Version2.0 2020-04-14T16:15:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)COC(C4)(C)C C34750225 RHF 6-31G(d) (6D,7F) CC(C)C[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)COC(C4)(C)C C01[X(C27H42N5O2S2)] 228 C1 632 CC(C[NH+]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CC(C)(C)OCc1s2)C CC(C[NH+]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CC(C)(C)OCc1s2)C CC(C)C[NH+]1CCN(CC1)c2nc(SCC(=O)NC3CCCCC3)nc4sc5COC(C)(C)Cc5c24 InChIKey=JEHSBKPZUITKJB-UHFFFAOYSA-O InChI=1S/C27H41N5O2S2/c1-18(2)15-31-10-12-32(13-11-31)24-23-20-14-27(3,4)34-16-21(20)36-25(23)30-26(29-24)35-17-22(33)28-19-8-6-5-7-9-19/h18-19H,5-17H2,1-4H3,(H,28,33)/p+1 InChI=1/C27H41N5O2S2/c1-18(2)15-31-10-12-32(13-11-31)24-23-20-14-27(3,4)34-16-21(20)36-25(23)30-26(29-24)35-17-22(33)28-19-8-6-5-7-9-19/h18-19H,5-17H2,1-4H3,(H,28,33)/p+1/fC27H42N5O2S2/h28,31H/q+1 CC(C)C[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)COC(C4)(C)C C01[X(C27H42N5O2S2)] 228 C01 632 CC(C[NH+]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CC(C)(C)OCc1s2)C CC(C[NH]1CCN(CC1)c1nc(SCC(=O)NC2CCCCC2)nc2c1c1CC(C)(C)OCc1s2)C CC(C)C[NH]1CCN(CC1)c2nc(SCC(=O)NC3CCCCC3)nc4sc5COC(C)(C)Cc5c24 InChIKey=WWNYGPCVCHONHT-UHFFFAOYSA-N InChI=1S/C27H42N5O2S2/c1-18(2)15-31-10-12-32(13-11-31)24-23-20-14-27(3,4)34-16-21(20)36-25(23)30-26(29-24)35-17-22(33)28-19-8-6-5-7-9-19/h18-19,31H,5-17H2,1-4H3,(H,28,33) InChI=1/C27H42N5O2S2/c1-18(2)15-31-10-12-32(13-11-31)24-23-20-14-27(3,4)34-16-21(20)36-25(23)30-26(29-24)35-17-22(33)28-19-8-6-5-7-9-19/h18-19,31H,5-17H2,1-4H3,(H,28,33)/f/h28H 4255.4794540101 -2263.7291089 1-A 36014.8578 143 489 632 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12.00000 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 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 13818.2584 50643.3965 62146.5485 0.99994 0.01105 -0.00042 -0.01105 0.99989 0.00944 0.00053 -0.00944 0.99996 1 0.00627 0.00171 0.00139 0.13061 0.03564 0.02904 13.16 20.74 29.25 40.07 41.66 55.14 63.65 70.37 88.92 104.62 115.90 117.80 135.26 147.89 157.71 171.84 212.66 214.41 235.19 295.97 307.83 333.17 343.34 351.14 352.37 363.68 369.83 376.70 382.63 398.83 411.29 437.78 447.40 459.63 467.59 497.10 521.92 531.37 538.97 548.20 570.12 592.70 620.87 636.35 649.57 650.73 671.09 681.57 686.66 702.95 720.52 726.09 729.18 754.24 772.84 788.73 868.23 876.75 910.99 943.13 945.81 966.87 1020.06 1039.93 1087.27 1095.39 1138.75 1166.95 1213.85 1236.97 1245.47 1271.02 1274.57 1290.70 1300.81 1317.55 1322.28 1346.59 1387.91 1393.27 1397.65 1411.19 1417.04 1452.64 1456.89 1462.19 1473.70 1479.13 1481.96 1492.40 1505.93 1509.09 1524.06 1545.39 1548.69 1561.89 1593.09 1603.24 1622.53 1639.74 1650.26 1653.04 1658.58 1668.06 1689.18 1713.92 1718.35 1734.69 1745.02 1779.40 1810.73 1817.25 1837.35 1849.76 1850.14 1855.31 1866.41 1874.12 1879.60 1899.53 1903.15 1916.07 1935.48 1956.90 1972.71 1996.74 2000.72 2014.54 2018.86 2028.01 2028.77 2036.12 2058.75 2092.60 2099.97 2112.53 2117.03 2125.89 2143.28 2151.26 2156.19 2164.52 2166.70 2192.69 2193.71 2198.54 2200.20 2205.52 2218.49 2240.06 2242.78 2244.31 2248.59 2255.14 2264.43 2267.86 2276.25 2280.72 2287.72 2302.16 2309.36 2335.50 2340.50 2341.38 2345.13 2348.59 2353.38 2355.05 2357.31 2360.38 2360.68 2362.84 2363.57 2368.25 2373.02 2378.56 2378.81 2386.39 2387.03 2391.29 2399.92 2459.74 2466.26 2548.47 2590.44 2802.41 4546.27 4558.97 4578.39 4586.65 4592.40 4593.16 4594.30 4598.51 4612.36 4616.00 4618.43 4622.42 4633.79 4639.04 4656.83 4663.15 4664.83 4670.85 4677.42 4679.31 4682.58 4694.21 4695.44 4712.18 4713.89 4715.53 4718.17 4720.19 4724.67 4734.20 4739.35 4741.07 4748.21 4749.83 4770.44 4780.60 4782.61 4790.96 4809.61 4830.93 5317.58 5558.88 0.730001 