Version2.0 2020-02-02T19:41:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCC[n+]1c(csc1Nc2ccc(cc2)OC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C39834663 RHF 6-31G(d) (6D,7F) CCCCCC[n+]1c(csc1Nc2ccc(cc2)OC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C01[X(C28H38N3O3S2)] 216 C1 624 CCCCCC[n+]1c(scc1c1ccc(cc1)S(=O)(=O)N1CCCCCC1)Nc1ccc(cc1)OC CCCCCC[n+]1c(scc1c1ccc(cc1)S(=O)(=O)N1CCCCCC1)Nc1ccc(cc1)OC CCCCCC[n+]1c(Nc2ccc(OC)cc2)scc1c3ccc(cc3)[S](=O)(=O)N4CCCCCC4 InChIKey=XQUQCRSAWGNIQD-UHFFFAOYSA-O InChI=1S/C28H37N3O3S2/c1-3-4-5-10-21-31-27(22-35-28(31)29-24-13-15-25(34-2)16-14-24)23-11-17-26(18-12-23)36(32,33)30-19-8-6-7-9-20-30/h11-18,22H,3-10,19-21H2,1-2H3/p+1 InChI=1/C28H37N3O3S2/c1-3-4-5-10-21-31-27(22-35-28(31)29-24-13-15-25(34-2)16-14-24)23-11-17-26(18-12-23)36(32,33)30-19-8-6-7-9-20-30/h11-18,22H,3-10,19-21H2,1-2H3/p+1/fC28H38N3O3S2/h29H/q+1 CCCCCC[n+]1c(csc1Nc2ccc(cc2)OC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C01[X(C28H38N3O3S2)] 216 C01 624 CCCCCC[n+]1c(scc1c1ccc(cc1)S(=O)(=O)N1CCCCCC1)Nc1ccc(cc1)OC CCCCCCN1[C@H](SC=C1c1ccc(cc1)S(=O)(=O)N1CCCCCC1)Nc1ccc(cc1)OC CCCCCCN1[C@@H](Nc2ccc(OC)cc2)SC=C1c3ccc(cc3)[S](=O)(=O)N4CCCCCC4 InChIKey=UIFPRSSVGBNEQN-MUUNZHRXSA-N InChI=1S/C28H39N3O3S2/c1-3-4-5-10-21-31-27(22-35-28(31)29-24-13-15-25(34-2)16-14-24)23-11-17-26(18-12-23)36(32,33)30-19-8-6-7-9-20-30/h11-18,22,28-29H,3-10,19-21H2,1-2H3/t28-/m1/s1 InChI=1/C28H39N3O3S2/c1-3-4-5-10-21-31-27(22-35-28(31)29-24-13-15-25(34-2)16-14-24)23-11-17-26(18-12-23)36(32,33)30-19-8-6-7-9-20-30/h11-18,22,28-29H,3-10,19-21H2,1-2H3/t28-/m1/s1 4148.7296046954 -2265.1214868 1-A 35720.3784 141 483 624 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.28148 -92.13438 -20.68781 -20.62264 -20.62248 -15.79388 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1654.3497 1657.4839 1660.9213 1671.5305 1674.1858 1696.1327 1737.6334 1758.1823 1769.7922 1802.0166 1807.1543 1841.3628 3184.6381 3185.0514 3186.8566 3196.5388 3201.1852 3203.4082 3203.7515 3205.1551 3208.7720 3211.9022 3220.8891 3223.1018 3227.9227 3237.3566 3239.6562 3248.5083 3251.9200 3254.0821 3259.1258 3265.4141 3268.1046 3269.3442 3276.1454 3293.7633 3298.2334 3314.8682 3354.3309 3355.5948 3375.7605 3378.9356 3380.4041 3380.9439 3411.3349 3419.3308 3420.1027 3421.5569 3466.6983 3849.5703 3.8481 4.5139 4.7391 4.5024 5.9663 3.7263 4.9900 2.3292 2.6641 3.6627 4.5833 4.2857 4.8678 3.5868 3.8320 5.6032 2.8668 1.6976 4.8798 2.3578 2.6528 4.6045 4.3127 6.0977 6.2001 3.6578 2.7034 1.1269 1.3587 3.6665 3.3586 4.2313 2.3312 4.4126 3.8244 5.2834 5.6215 3.7130 3.3163 3.8252 3.5906 3.1498 2.9399 2.5514 3.2397 4.4016 4.4632 1.6257 3.2627 2.7238 4.0331 3.1305 3.2225 3.7909 4.4051 3.2019 10.0855 5.3112 4.2662 6.3434 6.6101 4.7548 3.7517 6.2394 1.4802 2.0360 1.7586 1.7266 1.5602 2.6675 3.8780 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69.76 74.62 78.09 105.50 109.04 126.11 137.96 168.46 188.65 198.81 212.04 229.04 241.85 257.36 283.34 293.88 308.14 352.72 373.25 378.31 380.72 415.76 421.57 441.91 456.58 477.55 491.54 527.85 542.46 575.27 597.13 614.63 618.08 625.50 650.06 669.60 673.27 691.01 698.49 717.72 726.96 755.69 769.42 824.69 827.96 863.33 879.66 927.39 934.33 958.64 975.74 1003.97 1014.63 1048.57 1083.37 1116.27 1127.83 1129.06 1149.92 1154.33 1169.57 