869253|2.697858|2.811120|3.194801|3.109862|0.078147|2.720357|0.080399|2.288178|2.045836|1.963022|2.212311|2.533595|2.919946|3.388211|5.266350|0.121692|4.477387|6.776147|13.841072|9.650538|8.933188|17.798802|8.960947|5.668833|4.955816|5.665088|31.486681|31.670905|4.095419|4.209602|2.281120|4.556188|0.103311|0.090891|0.071489|0.059662|0.064182|0.051671|0.058402|0.051638|0.050538|0.057894|0.063788|0.086967|0.073663|0.105127|0.083585|0.106807|0.118226|0.146786|0.500000| |2.430920|2.359786|2.153726|2.036000|2.076867|2.266932|2.227047|0.057672|2.031813|0.059456|1.775400|1.624010|1.581143|1.751494|1.949172|2.204577|2.445329|3.558365|0.078914|2.897400|3.753769|7.168324|5.657575|5.644798|8.937207|17.759216|8.928609|5.649713|4.974156|27.441433|53.757386|3.243993|3.306453|1.829299|3.576718|0.071068|0.067097|0.054069|0.047163|0.049621|0.041760|0.046058|0.042132|0.041321|0.046815|0.050097|0.065126|0.057804|0.075264|0.062405|0.074285|0.077493|0.098702|0.216089|0.500000| |1.987465|1.899464|1.830791|1.836136|1.912273|1.995556|2.025789|0.055306|1.806388|0.050412|1.598600|1.530308|1.515428|1.688224|1.784376|2.018044|2.327231|3.222248|0.066300|2.764046|3.324476|5.505505|5.696322|5.631654|4.953811|5.642848|8.907101|17.772758|8.937362|54.376851|53.799078|2.894614|3.072227|1.648166|3.059199|0.055727|0.051563|0.052092|0.041847|0.044147|0.039312|0.044345|0.039746|0.040612|0.045684|0.049764|0.056438|0.054572|0.072215|0.063073|0.077862|0.072862|0.113970|0.107646|0.124170|0.500000| |3.110720|2.564734|2.322360|2.406439|2.814095|3.325713|4.237314|0.110495|5.983352|0.158140|5.185123|4.736881|6.069324|7.534027|9.745427|7.166464|4.643695|5.434971|0.109517|3.065953|2.757537|5.195975|3.177779|2.076269|2.018876|1.796822|1.662814|1.690696|1.874152|14.850915|11.783672|35.688778|3.724740|1.905763|3.565328|0.093931|0.066683|0.077391|0.159625|0.112758|0.112329|0.110679|0.193612|0.132957|0.223352|0.150113|0.185844|0.200591|0.110348|0.119021|0.082157|0.078012|0.062281|0.059685|0.048287|0.043841|0.500000| |3.607999|4.440361|6.361032|6.361156|4.443228|3.599239|2.840120|0.077732|2.466461|0.067574|2.523370|2.375838|2.024404|1.994298|2.079362|1.983309|2.156563|3.498335|0.070012|2.749841|2.505189|4.167806|3.316144|2.181986|2.123591|1.895689|1.759992|1.791244|1.978871|15.626658|12.462934|3.384588|16.554127|17.685979|16.562442|0.084322|0.111426|0.111871|0.063516|0.080008|0.064669|0.071493|0.052368|0.053697|0.049827|0.057896|0.054238|0.049863|0.056517|0.059497|0.071336|0.090350|0.069672|0.062343|0.050835|0.046464|0.048581|0.500000| 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