0.764177 0.765121 0.659454 -2262.999108 -2262.964932 -2262.963988 -2263.069655 3.544089D-04 MUNgauss RevisionA2.0 retrievium 14-Apr-2020 DUDE CC(C)C[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCC(=O)NC5CCCCC5)COC(C4)(C)C C34750225 RHF 6-31G(d) (6D,10F) C1 532.277994 |X|Y|Z| 84.719566 167.175965 29.822957 75.030197 29 6 7 8 16 21 5 1 2 |36.858105| |12.427514|36.858105| |7.540418|12.417694|36.858105| |7.469250|12.431559|7.692836|36.858105| |6.236308|7.435890|4.929929|12.647069|53.358707| |7.239342|7.075591|4.659516|9.309386|25.705361|0.500000| |4.365719|4.916300|3.847647|7.658692|17.240061|0.259606|36.858105| |3.611194|3.782180|3.031225|4.973768|10.435907|0.199323|12.545112|36.858105| |3.350787|3.586731|2.867790|4.458622|9.033011|0.165928|7.869432|13.107196|53.358707| |3.964675|4.218458|3.198601|4.949133|10.445060|0.198391|6.672807|7.973031|17.823051|36.858105| |5.089141|6.076512|4.227319|7.569165|17.276900|0.259162|7.734557|6.638710|10.630072|12.534338|36.858105| |2.750171|2.856699|2.370376|3.353465|6.104248|0.119551|5.131108|7.896339|18.287613|7.948912|5.126428|36.858105| |2.405901|2.531256|2.149153|2.886079|4.936170|0.095350|3.951837|5.158694|10.535323|6.064298|4.311817|13.601520|36.858105| |2.305183|2.490339|2.144145|2.806782|4.609523|0.086678|3.567255|4.195933|8.154328|5.305286|4.178000|7.215402|13.057104|36.858105| |2.002712|2.137139|1.877738|2.351001|3.732798|0.071553|2.857689|3.285713|5.817855|3.954343|3.267732|5.159985|8.237564|14.247218|36.858105| |1.840322|1.912743|1.687132|2.088329|3.320590|0.065420|2.570423|3.043818|5.123174|3.430977|2.791314|4.897308|7.322010|7.319373|10.879770|388.023441| |2.100655|2.164954|1.871889|2.412159|3.991527|0.079235|3.170116|4.035476|7.070540|4.403431|3.336206|8.161217|13.658035|8.053991|7.707124|78.054281|36.858105| |2.030674|2.050230|1.779090|2.274821|3.753433|0.076311|3.009754|3.898022|6.263501|3.909067|3.010197|6.990485|7.883059|5.236607|5.048437|50.399066|14.404728|53.358707| |2.228739|2.223474|1.908512|2.500759|4.226543|0.087366|3.472737|4.787128|7.296485|4.351000|3.286370|8.370868|7.082034|4.618511|4.121535|35.076766|8.576875|19.803920|36.858105| |2.607316|2.618183|2.197316|3.028550|5.386593|0.110998|4.578433|7.165809|11.187811|5.884603|4.167999|14.594797|8.058906|5.037940|4.110533|30.962020|7.205730|11.040786|14.262834|53.358707| |2.061089|2.008584|1.749803|2.227225|3.655338|0.077471|2.985748|3.900967|5.305415|3.356422|2.712006|4.973773|4.289369|3.240002|3.008621|25.219820|4.911761|9.656965|10.846550|10.006938|388.023441| |1.748328|1.714918|1.519316|1.867430|2.973961|0.062248|2.372341|2.924463|4.126359|2.709314|2.249002|3.793794|3.673409|2.937311|2.898472|25.998375|4.564840|9.072552|6.931934|6.500799|74.744950|36.858105| |1.614358|1.568865|1.404984|1.692846|2.647410|0.055813|2.097994|2.509898|3.433775|2.299213|1.966701|2.986940|2.856761|2.382827|2.353578|20.218609|3.345033|5.923978|4.628668|4.953887|49.900860|12.502303|36.858105| |1.654606|1.593584|1.428516|1.720171|2.684001|0.057097|2.133415|2.541315|3.378662|2.266447|1.958858|2.864451|2.657718|2.223995|2.158739|17.914464|2.991255|5.129982|4.236914|4.797799|48.022838|7.989090|15.871451|73.516695| |1.459491|1.423778|1.286057|1.523603|2.350824|0.049275|1.844296|2.158564|2.987015|2.028073|1.758404|2.563755|2.528092|2.173136|2.194621|18.992048|2.971880|5.042315|3.694271|4.068648|34.182671|7.907094|14.161210|15.048706|53.358707| |1.345337|1.307628|1.191516|1.390256|2.116999|0.044455|1.652304|1.896092|2.590776|1.777296|1.569742|2.164134|2.123438|1.864358|1.879458|15.796975|2.421972|3.934452|2.918179|3.371327|26.152979|5.008054|7.722244|11.978883|17.766480|36.858105| |1.254015|1.219953|1.115869|1.285574|1.943842|0.040740|1.498