1178.37 1196.26 1206.10 1236.17 1276.78 1290.96 1307.80 1321.34 1334.13 1351.23 1365.85 1382.59 1386.36 1388.23 1392.48 1417.18 1441.97 1482.81 1533.61 1552.05 1554.88 1561.16 1579.81 1582.16 1584.78 1594.00 1595.70 1608.02 1610.43 1613.25 1618.20 1626.14 1641.18 1647.42 1677.03 1716.13 1724.83 1740.02 1747.82 1750.45 1764.72 1778.10 1820.73 1845.00 1854.29 1856.01 1859.03 1880.73 1884.33 1886.98 1906.57 1908.93 1919.04 1929.74 1946.90 1972.09 1983.11 2002.17 2005.31 2042.34 2056.44 2069.01 2086.83 2087.70 2090.00 2090.43 2099.54 2103.21 2120.20 2122.46 2153.55 2169.94 2174.96 2195.86 2203.28 2207.75 2222.25 2226.15 2229.44 2234.66 2247.10 2255.81 2259.26 2277.23 2289.83 2344.37 2345.90 2349.37 2351.08 2352.38 2359.57 2361.45 2364.00 2365.28 2374.59 2375.92 2377.55 2380.24 2384.75 2389.70 2404.96 2408.78 2440.36 2500.07 2529.63 2546.34 2592.70 2600.09 2649.31 4581.98 4582.58 4585.18 4599.11 4605.79 4608.99 4609.48 4611.50 4616.71 4621.21 4634.14 4637.32 4644.26 4657.83 4661.14 4673.88 4678.79 4681.90 4689.16 4698.20 4702.07 4703.86 4713.64 4738.99 4745.42 4769.36 4826.13 4827.95 4856.97 4861.53 4863.65 4864.42 4908.15 4919.65 4920.76 4922.86 4987.81 5538.67 0.675802 0.709947 0.710891 0.601685 -2264.445685 -2264.411540 -2264.410596 -2264.519801 3.662754D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CCCCCC[n+]1c(csc1Nc2ccc(cc2)OC)c3ccc(cc3)S(=O)(=O)N4CCCCCC4 C39834663 RHF 6-31G(d) (6D,10F) C1 528.235461 |X|Y|Z| 170.266999 74.920153 33.412277 75.256683 26 6 7 16 21 3 2 |36.858105| |12.468291|36.858105| |7.480869|12.451453|36.858105| |4.865726|7.467243|12.448844|36.858105| |3.739270|4.863020|7.476177|12.439220|36.858105| |2.972092|3.750086|4.883298|7.533179|12.465477|36.858105| |2.505666|2.986727|3.767476|4.937475|7.592318|12.872643|53.358707| |2.263921|2.631274|3.225143|3.978701|5.518762|7.454621|18.282144|36.858105| |2.006602|2.272523|2.727815|3.205202|4.224085|5.173378|11.374146|14.380140|36.858105| |1.964609|2.210555|2.648050|3.073735|4.023362|4.788536|10.186242|7.439371|10.914789|388.023441| |2.317181|2.695469|3.335121|4.115898|5.843985|7.724520|19.579411|8.317012|7.792388|78.528139|36.858105| |2.383325|2.772217|3.398896|4.138241|5.518561|6.584561|11.052486|5.353123|5.084197|50.593401|14.422738|53.358707| |2.112797|2.382842|2.820132|3.234435|3.977360|4.397388|7.057095|4.043998|4.172925|44.288167|7.823035|18.010069|36.858105| |1.883057|2.113204|2.421650|2.771560|3.247203|3.695869|5.775595|3.501747|3.665232|37.032682|5.785441|10.580213|13.682640|36.858105| |1.707266|1.879144|2.115522|2.348647|2.676316|2.930971|4.473102|2.853621|3.033732|29.308297|4.191774|6.992745|7.959163|13.873886|36.858105| |1.697001|1.838906|2.073539|2.242879|2.550922|2.682081|4.064691|2.629766|2.809343|26.807084|3.751643|6.156390|6.871718|7.924306|13.619454|36.858105| |1.859650|2.008803|2.307855|2.468260|2.862422|2.917196|4.443479|2.836783|3.017840|29.181342|4.167976|6.975971|7.935517|6.852558|7.899224|13.701406|36.858105| |2.095839|2.305939|2.727809|2.980865|3.607697|3.680802|5.735093|3.481296|3.647916|36.933660|5.756766|10.614716|13.801090|7.929371|6.880201|7.936420|13.741804|36.858105| |1.536259|1.644853|1.824617|1.946285|2.167833|2.260121|3.371852|2.239037|2.391858|21.772273|2.985266|4.680982|4.646184|5.323954|8.245459|14.313546|7.902743|5.220659|73.