Version2.0 2020-01-16T08:16:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CN(CCN1C(=O)CSc2ccccc2)C(=O)CC[NH+]3CCc4c(ccs4)[C@@H]3c5ccccc5 C35938605 RHF 6-31G(d) (6D,7F) C[C@H]1CN(CCN1C(=O)CSc2ccccc2)C(=O)CC[NH+]3CCc4c(ccs4)[C@@H]3c5ccccc5 C01[X(C29H34N3O2S2)] 204 C1 616 O=C(N1CCN([C@H](C1)C)C(=O)CSc1ccccc1)CC[NH+]1CCc2c([C@@H]1c1ccccc1)ccs2 O=C(N1CCN([C@H](C1)C)C(=O)CSc1ccccc1)CC[NH+]1CCc2c([C@@H]1c1ccccc1)ccs2 C[C@H]1CN(CCN1C(=O)CSc2ccccc2)C(=O)CC[NH+]3CCc4sccc4[C@@H]3c5ccccc5 InChIKey=VAKIXKIARRDMCS-ZTOMLWHTSA-O InChI=1S/C29H33N3O2S2/c1-22-20-31(17-18-32(22)28(34)21-36-24-10-6-3-7-11-24)27(33)13-16-30-15-12-26-25(14-19-35-26)29(30)23-8-4-2-5-9-23/h2-11,14,19,22,29H,12-13,15-18,20-21H2,1H3/p+1/t22-,29-/m0/s1 InChI=1/C29H33N3O2S2/c1-22-20-31(17-18-32(22)28(34)21-36-24-10-6-3-7-11-24)27(33)13-16-30-15-12-26-25(14-19-35-26)29(30)23-8-4-2-5-9-23/h2-11,14,19,22,29H,12-13,15-18,20-21H2,1H3/p+1/t22-,29-/m0/s1/fC29H34N3O2S2/h30H/q+1 C[C@H]1CN(CCN1C(=O)CSc2ccccc2)C(=O)CC[NH+]3CCc4c(ccs4)[C@@H]3c5ccccc5 C01[X(C29H34N3O2S2)] 204 C01 616 O=C(N1CCN([C@H](C1)C)C(=O)CSc1ccccc1)CC[NH+]1CCc2c([C@@H]1c1ccccc1)ccs2 O=C(N1CCN([C@H](C1)C)C(=O)CSc1ccccc1)CC[NH]1CCc2c([C@@H]1c1ccccc1)ccs2 C[C@H]1CN(CCN1C(=O)CSc2ccccc2)C(=O)CC[NH]3CCc4sccc4[C@@H]3c5ccccc5 InChIKey=ONKCNKVKMAFZKM-ZTOMLWHTSA-N InChI=1S/C29H34N3O2S2/c1-22-20-31(17-18-32(22)28(34)21-36-24-10-6-3-7-11-24)27(33)13-16-30-15-12-26-25(14-19-35-26)29(30)23-8-4-2-5-9-23/h2-11,14,19,22,29-30H,12-13,15-18,20-21H2,1H3/t22-,29-/m0/s1 InChI=1/C29H34N3O2S2/c1-22-20-31(17-18-32(22)28(34)21-36-24-10-6-3-7-11-24)27(33)13-16-30-15-12-26-25(14-19-35-26)29(30)23-8-4-2-5-9-23/h2-11,14,19,22,29-30H,12-13,15-18,20-21H2,1H3/t22-,29-/m0/s1 3935.5390007868 -2225.8934576 1-A 36212.0353 138 478 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.08445 -91.99429 -20.63623 -20.60018 -15.84243 -15.69719 -15.66603 -11.46869 -11.44954 -11.44073 -11.42709 -11.42513 -11.39407 -11.39034 -11.38750 -11.37805 -11.37482 -11.37452 -11.37345 -11.36518 -11.36123 -11.35961 -11.35173 -11.35049 -11.34995 -11.34873 -11.34624 -11.34312 -11.33156 -11.31216 -11.28992 -11.28987 -11.28834 -11.28814 -11.28559 -11.28532 -9.09460 -9.00287 -6.77710 -6.77609 -6.77443 -6.68557 -6.68433 -6.68208 -1.50901 -1.48415 -1.47227 -1.37581 -1.32053 -1.31053 -1.28598 -1.22687 -1.21453 -1.21369 -1.17372 -1.15859 -1.14046 -1.13427 -1.12391 -1.10925 -1.10270 -1.07165 -1.06817 -1.05472 -1.04298 -1.02688 -1.01724 -0.98385 -0.96274 -0.95366 -0.94143 -0.90715 -0.89656 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11125.1099 60266.2762 63592.8018 0.99998 0.00575 0.00005 -0.00575 0.99993 -0.01049 -0.00011 0.01049 0.99994 1 0.00779 0.00144 0.00136 0.16222 0.02995 0.02838 9.60 18.16 24.35 32.57 43.17 46.17 50.76 80.74 81.67 86.85 92.38 112.15 119.49 129.18 189.92 194.99 209.83 215.65 241.80 271.81 297.42 305.31 339.26 365.57 373.87 379.39 404.88 432.38 437.98 454.86 490.43 518.82 530.77 561.57 578.28 628.74 644.12 655.61 658.67 664.30 691.21 729.70 747.20 761.55 788.95 800.35 810.82 856.46 892.17 912.39 922.29 929.76 939.77 968.75 973.87 990.17 992.27 1094.54 1106.31 1113.72 1120.13 1120.69 1145.15 1158.22 1212.92 1215.50 1225.76 1244.46 1257.35 1297.45 1306.53 1311.76 1332.61 1359.81 1382.73 1385.43 1401.00 1409.03 1451.12 1478.68 1480.30 1506.27 1516.85 1519.77 1525.91 1536.00 1557.34 1567.67 1569.13 