915|1.699787|2.350249|1.636219|1.453585|1.949649|1.945270|1.739153|1.776540|14.932650|2.217631|3.512565|2.536240|2.967430|21.399475|3.979962|5.187169|8.073770|10.611078|12.452430|36.858105| |1.160551|1.127037|1.038406|1.182466|1.770118|0.037114|1.360939|1.522408|2.086682|1.460332|1.314932|1.701217|1.689093|1.528789|1.555603|12.785797|1.886926|2.923348|2.133775|2.562649|17.746318|3.075251|3.859120|6.497565|6.811287|7.535114|12.435321|36.858105| |1.116384|1.089176|1.008387|1.148023|1.710935|0.035722|1.325521|1.476176|2.009632|1.394470|1.263756|1.630782|1.617387|1.470089|1.493549|12.183230|1.795402|2.763486|2.024016|2.448907|16.760666|2.850721|3.534690|6.057503|6.021636|6.435023|7.517309|12.442300|36.858105| |1.179653|1.150501|1.063418|1.221062|1.826033|0.038159|1.428528|1.599930|2.154722|1.479281|1.338302|1.750983|1.716302|1.544039|1.553809|12.645269|1.899759|2.957060|2.204130|2.662855|18.783217|3.168197|4.098988|7.284207|6.771678|7.530570|6.443209|7.539869|12.443658|36.858105| |1.277915|1.249624|1.146872|1.335369|2.018209|0.042124|1.590387|1.809413|2.448354|1.662689|1.485074|2.025301|1.987012|1.761645|1.773909|14.711063|2.238470|3.571257|2.656381|3.125569|23.286576|4.187047|5.815785|9.749962|10.463590|12.434849|7.537755|6.450486|7.528511|12.437906|36.858105| |1.838011|1.979716|1.773161|2.144122|3.287270|0.062741|2.474303|2.713493|4.579575|3.234656|2.853523|3.741862|5.070801|7.610575|12.676943|47.513816|4.823952|4.962773|3.112516|4.245176|17.323570|2.391662|2.010083|3.301070|2.600220|1.668657|1.599002|1.417882|1.367049|1.410350|1.588303|36.858105| |1.955321|2.150026|1.930850|2.324216|3.512066|0.065916|2.597462|2.752669|4.654134|3.381698|3.111838|3.560962|4.538119|6.924882|7.986779|33.539469|3.981276|4.246468|2.798565|3.970973|15.832877|2.131561|1.821147|3.037751|2.343249|1.521445|1.455490|1.303578|1.259695|1.302182|1.453576|13.662128|73.516695| |2.135785|2.402048|2.150048|2.670390|4.043967|0.073926|3.044829|3.169124|5.417062|3.812301|3.602168|3.952263|4.874996|7.574047|6.859711|30.085652|3.965584|4.257185|2.901807|4.273025|16.316329|2.135257|1.826711|3.078911|2.322558|1.510359|1.428929|1.283654|1.247305|1.300816|1.452717|7.934288|23.923795|36.858105| |2.480675|2.787692|2.405055|3.177591|5.099575|0.091969|3.857928|4.167901|7.907021|5.454910|4.812894|5.627880|7.135362|12.619800|7.712885|33.520234|4.981726|5.147074|3.584068|5.549856|19.247706|2.429063|2.042309|3.454166|2.549069|1.640311|1.535770|1.370327|1.324984|1.390887|1.564811|6.505673|14.111904|12.359267|36.858105| |1.938875|2.168059|1.977392|2.444354|3.652887|0.067036|2.869139|2.989628|4.859232|3.229154|3.070254|3.616258|4.348363|5.983560|5.769815|28.328444|3.716615|4.099330|2.795412|4.049303|15.980674|2.111073|1.815313|3.057493|2.316829|1.510788|1.423325|1.281721|1.257684|1.317266|1.472539|6.498304|13.903117|12.436142|7.491092|36.858105| |2.187177|2.518258|2.294528|2.748074|3.985845|0.072203|2.897348|2.861297|4.692629|3.476464|3.547849|3.242414|3.692821|4.977122|4.536966|22.776054|3.080215|3.476304|2.434938|3.615959|14.185063|1.850735|1.615406|2.752282|2.061456|1.358045|1.290737|1.170900|1.138604|1.184379|1.308837|5.218790|14.546718|12.498857|7.567407|7.609861|36.858105| |17.509357|8.655777|5.455745|6.592438|9.170130|0.243379|4.583228|3.985474|5.094996|4.634484|5.744616|3.063386|2.640131|2.487838|2.147944|14.121288|2.298282|3.033960|2.467280|3.968069|16.136249|1.903730|1.746562|3.180814|2.136318|1.438057|1.338300|1.231879|1.178763|1.245557|1.355551|1.944579|3.648350|2.225637|2.633154|2.001239|2.242830|0.500000| |17.534987|8.748184|6.750494|6.833787|7.759482|0.187195|4.343817|3.566185|4.314284|3.569395|4.368961|2.629468|2.280227|2.160101|1.886069|12.474574|2.010948|2.679465|2.180