516695| |1.489612|1.572555|1.737202|1.817314|2.009003|2.046582|3.024855|2.034066|2.167767|19.204229|2.621165|4.027570|3.792779|3.984174|5.251583|8.001711|6.703476|4.507640|24.046942|36.858105| |2.301188|2.681065|3.225142|3.948878|5.057487|6.327904|10.239015|12.798580|7.581876|33.705046|5.174773|5.331977|3.114831|2.786025|2.349007|2.187233|2.335549|2.770126|3.392280|1.757452|36.858105| |2.150282|2.513685|2.900295|3.567225|4.181203|5.375249|7.784255|7.631587|5.562755|27.768487|4.246373|4.640460|2.780603|2.585210|2.197079|2.017530|2.106257|2.445905|3.164887|1.632181|13.697558|36.858105| |2.101730|2.430386|2.722539|3.235138|3.554508|4.178874|5.648341|5.056227|4.072163|21.794802|3.279832|3.769886|2.328089|2.183261|1.897652|1.762877|1.836470|2.095288|2.805216|1.461963|7.923880|13.769641|36.858105| |2.185355|2.488394|2.790667|3.190631|3.469648|3.770705|5.051101|4.478127|3.697072|20.027604|2.984386|3.470678|2.164907|2.003477|1.761609|1.664001|1.752972|1.994028|2.659815|1.402160|6.888279|7.957917|13.733961|36.858105| |2.342016|2.647187|3.071199|3.447855|3.912875|4.047681|5.554109|5.059120|4.133321|21.902381|3.251528|3.726125|2.308270|2.089857|1.834897|1.753419|1.876307|2.155195|2.787737|1.477791|7.924990|6.859057|7.904986|13.750690|36.858105| |2.409804|2.756158|3.333855|3.859855|4.803575|5.107579|7.547709|7.646294|5.723294|27.999603|4.187294|4.561289|2.747822|2.434734|2.101817|2.003780|2.167337|2.543212|3.140384|1.654506|13.714796|7.917186|6.858212|7.957618|13.754694|36.858105| |2.025255|2.251797|2.420050|2.654815|2.738662|2.867544|3.770550|3.153690|2.754763|15.850534|2.338147|2.818991|1.805619|1.692748|1.515304|1.440976|1.508659|1.685767|2.334103|1.240099|4.184852|4.716376|6.926325|10.661964|6.927936|4.715381|388.023441| |2.176291|2.381378|2.543723|2.696928|2.736325|2.735929|3.549362|2.902526|2.547053|14.954682|2.220705|2.709109|1.741406|1.617064|1.454834|1.397904|1.475856|1.648124|2.267996|1.214087|3.721300|3.866385|5.004826|7.411532|6.536470|4.453077|94.799813|73.516695| |1.970201|2.210626|2.324582|2.583561|2.597454|2.774195|3.573354|2.902509|2.533417|14.923376|2.229636|2.725469|1.749813|1.660519|1.486535|1.402750|1.455381|1.619624|2.277630|1.204913|3.722146|4.458449|6.548198|7.413536|5.002915|3.865051|94.803167|13.567928|73.516695| |1.748603|1.909242|2.049965|2.219917|2.328415|2.449754|3.343464|2.842391|2.597898|14.964099|2.130338|2.567067|1.674583|1.583834|1.432724|1.366436|1.423342|1.573106|2.229338|1.187935|3.620225|4.007313|5.385379|6.978803|5.392829|4.008899|83.959158|13.711599|13.747019|53.358707| |1.682160|1.804799|1.942059|2.056737|2.169962|2.230802|3.082723|2.616355|2.448948|14.246812|1.996881|2.415570|1.592302|1.499236|1.367278|1.317128|1.378749|1.516052|2.157603|1.158352|3.223502|3.344458|4.102191|5.268627|4.842405|3.708707|50.384752|11.807280|8.912991|17.647527|36.858105| |1.577985|1.670084|1.764174|1.838384|1.901832|1.931097|2.635513|2.175614|2.050406|12.298807|1.732427|2.131659|1.419616|1.343142|1.235204|1.194703|1.247455|1.360247|1.970455|1.062955|2.588466|2.681906|3.198613|3.880387|3.619703|2.914658|37.635830|9.764912|7.575899|10.337844|12.487002|36.858105| |1.440697|1.526642|1.596834|1.673418|1.719901|1.767973|2.411393|1.973238|1.872769|11.371022|1.598450|1.979860|1.327300|1.268937|1.171679|1.128864|1.169288|1.267087|1