1578.15 1593.90 1596.74 1603.54 1617.40 1622.42 1630.19 1632.40 1652.08 1659.11 1681.51 1695.44 1703.48 1714.26 1719.14 1721.64 1742.60 1744.54 1748.48 1764.31 1768.41 1789.18 1813.08 1868.87 1871.32 1879.53 1879.67 1884.71 1908.82 1911.56 1917.42 1929.22 1936.27 1963.97 1980.48 1999.15 2017.76 2030.90 2059.73 2070.25 2085.34 2102.29 2110.99 2131.71 2151.17 2161.91 2175.75 2179.85 2183.70 2197.44 2220.40 2224.62 2240.23 2253.91 2256.00 2269.64 2274.36 2287.55 2306.86 2328.72 2337.16 2344.02 2350.43 2354.91 2355.43 2360.54 2361.54 2367.77 2371.03 2376.63 2380.65 2386.26 2389.19 2402.59 2553.26 2567.68 2572.21 2578.25 2595.74 2754.44 2810.39 4595.20 4618.54 4624.02 4628.55 4634.48 4638.69 4653.48 4696.64 4700.03 4704.04 4707.22 4724.10 4730.30 4745.08 4771.03 4784.36 4790.53 4796.41 4816.72 4818.89 4835.62 4837.77 4841.72 4848.40 4864.06 4866.25 4874.13 4882.63 4883.76 4897.56 4898.82 4912.02 4966.13 5324.47 0.633548 0.664883 0.665827 0.563462 -2225.259910 -2225.228574 -2225.227630 -2225.329996 3.433372D-04 MUNgauss RevisionA2.0 retrievium 16-Jan-2020 DUDE C[C@H]1CN(CCN1C(=O)CSc2ccccc2)C(=O)CC[NH+]3CCc4c(ccs4)[C@@H]3c5ccccc5 C35938605 RHF 6-31G(d) (6D,10F) C1 520.209246 |X|Y|Z| 63.962310 48.270548 172.599491 81.074067 33 6 7 16 28 3 2 |36.858105| |12.454305|36.858105| |8.943904|17.677782|0.500000| |7.469916|12.480043|0.250369|36.858105| |6.081140|7.717211|0.157376|13.021263|53.358707| |5.092059|6.558806|0.139335|7.836398|17.847607|36.858105| |6.053454|7.696844|0.158161|6.629981|10.599037|12.483804|36.858105| |7.641719|12.974951|0.258028|7.814505|9.219684|7.784058|13.143024|53.358707| |5.877340|7.853292|0.213350|5.235742|6.203334|5.153757|7.650525|18.872083|36.858105| |5.673986|7.095968|0.232441|4.729850|5.310357|4.083596|5.339796|11.562576|15.929386|73.516695| |4.191805|4.989204|0.132834|3.917699|5.091286|4.523455|6.558384|10.474195|12.522795|14.276313|36.858105| |3.287299|3.694933|0.105661|3.007428|3.822535|3.180420|4.051164|6.424949|6.943363|11.881009|10.472172|388.023441| |2.662549|2.921320|0.080822|2.518934|3.349464|2.847578|3.495341|4.981014|4.619197|7.476467|6.974245|75.726657|36.858105| |2.365085|2.639716|0.073302|2.360934|3.159285|2.697832|3.158273|4.420531|3.891272|6.323299|5.418816|49.004188|13.702251|36.858105| |2.065130|2.260878|0.062188|2.066605|2.814873|2.391894|2.724704|3.691764|3.099376|5.065592|4.059149|33.390917|7.913795|13.749842|36.858105| |1.988272|2.123008|0.057873|1.933162|2.658986|2.244356|2.572630|3.432094|2.848162|4.667273|3.675310|29.647825|6.850940|7.935078|13.747352|36.858105| |2.153086|2.258953|0.061306|2.014964|2.766281|2.325436|2.741265|3.670669|3.095508|5.072598|4.058380|33.391882|7.913892|6.874570|7.940182|13.747392|36.858105| |2.500011|2.636643|0.071867|2.284752|3.090993|2.603470|3.184149|4.384411|3.883604|6.336932|5.416948|49.006952|13.702482|7.935592|6.874512|7.935048|13.749882|36.858105| |4.909037|5.324069|0.119180|7.840676|19.289029|7.624878|5.265897|6.310518|3.476149|5.516895|2.982328|16.729691|2.112148|2.008105|1.824608|1.742086|1.806817|1.984443|36.858105| |4.647543|4.798202|0.113192|6.915654|11.534468|5.289522|4.138331|5.363358|3.090180|5.098073|2.630796|15.274772|1.917884|1.824641|1.662492|1.590296|1.649309|1.807241|15.823462|73.516695| |3.773397|3.937727|0.091447|4.971325|10.487191|6.466950|4.588098|5.137129|2.976254|4.686582|2.705045|15.330908