952|3.464543|14.616751|1.733611|1.614971|2.968531|1.981650|1.348368|1.251039|1.161940|1.121505|1.190303|1.286332|1.727262|3.237705|1.991192|2.298161|1.839349|2.020839|0.300316|0.500000| |17.592024|8.822568|6.998079|5.471227|6.368073|0.144601|3.509754|3.018522|3.911505|3.385522|4.170624|2.430881|2.172989|2.104407|1.856766|12.178349|1.924028|2.533886|2.018724|3.150303|13.378844|1.622194|1.507961|2.743186|1.869998|1.273380|1.194827|1.110324|1.066387|1.121378|1.208355|1.724125|3.262910|1.979516|2.257846|1.794885|2.045527|0.304697|0.302499|0.500000| |8.875905|17.549693|8.950936|8.867531|9.121539|0.172161|4.473221|3.613585|4.942508|4.473562|6.673337|2.907796|2.629537|2.639107|2.262228|14.186123|2.234134|2.840294|2.232060|3.557109|14.123832|1.712803|1.556892|2.788725|1.931526|1.299196|1.218431|1.122767|1.081801|1.137438|1.237017|2.110593|4.129164|2.585667|3.003646|2.279213|2.756598|0.212044|0.173030|0.211678|0.500000| |6.848773|8.749243|17.548144|6.913029|6.222904|0.123056|3.773096|2.960943|3.698196|2.941654|3.738108|2.265763|2.038385|2.009542|1.767870|11.432999|1.791182|2.341728|1.858442|2.905332|12.289127|1.495847|1.393074|2.533825|1.733037|1.184507|1.105794|1.032358|1.005490|1.063807|1.144489|1.663516|3.186549|1.992529|2.221789|1.863112|2.097864|0.138685|0.200322|0.173436|0.173823|0.500000| |5.473308|8.732197|17.559029|7.046528|6.263894|0.115183|3.745122|2.939154|3.845371|3.099645|4.107585|2.337842|2.148851|2.180819|1.910401|12.057588|1.863411|2.388480|1.865842|2.914061|12.062347|1.483180|1.367276|2.459329|1.709488|1.162626|1.090304|1.014382|0.987728|1.040780|1.123104|1.822735|3.570257|2.261459|2.495008|2.085792|2.460670|0.121797|0.138668|0.141872|0.213133|0.300944|0.500000| |6.893186|8.818199|17.590907|5.555937|5.521315|0.110078|3.226713|2.659926|3.486632|2.886612|3.680721|2.164773|1.986874|1.989894|1.764492|11.332837|1.750392|2.269482|1.776378|2.747995|11.652674|1.437155|1.335108|2.411114|1.671746|1.142066|1.075069|1.003121|0.972028|1.020929|1.096876|1.678839|3.245456|2.002261|2.213324|1.833773|2.146320|0.141439|0.166569|0.210380|0.215960|0.302047|0.302351|0.500000| |5.455821|8.764710|6.997177|17.615358|12.438574|0.182133|6.972034|4.622850|5.909151|4.658206|7.071437|3.285217|2.904519|2.911145|2.430604|15.040947|2.407041|3.042001|2.417659|3.948137|15.123072|1.807033|1.632072|2.927068|2.011365|1.347653|1.249506|1.149407|1.119558|1.188843|1.300442|2.246005|4.405671|2.912661|3.422621|2.671914|3.068527|0.137138|0.139343|0.122784|0.213921|0.169776|0.211747|0.142787|0.500000| |6.766349|8.835477|7.060738|17.604333|12.458635|0.221647|7.405849|4.770309|5.450934|4.176957|5.594946|3.106271|2.655435|2.544267|2.159656|13.896642|2.261418|2.952104|2.406965|3.940010|15.605783|1.832170|1.678042|3.058263|2.051402|1.382839|1.273136|1.175874|1.146255|1.224679|1.335493|1.969789|3.745794|2.404741|2.814144|2.257115|2.446614|0.161325|0.202049|0.140264|0.173897|0.209226|0.175563|0.142648|0.301818|0.500000| |3.833852|4.572790|3.767586|7.088113|12.405281|0.182150|17.631010|8.816643|9.666988|5.867845|7.040936|4.818552|3.937679|3.727618|2.965175|18.439178|3.121934|3.937205|3.233468|5.619257|19.509244|2.241556|1.979192|3.543455|2.394030|1.578229|1.438495|1.308257|1.280049|1.375969|1.529785|2.604199|4.947668|3.373293|4.242745|3.225057|3.240368|0.108175|0.104505|0.088284|0.118871|0.101519|0.106723|0.087377|0.212932|0.185130|0.500000| |4.358652|4.714991|3.857179|7.157212|12.360198|0.225743|17.627119|8.828040|7.696885|4.983559|5.632347|4.192327|3.318987|2.998856|2.485144|16.281475|2.782880|3.692053|3.145527|5.445829|20.203477|2.259486|2.037978|3.735703|2.437414|1.620541|1.464753|1.339093|1.309767|1.418027|1.569589|2.182828|4.039699|2.618802|3.181991|2.519697|2.516650