.870354|1.007185|2.311176|2.453629|2.913789|3.327673|3.001013|2.504331|31.615035|7.549595|7.132803|8.561421|7.360528|12.414458|36.858105| |1.476023|1.578345|1.637116|1.732376|1.760040|1.826748|2.458746|1.994416|1.868395|11.373220|1.619776|2.012776|1.343159|1.289653|1.186449|1.135969|1.171994|1.272416|1.879467|1.007599|2.351447|2.571369|3.130767|3.486936|2.994774|2.493965|35.004081|7.855803|8.759950|8.870018|5.912705|7.393007|12.390294|36.858105| |1.490871|1.615383|1.688114|1.819985|1.864823|1.978599|2.678964|2.195685|2.051329|12.342212|1.754243|2.163409|1.437324|1.387073|1.269485|1.205852|1.238403|1.348285|1.989168|1.059605|2.618772|2.970906|3.716447|3.957361|3.226160|2.701678|38.763340|7.674636|10.457446|10.241695|5.652263|5.594668|7.297209|12.406164|36.858105| |1.582773|1.728816|1.840646|2.007117|2.099985|2.253027|3.098973|2.615602|2.434915|14.212464|2.003373|2.427582|1.598795|1.533830|1.393517|1.321059|1.361816|1.493641|2.165631|1.150159|3.223474|3.708239|4.840239|5.273368|4.107632|3.345738|50.533796|8.918160|11.905565|17.661412|7.583522|5.913320|6.282495|7.342509|12.428148|36.858105| |17.566447|8.789335|5.461938|4.042500|3.168238|2.631263|3.048600|2.041864|1.823117|12.698296|2.082269|2.918453|1.923315|1.740091|1.589440|1.575970|1.708521|1.901638|2.556921|1.395817|2.086085|1.982444|1.957436|2.027407|2.136930|2.169654|13.610473|3.649957|3.349587|2.258544|1.593891|1.510004|1.389033|1.429699|1.439201|1.512353|0.500000| |17.543592|8.774526|6.775525|4.497336|3.626411|2.874621|3.354342|2.271439|2.016142|13.843105|2.262525|3.110556|2.026410|1.802592|1.637776|1.633361|1.794488|2.020152|2.634003|1.441983|2.340248|2.169572|2.141954|2.270951|2.466678|2.508974|15.077381|4.128756|3.616048|2.487433|1.774121|1.667961|1.508714|1.536135|1.539155|1.636431|0.301930|0.500000| |17.539970|8.771893|6.774422|4.495877|3.624994|2.871605|3.352237|2.206632|1.980123|14.042960|2.325724|3.308661|2.183232|1.933612|1.763820|1.771394|1.957588|2.199861|2.851860|1.565146|2.197342|2.035878|1.965674|2.030597|2.188482|2.286675|13.285185|3.539773|3.219638|2.226258|1.582600|1.483119|1.357083|1.382824|1.399229|1.488634|0.301872|0.301525|0.500000| |8.861176|17.520962|8.861452|6.872276|4.537756|3.671888|3.962107|2.617853|2.241618|15.182387|2.576574|3.533415|2.225267|1.998981|1.776815|1.724747|1.864211|2.128789|2.753809|1.476264|2.747251|2.626720|2.595506|2.674267|2.798645|2.838193|17.461639|4.647266|4.329772|2.782516|1.914131|1.775560|1.622887|1.692503|1.729925|1.842983|0.213037|0.210784|0.172935|0.500000| |8.859646|17.514425|8.857593|6.867810|4.534762|3.665743|3.958577|2.520643|2.192698|15.444358|2.670229|3.829551|2.436183|2.180729|1.939724|1.888203|2.047347|2.340248|3.003416|1.608010|2.525116|2.400617|2.300469|2.305922|2.412759|2.529483|14.846908|3.855173|3.696840|2.432584|1.681063|1.558612|1.439574|1.494899|1.539209|1.640385|0.213041|0.172944|0.210650|0.303869|0.500000| |6.879951|8.854597|17.499964|8.851192|6.875917|4.544766|5.001217|3.098154|2.686741|19.185511|3.401516|4.879397|3.023101|2.550664|2.239526|2.227020|2.521300|2.997608|3.468542|1.868730|2.984085|2.655998|2.459415|2.502894|2.767203|3.056971|15.455892|4.035071|3.701455|2.560513|1.799642|1.639125|1.488844|1.516160|1.562580|1.702769|0.140600|0.169166|0.204013|0.173740|0.211720|0.500000| |6.880585|8.857218|17.