|2.003356|1.921438|1.778586|1.714363|1.769917|1.910511|12.430342|14.407689|36.858105| |3.179639|3.184850|0.076917|3.890697|6.952664|4.289461|3.398440|4.047042|2.450846|3.978216|2.240365|13.174233|1.731291|1.665850|1.557534|1.510969|1.557805|1.666178|7.703912|13.051159|12.486137|36.858105| |2.619401|2.615955|0.064302|3.042819|5.214234|3.537677|2.917650|3.445864|2.149443|3.490750|2.023458|12.067129|1.619874|1.569359|1.488127|1.454265|1.492814|1.574860|4.960951|8.257168|7.563279|12.617409|53.358707| |2.661900|2.642843|0.064435|3.003738|5.224199|3.697613|3.089730|3.557829|2.220658|3.570367|2.116228|12.524966|1.695019|1.637050|1.557289|1.530196|1.575702|1.658489|4.760575|7.543999|7.491283|9.263816|25.718932|0.500000| |2.316098|2.385188|0.059600|2.792992|4.676323|3.278784|2.673829|3.187099|2.013139|3.274483|1.917568|11.535817|1.562884|1.535797|1.464611|1.422085|1.442257|1.510062|4.228347|7.030929|5.947089|7.670518|17.260198|0.258353|36.858105| |2.018024|2.063418|0.052053|2.336356|3.810310|2.777418|2.355279|2.808732|1.812051|2.953048|1.760327|10.724866|1.476926|1.458130|1.407859|1.376916|1.391559|1.440030|3.251669|5.403654|4.296899|4.981686|10.412904|0.203659|12.536319|36.858105| |1.899827|1.900531|0.048184|2.117518|3.381677|2.423248|2.116742|2.559790|1.666781|2.742756|1.614625|9.949122|1.367978|1.342216|1.298516|1.279262|1.300477|1.344381|2.886686|4.944538|3.661958|4.455299|9.247188|0.179548|7.771360|12.704878|36.858105| |2.004832|1.969297|0.049782|2.191292|3.488888|2.436720|2.144964|2.611634|1.693734|2.800813|1.622528|9.995691|1.361576|1.324861|1.274907|1.258679|1.288999|1.340704|3.040407|5.330182|3.818879|4.979822|10.440886|0.192054|6.823294|7.566846|14.138281|36.858105| |1.801409|1.751565|0.044718|1.914998|2.972897|2.081932|1.878658|2.319906|1.525940|2.545647|1.466695|9.160144|1.251258|1.216318|1.175424|1.166236|1.196030|1.239205|2.528903|4.499108|3.015748|3.739532|6.726124|0.130281|4.525671|5.064460|8.202570|13.222882|36.858105| |1.625353|1.594598|0.040966|1.732382|2.668510|1.900844|1.725304|2.133918|1.416770|2.364842|1.375097|8.649842|1.191784|1.165163|1.133344|1.125980|1.149131|1.182347|2.222851|3.916445|2.623530|3.105899|5.441958|0.108292|3.975816|4.827562|7.725849|8.253121|14.193523|36.858105| |1.628117|1.625192|0.041696|1.778028|2.766969|2.006503|1.797503|2.201632|1.459271|2.418663|1.427536|8.938846|1.240243|1.221835|1.192455|1.180420|1.196133|1.225792|2.289060|3.953270|2.757571|3.178309|5.736716|0.115747|4.662601|6.682272|11.035702|7.464272|7.448549|11.038389|388.023441| |2.350745|2.286909|0.057108|2.587995|4.201776|2.831900|2.453076|2.978663|1.897408|3.131179|1.787455|10.877516|1.461593|1.411853|1.345069|1.323413|1.362951|1.432585|3.848593|6.852168|4.982757|7.565683|16.936809|0.258192|7.563347|6.267754|7.537763|12.597404|7.335903|5.095111|33.673970|36.858105| |2.321640|2.265168|0.057059|2.595929|4.125723|2.710801|2.341539|2.900472|1.849889|3.080583|1.725831|10.569511|1.409890|1.363952|1.295203|1.268950|1.304618|1.374964|3.826558|7.164122|4.658486|7.335070|12.438681|0.183323|6.759293|5.303962|6.080939|8.891598|6.346667|4.572844|29.787162|17.590284|0.500000| |2.496137|2.345303|0.058237|2.580756|4.151701|2.790289|2.501687|3.040904|1.942757|3.213792|1.824933|11.111575|1.487965|1.421261|1.352006|1.340572|1.394889|1.471359|3.729901|6.654795|4.605357|6.267372|10.403997|0.206691|4.974