|0.123128|0.128267|0.097098|0.113499|0.110212|0.102533|0.089330|0.173044|0.231322|0.299938|0.500000| |3.064673|3.213709|2.695411|4.139368|7.608850|0.145612|8.979051|17.641875|12.456105|5.725379|4.954202|7.313405|5.002177|4.039153|3.230352|21.722149|4.060001|5.453713|4.976866|9.800810|29.332760|3.064939|2.627955|4.738819|3.059112|1.970032|1.748071|1.564447|1.530173|1.673124|1.903457|2.668307|4.739592|3.076488|3.924052|3.025334|2.736052|0.091508|0.085633|0.072747|0.085064|0.074234|0.073552|0.066118|0.110767|0.114680|0.214419|0.213155|0.500000| |3.747182|3.685333|2.936852|4.589991|9.344915|0.209485|8.838519|17.511722|12.225079|7.117683|5.798433|6.849437|4.571910|3.664920|2.979045|20.373696|3.803733|5.248418|4.930790|9.973311|30.355730|3.076185|2.668271|4.887178|3.079685|1.989319|1.773228|1.587163|1.529958|1.662978|1.880397|2.473927|4.406036|2.764624|3.530392|2.597727|2.520061|0.118579|0.104464|0.086886|0.096711|0.080499|0.077229|0.072566|0.113108|0.125251|0.173011|0.214406|0.303863|0.500000| |3.459260|3.705242|2.909097|4.118377|7.621712|0.145149|4.976800|5.718431|12.405438|17.651653|8.992549|7.359769|6.724684|6.381512|4.648185|27.362034|4.777193|5.472028|4.206782|7.198814|22.602987|2.670437|2.247996|3.878286|2.734427|1.754903|1.632553|1.452494|1.381944|1.454352|1.634928|3.756706|7.049288|4.366513|6.523046|3.496853|3.912426|0.110252|0.085826|0.085138|0.113158|0.073612|0.079474|0.074451|0.111932|0.097137|0.131074|0.109288|0.127467|0.144426|0.500000| |4.160034|4.097499|3.090446|4.562635|9.341243|0.208235|5.816218|7.156082|12.279770|17.444052|8.846817|6.920693|5.213441|4.380071|3.479703|22.769436|4.132930|5.279461|4.457814|8.115003|25.392843|2.826025|2.414817|4.272138|2.874075|1.850963|1.700836|1.516226|1.437671|1.525513|1.713573|2.871268|5.212135|3.182142|4.255844|2.757961|2.929907|0.142683|0.104454|0.098834|0.118445|0.079872|0.081018|0.078668|0.113635|0.110442|0.134512|0.130439|0.145147|0.212958|0.302881|0.500000| |5.827542|6.875392|4.554962|6.977466|12.328871|0.224948|5.624987|4.978478|7.675791|8.846688|17.659591|4.204624|3.703913|3.659556|2.981036|18.302923|2.987784|3.704391|2.927285|4.854589|17.596605|2.091196|1.848639|3.275543|2.267792|1.497089|1.397492|1.269165|1.214905|1.279036|1.410437|2.666330|5.193859|3.271299|4.157821|2.760202|3.321091|0.188572|0.129244|0.135471|0.238127|0.107767|0.119861|0.113697|0.175009|0.142420|0.143551|0.126672|0.109111|0.130578|0.213899|0.215491|0.500000| |4.314053|5.497790|4.139935|7.039248|12.430547|0.182097|7.027122|5.809966|9.557042|8.827157|17.632818|4.796904|4.284780|4.441251|3.431435|20.039759|3.274294|3.929050|3.072440|5.179939|17.916542|2.131964|1.863954|3.279224|2.287876|1.503266|1.396376|1.265572|1.222351|1.292548|1.432655|3.060852|6.141229|4.192708|5.641687|3.516801|4.259428|0.126515|0.105146|0.101673|0.170812|0.100856|0.118231|0.099406|0.217536|0.145818|0.211321|0.143736|0.129813|0.133722|0.215390|0.173165|0.300082|0.500000| |1.744113|1.708001|1.508852|1.840252|2.930254|0.061416|2.290290|2.799182|4.060784|2.740635|2.256295|3.748772|3.749203|3.021935|3.036413|28.054820|4.801253|9.493691|6.531629|6.194456|56.251238|17.616964|8.852480|10.966834|9.654748|4.647618|3.985917|3.042528|2.739992|2.931389|3.744663|2.498446|3.921847|2.172208|2.468669|2.114036|1.880651|0.053014|0.047641|0.045188|0.047787|0.041017|0.040894|0.039842|0.049470|0.049707|0.060177|0.060041|0.079527|0.081682|0.076511|0.079914|0.058869|0.059275|0.500000| |1.674535|1.663035|1.482394|1.822018|2.883479|0.059529|2.324846|2.846122|4.051421|2.614235|2.188000|3.749487|3.762973|3.044249|3.056976|28.133905|4.807762|9.446374|6.526130|6.188955|56.279218|17.610100|8.852085|10.983109|9.598028|4.659214|3.778518|2.952366|2.816465|3.132424|4