509627|8.860097|6.883989|4.556090|5.007645|3.283938|2.777966|18.687093|3.213378|4.305995|2.645067|2.271907|1.998298|1.971044|2.200206|2.586838|3.098485|1.669952|3.371694|2.972785|2.830955|2.996623|3.400611|3.654907|18.479732|4.973815|4.338011|2.979202|2.095205|1.897647|1.694660|1.723761|1.763523|1.933031|0.140614|0.204047|0.169163|0.211884|0.173732|0.303633|0.500000| |4.537667|6.864842|8.855022|17.518676|8.856780|6.951869|6.282978|3.933271|3.120585|20.479969|3.726140|4.915539|2.869726|2.527578|2.157311|2.044445|2.213580|2.624748|3.187020|1.673003|4.170843|3.915031|3.659489|3.614759|3.805387|4.096557|21.394302|5.423449|5.271027|3.322552|2.223539|1.982311|1.802918|1.887040|1.988950|2.192578|0.108716|0.119722|0.111286|0.207369|0.171160|0.173650|0.211915|0.500000| |4.537193|6.866517|8.851956|17.500479|8.838063|6.915195|6.270208|3.624913|2.992490|21.137713|4.028363|5.826058|3.372121|2.929821|2.470510|2.334249|2.540880|3.056193|3.593659|1.872691|3.496035|3.265006|2.946672|2.830988|2.972403|3.301238|17.045402|4.264506|4.232754|2.768957|1.879006|1.692762|1.560712|1.623859|1.713182|1.872421|0.108719|0.111301|0.119644|0.171342|0.207323|0.211543|0.173696|0.303632|0.500000| |3.651194|4.528307|6.856278|8.827289|17.519713|8.819165|9.427284|4.956162|4.083476|29.958268|6.241182|8.787540|4.623384|3.583443|2.943865|2.856256|3.306021|4.318038|4.250252|2.221599|4.260229|3.537731|3.023471|2.959821|3.337774|4.074333|17.041083|4.273727|4.039216|2.845144|1.977238|1.748278|1.587539|1.612669|1.700141|1.902617|0.085556|0.097333|0.102745|0.111955|0.120336|0.206987|0.171238|0.173493|0.210868|0.500000| |3.650026|4.527833|6.849792|8.832732|17.555644|8.902260|9.464674|5.842187|4.424357|28.145667|5.261402|6.338068|3.528342|2.912269|2.451166|2.367590|2.664611|3.299463|3.617544|1.907140|5.698254|4.415529|3.811617|3.895378|4.677356|5.958672|21.388481|5.441780|4.912862|3.456642|2.391129|2.072760|1.844567|1.869777|1.969067|2.241853|0.085546|0.102743|0.097249|0.120447|0.111897|0.170828|0.206943|0.211678|0.173386|0.303824|0.500000| |2.883670|3.648231|4.533858|6.850154|8.830952|17.687460|12.551831|7.248752|4.878217|29.609925|5.823882|6.701180|3.595060|3.170730|2.583551|2.362773|2.523701|3.070558|3.609978|1.848544|7.464382|6.888620|5.252764|4.548130|4.688418|5.747198|23.705881|5.531389|5.800035|3.760542|2.454588|2.103931|1.925570|2.012589|2.203279|2.529446|0.071846|0.078275|0.075668|0.103704|0.097908|0.111935|0.120851|0.207437|0.170170|0.173304|0.213521|0.500000| |2.876802|3.643966|4.515777|6.848489|8.744333|17.591227|12.454306|5.729132|4.420970|31.589257|7.200822|9.762960|4.746993|4.094424|3.174834|2.836232|3.028887|3.808397|4.223758|2.122046|4.877912|4.522378|3.632404|3.228869|3.343742|4.000908|18.202930|4.324217|4.512793|3.014605|2.014690|1.768524|1.640818|1.705762|1.850092|2.075558|0.071747|0.075570|0.077882|0.098217|0.103424|0.119644|0.111772|0.172200|0.206347|0.207655|0.173185|0.305724|0.500000| |1.844022|2.058036|2.424530|2.775918|3.498014|4.088872|7.825139|8.879288|17.814714|54.871127|5.457702|5.432982|3.479534|3.160283|2.716383|2.545805|2.702683|3.145877|3.940665|2.030988|6.631110|5.182095|3.985903|3.679306|4.095454|5.430187|19.748538|4.530848|4.485134|3.682726|2.582663|2.141381|1.955442|1.929291|2.124604|2.552558|0.046863|0.051833|0.050459|0.056770|0.054990|0.066