344|4.439954|5.177644|7.521237|6.160927|4.384526|27.276539|12.546361|0.247530|36.858105| |2.578195|2.366365|0.059182|2.587133|4.029463|2.630210|2.399077|2.993663|1.920278|3.219642|1.778469|10.921093|1.445767|1.373743|1.300342|1.288594|1.346333|1.428342|3.611349|6.797352|4.077699|5.399269|7.429410|0.141988|3.933755|3.455761|3.893208|5.224381|4.817993|3.605974|22.111494|7.561775|0.204993|13.724808|36.858105| |2.596294|2.314790|0.058092|2.448687|3.731633|2.464470|2.327419|2.930768|1.902720|3.210295|1.764092|10.913775|1.442925|1.359833|1.287531|1.284602|1.352822|1.437494|3.206960|5.971721|3.471094|4.147924|5.564721|0.112691|3.129398|2.846928|3.154578|3.968132|3.874598|3.076049|18.918713|5.014592|0.133410|7.911038|13.730853|36.858105| |2.531722|2.249507|0.056247|2.327001|3.572190|2.436569|2.348874|2.915264|1.908118|3.197246|1.795338|11.102103|1.482515|1.391548|1.324191|1.332175|1.410118|1.492374|2.976666|5.319502|3.283232|3.699967|5.158067|0.110668|2.943320|2.772566|3.065445|3.740230|3.688511|3.019049|18.751005|4.431240|0.111014|6.850883|7.939169|13.769887|36.858105| |2.452359|2.229853|0.055398|2.320482|3.653286|2.560170|2.443348|2.956978|1.929144|3.189900|1.842334|11.298051|1.527624|1.440518|1.378472|1.389536|1.465913|1.541268|3.038954|5.245073|3.536826|3.942361|5.897240|0.134199|3.308503|3.208130|3.586085|4.363683|4.199687|3.435363|21.606241|5.011154|0.116444|7.912759|6.876165|7.937444|13.721950|36.858105| |2.433708|2.272615|0.056270|2.433458|3.923708|2.742323|2.522449|3.017293|1.945069|3.195551|1.856568|11.295239|1.529596|1.455778|1.393065|1.393494|1.456511|1.528692|3.368776|5.766978|4.173333|4.952424|8.253748|0.193807|4.299726|4.163466|4.804723|6.240396|5.496511|4.231275|26.790826|7.531199|0.155260|13.673308|7.936726|6.873203|7.936876|13.779046|36.858105| |17.560625|8.825771|0.215723|6.796710|7.269922|4.256170|4.620345|7.577707|4.597230|8.353847|3.443329|20.279080|2.343499|2.112085|1.863052|1.794598|1.928290|2.208657|4.691975|8.569073|3.560407|3.137641|3.485658|0.071044|2.261191|1.960334|1.863520|1.984703|1.794485|1.611937|11.377788|2.340274|0.065235|2.488505|2.633452|2.658600|2.533788|2.402378|2.380732|0.500000| |17.588450|8.839554|0.214857|5.474293|6.354336|4.286577|5.419108|9.518749|6.316326|11.512521|4.493430|25.783793|2.860016|2.478417|2.148953|2.084278|2.293819|2.708682|3.880728|6.543141|3.179858|2.732263|3.164741|0.066159|2.075866|1.843444|1.746614|1.835554|1.668477|1.517101|10.790749|2.115966|0.057777|2.259215|2.329525|2.384668|2.365392|2.290717|2.238970|0.301732|0.500000| |17.552755|8.712466|0.173424|6.727167|9.004291|5.527834|6.474295|9.202169|5.079119|8.202082|3.941704|21.653103|2.566362|2.288103|2.027186|1.972583|2.140157|2.454542|5.560405|8.998452|4.364263|3.610175|4.013147|0.084400|2.537690|2.202440|2.078176|2.210234|1.971758|1.764253|12.530573|2.627992|0.071134|2.845278|2.924327|2.960333|2.916165|2.835963|2.799782|0.301994|0.300588|0.500000| |5.493942|8.873244|0.224555|17.540822|12.477949|7.089290|5.837541|9.492786|5.070060|8.230810|3.890687|21.589260|2.546888|2.436052|2.121679|1.953995|2.007839|2.267866|6.252467|10.010116|4.381458|3.499091|3.834055|0.076829|2.680144|2.257675|2.025208|2.065263|1.808496|1.653469|12.192070|2.393911|0.066983|2.339374|2.323158|2.185160|2.081498|2.091507|2.208343|0.142359|0.123756|0.137193|0.500000| |7.022519|8.836996|0.209419|17.698991|12