.180406|2.520004|3.939164|2.218943|2.494775|2.233403|1.901863|0.050243|0.046082|0.043153|0.046209|0.040520|0.040480|0.038869|0.049480|0.049639|0.061991|0.061318|0.084333|0.080952|0.072082|0.073979|0.056173|0.058467|0.302914|0.500000| |1.428940|1.403165|1.268249|1.500820|2.313927|0.048189|1.811101|2.116029|2.976920|2.022465|1.749199|2.578939|2.607652|2.258700|2.321239|20.591087|3.134980|5.301447|3.693906|4.019889|31.772519|7.619140|9.426887|10.867662|26.045667|9.004454|7.306350|4.667503|4.150461|4.405250|6.410452|2.022195|3.200467|1.767760|1.927060|1.766456|1.558696|0.042641|0.039394|0.037413|0.039048|0.034746|0.034533|0.033667|0.040653|0.041028|0.048332|0.048487|0.061104|0.060892|0.056268|0.057999|0.046047|0.046722|0.207378|0.209825|0.500000| |1.380471|1.331301|1.211788|1.411490|2.149251|0.045457|1.672175|1.916224|2.590690|1.787465|1.582525|2.143060|2.069346|1.810540|1.804945|14.940664|2.324008|3.763887|2.866676|3.364310|26.374202|4.707160|7.415335|13.578634|12.679081|17.606224|8.893366|6.824700|5.689058|6.832250|8.899139|1.601494|2.618779|1.469113|1.604598|1.461595|1.328936|0.041068|0.038573|0.036311|0.036617|0.033549|0.032703|0.032292|0.037789|0.039125|0.044047|0.045813|0.055052|0.056484|0.048692|0.052182|0.042036|0.041836|0.121268|0.116256|0.181749|0.500000| |1.287658|1.247614|1.137236|1.308178|1.982997|0.041714|1.516654|1.722117|2.395733|1.684806|1.490462|1.989496|1.986618|1.773618|1.812596|15.268801|2.268534|3.594102|2.588391|3.025958|21.696130|4.015773|5.068907|7.871974|9.703370|8.849384|17.542014|8.796600|5.479782|4.836434|5.498314|1.628248|2.635030|1.448352|1.562404|1.429334|1.309809|0.038334|0.035572|0.034149|0.034709|0.031226|0.030796|0.030505|0.035224|0.035861|0.040287|0.041034|0.048747|0.050142|0.046870|0.048971|0.039988|0.039603|0.116952|0.102529|0.189114|0.215700|0.500000| |1.223634|1.198206|1.097531|1.264749|1.910372|0.039802|1.475286|1.671260|2.330813|1.617771|1.436854|1.943153|1.967833|1.772191|1.831563|15.568353|2.265905|3.565415|2.515087|2.926874|20.587607|3.898084|4.747924|7.126133|9.704092|8.855344|17.468576|8.851650|6.775391|5.662291|6.796249|1.655360|2.658246|1.460024|1.558110|1.460991|1.313206|0.036202|0.033810|0.032385|0.033340|0.030146|0.029900|0.029359|0.034315|0.034698|0.039577|0.039875|0.047856|0.047983|0.045115|0.046342|0.038314|0.038561|0.109559|0.107253|0.217192|0.174213|0.302492|0.500000| |1.176806|1.136203|1.046651|1.188743|1.777959|0.037460|1.362925|1.521626|2.072018|1.456597|1.314613|1.678181|1.649739|1.489335|1.503656|12.240872|1.825812|2.827008|2.094000|2.537931|17.618023|2.965099|3.760436|6.613693|6.272835|6.787372|8.859445|17.506000|8.851007|6.784179|5.660060|1.368883|2.251404|1.251354|1.341451|1.244463|1.146415|0.034730|0.032810|0.031309|0.031370|0.028959|0.028311|0.028118|0.031970|0.032910|0.036225|0.037395|0.043288|0.044368|0.040071|0.042260|0.035332|0.034999|0.081322|0.077436|0.114958|0.200958|0.214865|0.173826|0.500000| |1.109349|1.078604|0.996066|1.126727|1.680310|0.035176|1.284596|1.428751|1.969573|1.387500|1.253629|1.600044|1.600796|1.462475|1.497050|12.274117|1.785203|2.731615|1.973445|2.384206|16.021635|2.745685|3.291037|5.496360|5.647379|5.498005|8.840828|17.546804|8.806051|5.490388|4.840341|1.375263|2.247931|1.238459|1.314478|1.234216|1.132934|0.032668|0.030772|0.029583|0.029933|0.027457|0.027058|0.026800|0.030477|0.031049|0.034397|0.035037|0.040603|0.041233|0.038530|0.039945|0.033741|0.033586|0.076971|0.073755|0.112615|0.140042|0.211884|0.215343|0.303662|0.500000| |1.062494|1.035298|0.962453|1.087575|1.611554|0.033663|1.244601|1.375083|1.865603|1.300457|1.186967|1.499928|1.484452|1.358016|1.376755|11.101534|1.631184|2.483390|1.826280|2.238554|14.970462|2.470998|2.991551|5.243016