155|0.069317|0.076152|0.072006|0.093819|0.103508|0.111389|0.099373|0.500000| |2.640440|3.144676|3.895128|4.915173|6.429669|7.470789|10.117977|4.831001|4.320825|37.799252|9.536194|26.008789|9.072926|6.340863|4.489403|4.010669|4.497361|6.404332|5.590019|2.746549|3.766222|3.339894|2.757636|2.546037|2.715359|3.266875|14.818325|3.581669|3.611069|2.547776|1.752873|1.555235|1.444881|1.477419|1.583325|1.764442|0.065657|0.069244|0.074868|0.080833|0.090120|0.114878|0.097248|0.114963|0.147933|0.215001|0.139202|0.148408|0.252723|0.096746|0.500000| |1.856068|2.104605|2.390481|2.792533|3.234748|3.852507|5.963270|3.616832|3.720800|35.716538|5.720164|9.724611|8.888183|17.720135|8.960661|5.636970|4.941625|5.643416|7.635727|3.329060|2.897009|2.755457|2.308609|2.080703|2.136791|2.477069|12.466559|2.946405|3.086999|2.227727|1.534068|1.371592|1.302144|1.332040|1.443371|1.596512|0.047888|0.049281|0.052401|0.055912|0.060559|0.068706|0.062124|0.071886|0.082700|0.095917|0.080086|0.093368|0.121987|0.088999|0.170042|0.500000| |1.581586|1.735256|1.924780|2.132100|2.384201|2.626310|3.951662|2.577618|2.735510|25.284741|3.555587|5.656383|5.643600|8.917551|17.752952|8.940070|5.646264|4.958818|13.548676|4.874841|2.165514|2.062317|1.797009|1.661384|1.712091|1.937230|10.255629|2.451893|2.531530|1.865582|1.305753|1.184241|1.130390|1.147303|1.229903|1.343643|0.041222|0.042149|0.045197|0.045903|0.049888|0.056081|0.050583|0.055106|0.062447|0.071451|0.061002|0.065656|0.079211|0.069244|0.104148|0.214456|0.500000| |1.819096|1.933793|2.209223|2.307321|2.642138|2.622499|3.937227|2.568140|2.727393|25.267947|3.551482|5.678121|5.663290|4.946275|5.616282|8.857300|17.778165|8.963940|12.500984|7.411662|2.156222|1.941178|1.713579|1.654452|1.779526|2.038900|10.215931|2.516983|2.454392|1.851265|1.327301|1.206671|1.129331|1.127196|1.183998|1.297890|0.046456|0.048965|0.053579|0.049688|0.054483|0.067519|0.058962|0.057552|0.065406|0.084715|0.069373|0.063736|0.074530|0.068997|0.105031|0.107415|0.123958|0.500000| |2.270274|2.482103|3.000766|3.209124|3.960365|3.818458|5.878724|3.574500|3.686677|35.536222|5.663956|9.754725|8.933163|5.640200|4.955838|5.647596|8.932294|17.718464|7.469562|3.901870|2.863767|2.476961|2.133198|2.061103|2.264887|2.690542|12.364464|3.053445|2.943239|2.198668|1.566044|1.404076|1.298278|1.298577|1.368279|1.518411|0.056542|0.061110|0.066736|0.062979|0.069131|0.093463|0.079695|0.077242|0.089538|0.137244|0.101960|0.087674|0.106142|0.088227|0.172593|0.124085|0.107625|0.217011|0.500000| |1.559995|1.639086|1.807057|1.872248|2.052909|2.059320|2.995647|1.993708|2.093531|18.320236|2.576318|4.020295|3.740922|3.792844|4.761142|7.030534|6.700547|4.568204|16.422232|17.582565|1.731913|1.605308|1.442992|1.389788|1.468102|1.640299|8.760768|2.155105|2.128637|1.598158|1.145246|1.053360|0.996247|0.997533|1.045735|1.132528|0.040576|0.041777|0.045879|0.042444|0.046726|0.054517|0.048019|0.047541|0.053811|0.063632|0.053891|0.051453|0.059464|0.054177|0.077617|0.088189|0.120160|0.222022|0.112647|0.500000| |1.482917|1.560690|1.735546|1.809264|2.020772|2.049746|3.070508|2.090087|2.257598|20.108308|2.666291|4.010594|3.735543|3.784207|4.749108|7.017885|6.698258|4.563500|16.420884|17.581214|1.799650|1.657417|1.483331|1.429324|1.516100|1.703686|8.969360|2.198607|2.165592|1.651015|1.188499|1.088537