.499771|5.694720|4.955127|7.679500|4.231998|7.199589|3.272001|18.775396|2.233039|2.097845|1.857586|1.750705|1.825243|2.051559|7.663974|14.703729|4.745409|3.986245|4.153365|0.081927|2.772509|2.299314|2.113746|2.218094|1.948068|1.749061|12.615028|2.651039|0.075325|2.651692|2.725139|2.572134|2.390377|2.338415|2.447948|0.208847|0.142206|0.175030|0.301461|0.500000| |4.280046|5.752389|0.132772|7.043153|12.466070|17.531474|8.871924|9.414518|4.977138|7.101869|4.491212|22.857057|2.896173|2.821653|2.489257|2.287128|2.323511|2.586638|6.131040|8.212375|5.339611|3.790639|4.369544|0.091647|3.117299|2.663945|2.297943|2.274545|1.952336|1.803507|13.684485|2.590106|0.069620|2.497513|2.355457|2.196791|2.161243|2.267693|2.439397|0.102940|0.103309|0.121680|0.211293|0.144252|0.500000| |4.253971|4.916397|0.109635|5.652366|12.353318|17.643611|8.925325|7.702546|4.187045|6.057458|3.936170|20.364595|2.670278|2.549829|2.315069|2.202153|2.275442|2.497132|7.182695|8.789064|7.660235|4.756048|5.517989|0.122072|3.733343|3.170403|2.714240|2.700575|2.270948|2.072713|15.744649|3.132417|0.081264|3.064404|2.798339|2.594478|2.599079|2.805873|3.062628|0.101508|0.102458|0.133727|0.143858|0.127197|0.301966|0.500000| |4.623708|5.617186|0.128548|4.992319|7.722271|8.973371|17.664204|12.432765|7.209559|8.838410|7.761625|31.815965|4.053536|3.680256|3.154814|2.956147|3.134423|3.647961|4.236891|6.096796|3.956274|3.016047|3.661200|0.079834|2.520653|2.272277|2.032511|2.030826|1.787863|1.661330|12.424601|2.273013|0.059922|2.301293|2.182837|2.120926|2.164643|2.278719|2.352401|0.103086|0.122358|0.134426|0.132086|0.109396|0.220361|0.214842|0.500000| |6.499739|6.747326|0.139465|5.692799|9.362564|8.880745|17.510061|12.331868|6.293976|8.443970|5.581324|26.335302|3.259009|2.891403|2.545297|2.469243|2.682615|3.097768|5.164759|7.309515|4.670119|3.508870|4.122957|0.090620|2.691506|2.386003|2.177662|2.234648|1.963670|1.790863|13.126824|2.575563|0.067544|2.700548|2.594426|2.558176|2.623149|2.731393|2.770763|0.134562|0.164150|0.218729|0.132531|0.127683|0.174330|0.220064|0.302827|0.500000| |3.732405|4.594749|0.121389|3.891614|5.193120|4.850826|6.589431|9.491210|8.867332|10.957626|17.589222|56.242270|6.637738|5.906846|4.397447|3.807353|3.977660|4.990084|3.029888|4.691254|2.786151|2.283547|2.822633|0.060256|1.994413|1.832644|1.660973|1.652593|1.485269|1.398346|10.428200|1.811284|0.048518|1.824231|1.759844|1.725778|1.751669|1.814251|1.851737|0.087037|0.105991|0.099333|0.111311|0.089251|0.141932|0.117597|0.240653|0.146000|0.500000| |4.165654|4.602923|0.117288|3.664632|4.988649|4.482442|6.779739|9.287084|8.871931|11.078876|17.579613|56.262964|6.605178|4.965919|3.959739|3.791239|4.379668|5.882263|2.975852|4.631325|2.764064|2.285869|2.836179|0.061278|1.953881|1.806302|1.663896|1.675304|1.515929|1.420018|10.462073|1.844040|0.049014|1.903155|1.845842|1.844676|1.901877|1.963968|1.963044|0.094029|0.125598|0.113815|0.097753|0.086193|0.117806|0.112881|0.232156|0.176109|0.302404|0.500000| |2.382643|2.723030|0.076665|2.459712|3.247576|2.763972|3.172851|4.538708|3.992644|6.556921|5.325994|46.902291|8.918081|17.726040|8.911419|5.644147|4.953650|5.647036|2.052235|3.322166|1.945102|1.684020|2.146941|0.045416|1.553267|1.466276|1.343782|1.324585|1.212876|1.161302|8.678009|1.414189|0.038131|1.413911|1.368611|1.347196|1.368418|1.413160|1.436624|0.059424|0.068627|0.063360