|4.858366|4.832655|5.485648|8.824643|17.544104|8.814369|5.487403|1.268283|2.089725|1.165153|1.233722|1.174492|1.069948|0.031074|0.029696|0.028270|0.028534|0.026700|0.026179|0.025821|0.029458|0.030220|0.033409|0.034274|0.039505|0.039586|0.035764|0.037242|0.031789|0.031912|0.066273|0.067655|0.093470|0.127362|0.123101|0.139249|0.215104|0.211514|0.500000| |1.089425|1.068402|0.990411|1.127583|1.678825|0.034891|1.302162|1.448687|1.984302|1.373840|1.245310|1.614938|1.617646|1.479079|1.514266|12.412129|1.804808|2.762289|1.995327|2.407159|16.212442|2.786957|3.344464|5.571971|5.748213|5.646074|6.763040|8.849908|17.496926|8.849529|6.776169|1.391965|2.270073|1.260086|1.330587|1.276113|1.147419|0.031904|0.030329|0.028906|0.029544|0.027385|0.027031|0.026510|0.030667|0.031208|0.035107|0.035624|0.041791|0.041419|0.037981|0.039117|0.033217|0.033608|0.074764|0.078271|0.115676|0.131520|0.138963|0.199182|0.173748|0.214693|0.303447|0.500000| |1.197899|1.161628|1.073717|1.230182|1.837853|0.038596|1.434670|1.603436|2.142400|1.476575|1.339341|1.728668|1.676620|1.504346|1.502157|12.113144|1.838328|2.859568|2.164296|2.640791|18.691247|3.053352|3.994903|7.502425|6.242885|6.787760|5.659740|6.784779|8.849045|17.503026|8.853185|1.361928|2.249271|1.268188|1.361875|1.278738|1.159821|0.035152|0.033686|0.031651|0.031809|0.029909|0.029096|0.028656|0.033131|0.034376|0.038192|0.039752|0.046442|0.046639|0.040130|0.042541|0.035627|0.035781|0.078452|0.081851|0.109584|0.201362|0.126792|0.131148|0.199554|0.139271|0.214789|0.173712|0.500000| |1.138029|1.114111|1.034319|1.184983|1.763600|0.036720|1.385057|1.541935|2.069125|1.415239|1.288427|1.671783|1.640385|1.485097|1.494037|12.061876|1.803386|2.778126|2.069869|2.524972|17.362235|2.859224|3.548847|6.339715|5.606874|5.493022|4.834245|5.490758|8.808883|17.546070|8.833764|1.363374|2.243704|1.264779|1.345523|1.289322|1.153747|0.033233|0.031955|0.030046|0.030550|0.028794|0.028185|0.027558|0.032143|0.033097|0.037223|0.038301|0.045014|0.044266|0.038601|0.040316|0.034149|0.034713|0.073070|0.080142|0.104637|0.140163|0.106561|0.126763|0.139301|0.123118|0.211337|0.214650|0.303714|0.500000| |1.247137|1.227867|1.128582|1.314594|1.984661|0.041161|1.566840|1.780700|2.431766|1.645115|1.469094|2.022394|2.013959|1.797794|1.829319|15.314948|2.290394|3.631997|2.639232|3.086982|22.349324|4.105674|5.246725|8.267238|9.607257|8.869518|6.808067|5.674464|6.782635|8.833320|17.486176|1.643585|2.655269|1.487020|1.590371|1.517236|1.333500|0.036675|0.034760|0.032758|0.033865|0.031213|0.030822|0.029967|0.035753|0.036415|0.042166|0.042747|0.052193|0.050870|0.045201|0.046710|0.038687|0.039608|0.102908|0.119999|0.186824|0.174501|0.139838|0.200948|0.131281|0.127073|0.139237|0.199553|0.173573|0.214390|0.500000| |1.333118|1.303528|1.195142|1.401857|2.124108|0.044360|1.690024|1.931848|2.582461|1.735833|1.550335|2.133765|2.065375|1.815771|1.808965|14.884682|2.308645|3.706479|2.820458|3.331915|25.442971|4.406276|6.213420|11.231335|9.540952|8.863134|5.505005|4.841494|5.484528|8.796247|17.558527|1.610087|2.630219|1.491826|1.616225|1.517713|1.342946|0.039257|0.037431|0.034867|0.035686|0.033232|0.032489|0.031637|0.037867|0.039119|0.045048|0.046560|0.056988|0.055904|0.047023|0.049678|0.040683|0.041498|0.104706|0.122388|0.157918|0.216389|0.123699|0.139776|0.126809|0.106679|0.123067|0.139144|0.214628|0.211586|0.302432|0.500000| |1.701351|1.830683|1.659224|1.991107|3.018857|0.057668|2.309451|2.521046|4.127161|2.845175|2.550374|3.371621|4.414486|6.019146|8.916974|43.260923|4.366184|4.659870|2.923597|3.931100|16.604102|2.326833|1.969644|3.226947|2.568468|1.654353|1.586130|1.409871|1.369310|1.413021|1.590767|17.522378|16.481591|6.730636|5.314288|6.844085|4.651251|0.049639|