|1.028485|1.024294|1.075814|1.171631|0.038470|0.040137|0.043239|0.040746|0.043973|0.051828|0.046748|0.046316|0.051231|0.062116|0.053866|0.051460|0.058246|0.059142|0.074951|0.087964|0.119814|0.222498|0.112548|0.298225|0.500000| |1.380405|1.451848|1.587558|1.657250|1.812268|1.852099|2.718399|1.847336|1.964999|17.031753|2.315961|3.503613|3.191601|3.422399|4.430275|5.897638|4.899022|3.618526|16.985257|17.674819|1.615283|1.513983|1.365418|1.309312|1.371978|1.523129|8.295689|2.028428|2.021441|1.527226|1.094771|1.008636|0.959597|0.960351|1.009298|1.091097|0.036145|0.037144|0.040175|0.038037|0.041282|0.047132|0.042459|0.042709|0.047469|0.055021|0.047946|0.046965|0.053376|0.051629|0.067010|0.082349|0.122003|0.145215|0.088873|0.299938|0.299949|0.500000| |2.037234|2.385059|2.717991|3.372336|3.906020|5.281495|7.777551|7.046537|5.454216|28.644315|4.394156|4.837101|2.907893|2.769006|2.331892|2.101630|2.160398|2.499609|3.291083|1.678376|8.887638|17.717306|8.937433|5.656412|4.944755|5.633101|27.749111|5.764295|6.936490|4.684395|2.900556|2.392851|2.243130|2.370593|2.759883|3.346921|0.052523|0.056399|0.053922|0.068780|0.064458|0.069972|0.075607|0.101269|0.088823|0.093861|0.109014|0.182867|0.131421|0.138872|0.096216|0.083980|0.061262|0.054749|0.068982|0.045652|0.047081|0.043325|0.500000| |1.970716|2.269371|2.478151|2.920431|3.101855|3.634898|4.834280|4.113283|3.461004|19.401481|2.908033|3.428418|2.151631|2.053441|1.798684|1.663371|1.714308|1.933753|2.666139|1.387913|5.638408|8.913707|17.761457|8.918606|5.638094|4.948113|47.122904|8.202668|13.380445|7.251727|3.897711|3.138924|2.971752|3.319357|4.117914|5.251457|0.051604|0.055444|0.051136|0.067740|0.060349|0.062360|0.070631|0.091975|0.075633|0.074415|0.089867|0.124656|0.091580|0.094736|0.070049|0.060812|0.047779|0.044444|0.054208|0.038024|0.038947|0.036201|0.215171|0.500000| |2.360324|2.607431|2.992220|3.210927|3.548273|3.485513|4.731650|4.116805|3.528245|19.538739|2.873872|3.371312|2.124484|1.921015|1.707048|1.649586|1.772872|2.019197|2.640037|1.412237|5.640043|4.948499|5.637065|8.922701|17.760606|8.911002|47.114792|13.328139|8.193102|7.264875|5.255442|3.962590|3.140742|3.048844|3.148229|3.903443|0.059849|0.070294|0.061118|0.076637|0.065218|0.075063|0.094231|0.097458|0.076656|0.085899|0.118855|0.108144|0.081529|0.098154|0.068492|0.054055|0.044277|0.047173|0.059406|0.039098|0.040337|0.036486|0.107448|0.124194|0.500000| |2.480266|2.790667|3.451620|3.849248|4.946450|4.855812|7.375477|7.068058|5.730268|29.098272|4.280924|4.682623|2.842798|2.467481|2.141906|2.074410|2.282265|2.694454|3.242800|1.722329|8.898014|5.633912|4.944895|5.656819|8.930594|17.724755|27.743616|6.927030|5.761796|4.686315|3.347454|2.703389|2.312725|2.265162|2.401449|2.901353|0.061359|0.072375|0.066133|0.078233|0.070559|0.089745|0.107396|0.108855|0.090568|0.121100|0.179990|0.140003|0.105962|0.150344|0.092342|0.068407|0.054349|0.060144|0.080866|0.047560|0.049614|0.043823|0.123866|0.107452|0.215072|0.500000| |1.579917|1.692938|1.831441|1.946056|2.080120|2.159153|3.044740|2.617136|2.506518|14.509339|1.992661|2.399126|1.592306|1.505163|1.377020|1.326526|1.384837|1.517008|2.177213|1.168660|3.172247|3.274075|3.882292|4.705417|4.426536|3.579232|39.081410|8.808179|7.498244|12.587277|17.561472|8.822959|6.553678|5.125822|5.204678|7.229436|0.041