|0.071850|0.060504|0.082129|0.071583|0.101576|0.078900|0.169495|0.127266|0.500000| |1.907207|2.097711|0.057868|1.952717|2.664362|2.252774|2.497590|3.373316|2.771203|4.562923|3.482127|27.653562|5.637047|8.924837|17.718093|8.909237|5.645235|4.952905|1.740404|2.828138|1.704200|1.500232|1.959824|0.041721|1.430108|1.379735|1.269289|1.240099|1.143927|1.107445|8.321740|1.301668|0.034880|1.299517|1.247375|1.229515|1.260525|1.314015|1.334803|0.048218|0.054564|0.052036|0.056181|0.048978|0.065901|0.060834|0.079555|0.064502|0.106774|0.093212|0.215158|0.500000| |1.802624|1.910874|0.052007|1.763206|2.440401|2.044776|2.297760|3.038014|2.467128|4.070197|3.068956|24.000759|4.940621|5.644551|8.913388|17.718327|8.913443|5.644554|1.618292|2.636170|1.607261|1.428503|1.887500|0.040547|1.361971|1.329340|1.237990|1.214053|1.129134|1.095457|8.180677|1.267487|0.033726|1.281767|1.229221|1.225105|1.272967|1.331343|1.335651|0.045563|0.052177|0.049955|0.049484|0.044685|0.057851|0.056315|0.072530|0.061718|0.088569|0.088243|0.124115|0.214790|0.500000| |2.034623|2.094971|0.056618|1.876925|2.592208|2.156367|2.520357|3.344814|2.766279|4.572010|3.481245|27.654348|5.637070|4.952927|5.645256|8.909354|17.717997|8.924768|1.713201|2.791902|1.690704|1.500660|1.970126|0.042546|1.393689|1.352791|1.272550|1.263415|1.178309|1.134015|8.365816|1.330863|0.035307|1.369366|1.322093|1.335704|1.400854|1.457263|1.438581|0.050900|0.060316|0.056642|0.051537|0.047633|0.059215|0.059202|0.078805|0.069863|0.093582|0.106435|0.107539|0.124086|0.214796|0.500000| |2.645979|2.717069|0.073831|2.313324|3.119568|2.591609|3.219884|4.470098|3.978014|6.584009|5.322898|46.906880|8.918228|5.647041|4.953614|5.644109|8.911326|17.725972|2.008092|3.263933|1.925134|1.684628|2.160493|0.046485|1.506975|1.434096|1.347648|1.353079|1.254041|1.192014|8.727968|1.451814|0.038690|1.505143|1.469055|1.490544|1.553439|1.595956|1.568337|0.064672|0.081275|0.072254|0.062831|0.058025|0.070165|0.068967|0.100030|0.089369|0.127777|0.169150|0.124233|0.107538|0.124115|0.215153|0.500000| |3.893492|3.916160|0.089735|4.574198|9.413439|6.547625|4.988814|5.298658|3.079003|4.782269|2.844422|15.932698|2.099220|1.992842|1.850115|1.801413|1.876717|2.026219|8.821695|11.034317|17.540950|8.840088|9.345452|0.219993|5.181207|4.098325|3.585431|3.756354|3.009669|2.623470|19.476975|4.797015|0.118534|4.791218|4.143653|3.652947|3.607609|4.007285|4.668532|0.099198|0.092544|0.130494|0.110197|0.118418|0.141771|0.235724|0.119835|0.150522|0.080648|0.082810|0.055387|0.048888|0.046873|0.050034|0.057068|0.500000| |3.348058|3.650760|0.086487|4.604898|9.357504|6.629470|4.471980|4.957506|2.911301|4.550983|2.704298|15.324496|2.028609|1.974529|1.835379|1.756106|1.791950|1.920718|8.849037|11.103999|17.565733|8.745234|9.311056|0.189947|6.460612|4.642872|3.704519|3.658418|2.880211|2.571822|19.911644|4.462042|0.115998|3.932716|3.436814|2.955907|2.837997|3.095662|3.653094|0.087088|0.080076|0.103807|0.120105|0.118247|0.164900|0.230844|0.111656|0.120363|0.079267|0.076079|0.055845|0.049203|0.045832|0.047319|0.053137|0.302501|0.500000| |2.976428|3.044578|0.075064|3.813599|6.469460|3.917926|3.099337|3.811319|2.329848|3.827872|2.118458|12.610491|1.651243|1.600074|1.494831|1.441388|1.477128|1.578404|7.019775|13.442865|8.778450|17.672436|12.367950|0.182681|7.494000|4.728756|4.200833|4.598591|3.533879|2.978435|21.776870|6.516237|0.201739|5.123437|4.711426|3.655505|3.200183|3.317229|4.036874|0.083147|0.071142|0.090828|0.097927|0.111397|0.100299|0.115799|0.076906|0.086548|0.060238|0.059202|0.045260|0.040206|0.037896|0.039421|0.044152|0.172914|0.207587|0.500000| |3.353545|3.210584|0.077481|3.816141|6.545265|3.942069|3.286547|3.987746|2.427838|3.981957|2.197922|13.011785|1.697976|1.618593|1.510810|1.473857|1.531588|1.644233|7.055844|13.246532|8.896965|17.735652|12.326404|0.209419|5.661411|4.158323|4.015161|4.753368|3.748488|3.042925|21.156713|7.541840|0.208908|7.486406|7.090402|5.225156|4.417495|4.503676|5.523557|0.093640|0.079770|0.107647|0.092805|0.111786|0.095202|0.117841|0.080138|0.096843|0.061253|0.062635|0.045258|0.040242|0.038673|0.041158|0.046573|0.214230|0.173252|0.303451|0.500000| |2.441648|2.577888|0.064114|3.073003|5.267688|3.769928|2.959739|3.484058|2.178816|3.510430|2.077864|12.359395|1.673784|1.652946|1.570633|1.513972|1.528562|1.604087|4.708171|7.479755|6.806162|7.371149|12.344094|0.217253|17.654312|8.805561|5.599996|4.964503|3.617792|3.277212|27.289428|5.553517|0.142953|4.152854|3.433772|2.831429|2.693390|2.998843|3.737957|0.065518|0.060484|0.073932|0.083043|0.083124|0.101272|0.121172|0.077747|0.081109|0.060735|0.058480|0.046659|0.042667|0.040150|0.040777|0.044221|0.156973|0.238424|0.203322|0.146111|0.500000| |2.212026|2.277848|0.057595|2.686641|4.359953|2.974884|2.449737|2.993393|1.902618|3.130644|1.797678|10.934116|1.472753|1.449439|1.380138|1.336597|1.353702|1.418887|3.960838|6.945909|5.093171|6.913027|12.447063|0.182184|17.626242|8.821375|6.882601|6.449003|4.489694|3.928296|31.673985|7.135620|0.207626|4.624324|3.864447|3.039512|2.780024|3.024020|3.826675|0.060897|0.055040|0.066464|0.072149|0.075571|0.079590|0.090851|0.063866|0.068058|0.051763|0.050473|0.040888|0.037523|0.035576|0.036323|0.039351|0.120355|0.148712|0.220037|0.148914|0.301455|0.500000| |2.046435|2.096499|0.052627|2.344347|3.862429|2.907426|2.479704|2.905640|1.877423|3.033250|1.846367|11.183620|1.554482|1.535815|1.489250|1.461354|1.476140|1.521437|3.215964|5.196429|4.305974|4.603216|9.107591|0.206724|8.825236|17.521509|8.858637|6.072015|4.403259|4.285936|41.480228|5.301708|0.122110|4.154095|3.230857|2.743717|2.751698|3.256765|4.172725|0.054546|0.052207|0.062359|0.062876|0.063103|0.077180|0.094385|0.067292|0.070036|0.053619|0.053024|0.042709|0.040504|0.039243|0.039902|0.042006|0.119392|0.131709|0.116459|0.108058|0.216671|0.173254|0.500000| |1.866250|1.928366|0.049146|2.184028|3.494718|2.560621|2.178772|2.630097|1.711861|2.802195|1.669244|10.259636|1.417783|1.410728|1.366647|1.331559|1.336446|1.377560|2.926075|4.911116|3.690648|4.142326|7.607984|0.146084|8.973986|17.575414|8.876034|5.755411|4.324932|4.367954|44.980689|4.831554|0.122675|3.601435|2.951002|2.479246|2.404758|2.718545|3.377848|0.050497|0.047566|0.055843|0.059520|0.059708|0.069700|0.079879|0.058863|0.060515|0.048522|0.047245|0.039565|0.037427|0.035817|0.036031|0.037928|0.096305|0.113217|0.114902|0.097375|0.209319|0.218373|0.303977|0.500000| |1.802048|1.730983|0.044295|1.879952|2.886795|2.000699|1.825159|2.273696|1.499541|2.515691|1.434128|8.994234|1.223001|1.183655|1.141575|1.134742|1.168403|1.213657|2.453271|4.430857|2.853369|3.538200|5.967823|0.115551|3.854771|4.046529|5.715152|8.555208|17.761222|8.924534|37.683011|6.584587|0.168758|6.416660|5.444939|4.417068|4.