542|0.046062|0.041614|0.049411|0.044068|0.047600|0.054556|0.057781|0.049696|0.053137|0.063385|0.065378|0.054339|0.074927|0.047944|0.042765|0.036593|0.037032|0.043384|0.031967|0.033401|0.030716|0.079857|0.102443|0.128809|0.090598|0.500000| |1.807521|1.934764|2.102853|2.209327|2.346117|2.371493|3.274352|2.788569|2.590095|14.974557|2.108016|2.540539|1.665959|1.552721|1.412422|1.366934|1.442120|1.594199|2.231344|1.200800|3.465957|3.453527|4.151617|5.648204|5.718885|4.207412|49.625488|13.495623|8.328589|12.420070|17.644682|8.887952|5.443251|4.601618|4.395629|5.614703|0.047233|0.053414|0.047183|0.056903|0.049582|0.054008|0.063905|0.066220|0.055381|0.059237|0.073099|0.072196|0.058770|0.075519|0.051243|0.043887|0.037259|0.038648|0.046102|0.033056|0.034300|0.031418|0.081615|0.104943|0.189076|0.107080|0.303547|0.500000| |1.517640|1.591203|1.684216|1.738266|1.806870|1.819947|2.503463|2.063497|1.970183|11.905580|1.661918|2.049791|1.374291|1.298587|1.200155|1.167049|1.220941|1.326212|1.930293|1.045776|2.411240|2.445305|2.826274|3.378996|3.296719|2.729942|30.059792|8.016411|6.162845|7.607634|8.989754|17.514172|8.841540|5.448918|4.357530|4.621047|0.040306|0.044693|0.039840|0.046635|0.041232|0.043797|0.050453|0.051520|0.044488|0.046568|0.054814|0.054417|0.046339|0.057472|0.041405|0.036654|0.031947|0.032945|0.038113|0.028780|0.029833|0.027586|0.060951|0.076096|0.101665|0.071949|0.218781|0.215386|0.500000| |1.666633|1.758436|1.842322|1.904498|1.943588|1.950815|2.621575|2.135835|1.988858|12.020066|1.716766|2.124977|1.410610|1.330365|1.222045|1.183456|1.238798|1.353364|1.950216|1.053183|2.543428|2.625936|3.142526|3.867076|3.624330|2.886894|39.239640|11.375947|7.926118|9.163063|8.919493|17.552445|8.862004|6.880298|5.053072|5.090064|0.044418|0.049207|0.043217|0.052338|0.045336|0.047229|0.055321|0.057435|0.048524|0.049424|0.058934|0.059181|0.049618|0.056949|0.043361|0.037701|0.032498|0.033318|0.038921|0.029093|0.029900|0.027739|0.064927|0.085593|0.112525|0.074611|0.174306|0.220024|0.303299|0.500000| |1.368654|1.451742|1.526389|1.606510|1.666548|1.726759|2.384339|1.965078|1.888747|11.450796|1.590145|1.963952|1.322656|1.269418|1.174807|1.130920|1.167981|1.261983|1.876995|1.010104|2.283013|2.426194|2.840524|3.167955|2.872004|2.445071|28.303370|6.535452|6.433525|7.835045|6.729097|8.779663|17.488486|8.760722|6.928076|6.353190|0.036594|0.039658|0.036009|0.042591|0.038192|0.039768|0.044815|0.047760|0.041784|0.042941|0.049509|0.052011|0.044610|0.055354|0.039590|0.036209|0.031548|0.031320|0.035806|0.027666|0.028695|0.026767|0.062109|0.080552|0.082192|0.062833|0.193907|0.138195|0.209944|0.173168|0.500000| |1.377782|1.447315|1.502856|1.559839|1.592752|1.623826|2.207456|1.786572|1.702734|10.479161|1.474520|1.840445|1.240772|1.187390|1.101659|1.065151|1.103110|1.190233|1.771205|0.957103|2.060288|2.163931|2.518105|2.844262|2.624361|2.229655|26.107911|6.517208|6.025755|6.400498|5.474011|8.960633|17.550526|8.889863|5.477295|4.650651|0.037062|0.040137|0.036092|0.042679|0.037938|0.039045|0.044279|0.046482|0.040532|0.041076|0.047304|0.048759|0.042072|0.049202|0.037376|0.033756|0.029559|0.029693|0.033899|0.026333|0.027140|0.025378|0.055408|0.071146|0.076925|0.058003|0.138928|0.124210|0.221781|0.213584|0.305029|0.500000| 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