102486|4.477649|5.568987|0.050237|0.046457|0.054802|0.049031|0.053561|0.051879|0.059981|0.048004|0.053294|0.040081|0.041195|0.032753|0.030790|0.030487|0.032033|0.034259|0.079429|0.074309|0.093008|0.102571|0.088323|0.107801|0.100541|0.098036|0.500000| |1.502593|1.470412|0.037991|1.583984|2.410782|1.721551|1.580281|1.969000|1.317780|2.209654|1.282444|8.133059|1.123240|1.098662|1.071800|1.067490|1.089258|1.117499|1.983858|3.509780|2.292969|2.659637|4.457621|0.089402|3.253726|3.835550|5.428302|5.692536|8.787542|17.790678|55.400971|4.035793|0.103992|3.678531|3.174127|2.804895|2.776001|3.096802|3.621368|0.041480|0.039209|0.045071|0.042098|0.044466|0.045532|0.051738|0.042417|0.045552|0.036145|0.036779|0.030382|0.029120|0.028925|0.029940|0.031316|0.063911|0.062450|0.071347|0.073186|0.076977|0.090097|0.097535|0.099807|0.204093|0.500000| |2.532982|2.347321|0.059238|2.608306|3.992922|2.554948|2.306938|2.925691|1.876812|3.170636|1.724335|10.640851|1.400720|1.335703|1.261154|1.243243|1.294101|1.375056|3.626013|7.141941|3.949127|5.403198|7.025214|0.126616|3.894075|3.328746|3.699985|4.877212|4.504019|3.421864|21.137885|7.007894|0.227372|8.894028|17.701743|8.930876|5.652013|4.952477|5.637105|0.073092|0.063167|0.078375|0.065435|0.077773|0.064316|0.074312|0.058127|0.068202|0.047488|0.049215|0.037161|0.033699|0.032925|0.035185|0.039181|0.106268|0.093241|0.140866|0.196328|0.094545|0.111386|0.084471|0.080640|0.140846|0.084209|0.500000| |2.563701|2.260725|0.057352|2.372684|3.519184|2.302743|2.198023|2.824668|1.848410|3.155247|1.701692|10.630500|1.396413|1.313583|1.240945|1.237175|1.304584|1.389828|2.983859|5.688742|3.094664|3.620920|4.700467|0.093770|2.751704|2.498853|2.732815|3.344026|3.318683|2.710131|16.765017|4.094055|0.114322|5.638985|8.923644|17.734826|8.915263|5.643530|4.953512|0.074334|0.065751|0.079991|0.058849|0.070174|0.057415|0.066129|0.055534|0.066732|0.045994|0.049175|0.036202|0.032910|0.032751|0.035785|0.040134|0.088854|0.073905|0.091854|0.124791|0.070165|0.075594|0.066705|0.061644|0.105131|0.069900|0.216080|0.500000| |2.455962|2.155458|0.054295|2.184681|3.289245|2.262368|2.230294|2.799950|1.857181|3.133234|1.752438|10.945695|1.462066|1.365628|1.301013|1.315656|1.400060|1.481634|2.671026|4.772753|2.864778|3.117746|4.275486|0.091687|2.533161|2.410130|2.630554|3.105860|3.114371|2.641017|16.555388|3.545275|0.090916|4.941646|5.646671|8.923924|17.731991|8.909534|5.648127|0.068372|0.064828|0.078011|0.054383|0.062240|0.055965|0.066296|0.057373|0.069448|0.047139|0.051751|0.037165|0.034316|0.034944|0.038823|0.043095|0.087344|0.069750|0.076427|0.101031|0.065448|0.066835|0.066957|0.059041|0.095633|0.068865|0.124304|0.214848|0.500000| |2.329360|2.123473|0.052924|2.173690|3.401049|2.443579|2.377248|2.864248|1.890618|3.118920|1.830886|11.278417|1.540582|1.450207|1.395910|1.417907|1.500692|1.568859|2.750081|4.675516|3.174568|3.380447|5.060311|0.117313|2.972974|2.965460|3.268663|3.781196|3.697099|3.180035|20.411135|4.088057|0.096299|5.636589|4.954764|5.646364|8.903657|17.730902|8.936600|0.062678|0.061359|0.074499|0.054764|0.060131|0.060357|0.074643|0.062463|0.074177|0.050016|0.054689|0.039280|0.036898|0.037853|0.041697|0.045222|0.101130|0.079012|0.080133|0.103362|0.076194|0.074997|0.085697|0.070652|0.107069|0.081117|0.107535|0.124090|0.214774|0.500000| 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