0.044797|0.044376|0.053670|0.043561|0.047510|0.043604|0.058095|0.051396|0.067931|0.057291|0.070247|0.063858|0.088736|0.070831|0.065963|0.076043|0.066799|0.069191|0.055728|0.043844|0.044535|0.045895|0.037639|0.038004|0.035285|0.038935|0.037724|0.038133|0.046062|0.044783|0.500000| |1.754918|1.870819|1.680340|1.991597|3.032641|0.058598|2.245534|2.453256|4.076888|2.967266|2.625612|3.324541|4.350355|5.864312|8.896679|44.080170|4.341702|4.631801|2.892001|3.880211|16.434237|2.310771|1.956680|3.201875|2.557565|1.646579|1.595787|1.415254|1.356399|1.387696|1.556672|17.598644|17.005094|5.820296|5.074518|4.821375|4.425109|0.051699|0.045715|0.046122|0.055607|0.043753|0.047750|0.044588|0.057445|0.050883|0.064750|0.055536|0.066498|0.063316|0.096146|0.074908|0.069599|0.076918|0.068083|0.067085|0.055504|0.043864|0.045405|0.045993|0.037922|0.038344|0.034987|0.038406|0.037205|0.037150|0.044749|0.043503|0.302457|0.500000| |2.720031|3.082136|2.610368|3.434041|5.523712|0.099438|3.908888|4.103590|7.814813|6.223449|5.641810|5.224085|6.112419|8.897921|6.200551|29.484639|4.418824|4.732245|3.357243|5.252502|18.383365|2.308501|1.959747|3.335109|2.446855|1.582897|1.488981|1.332809|1.281913|1.340858|1.500118|5.504119|12.308630|8.873841|17.517479|5.526410|7.387507|0.080829|0.068606|0.068937|0.094967|0.065837|0.074993|0.067064|0.102271|0.082270|0.116723|0.088925|0.102751|0.098573|0.227484|0.131787|0.139361|0.186151|0.065785|0.064747|0.051153|0.043280|0.042333|0.041760|0.036404|0.035594|0.033248|0.035631|0.036632|0.035928|0.042107|0.042923|0.123062|0.130277|0.500000| |2.626954|3.004577|2.587113|3.576454|5.797362|0.101173|4.616057|4.877843|9.167816|5.745785|5.308355|5.928651|6.626984|8.896512|5.829656|29.028550|4.590625|4.961863|3.604450|5.800113|19.563832|2.410713|2.040184|3.487259|2.525363|1.630974|1.513826|1.355801|1.318405|1.394136|1.567669|4.958556|10.173478|8.799376|17.567707|7.127297|6.566052|0.076733|0.068185|0.065436|0.088341|0.066773|0.075063|0.064978|0.109280|0.088133|0.148961|0.103084|0.129036|0.109074|0.171900|0.121139|0.120545|0.181672|0.066837|0.068823|0.052607|0.044475|0.042565|0.042501|0.036956|0.035980|0.034142|0.036693|0.038017|0.037592|0.044132|0.045326|0.122335|0.111347|0.302324|0.500000| |1.770105|1.969444|1.822607|2.182269|3.198685|0.059328|2.478497|2.555455|4.046531|2.755822|2.654528|3.021710|3.571173|4.676194|4.856789|25.314225|3.200363|3.619038|2.456015|3.491936|14.387378|1.935332|1.683773|2.832992|2.172818|1.427464|1.355161|1.226212|1.205594|1.256067|1.395877|6.031287|12.857400|8.839072|5.480349|17.574186|6.878186|0.050486|0.046726|0.045961|0.057543|0.047785|0.053514|0.047359|0.066053|0.056330|0.076480|0.061538|0.071804|0.062876|0.082740|0.066829|0.067726|0.083343|0.054014|0.056945|0.046160|0.038274|0.037762|0.038776|0.033008|0.032936|0.031354|0.034091|0.033803|0.034234|0.040082|0.039777|0.190671|0.130804|0.123882|0.142542|0.500000| |2.013774|2.283667|2.098316|2.622216|3.867461|0.069926|3.093543|3.133039|4.956242|3.241188|3.183542|3.538093|4.012993|5.117788|4.609068|24.310150|3.375511|3.833391|2.693701|3.984053|15.618771|2.029877|1.761253|2.996453|2.235734|1.466128|1.373930|1.243417|1.225043|1.289480|1.436890|4.806511|10.077957|8.813719|6.680556|17.558823|7.048884|0.057181|0.053312|0.051483|0.066130|0.055086|0.062100|0.053526|0.081096|0.067531|0.099616|0.075525|0.088894|0.074430|0.094560|0.076372|0.078451|0.103427|0.055865|0.059411|0.046982|0.039577|0.038221|0.038999|0.033643|0.033177|0.031857|0.034432|0.034888|0.035165|0.040969|0.041368|0.137394|0.106005|0.142657|0.206250|0.301391|0.500000| |1.882673|2.072768|1.880084|2.346806|3.567738|0.066228|2.860953|3.086697|5.023550|3.223230|2.958324|3.933028|4.905083|6.614428|6.676227|33.357190|4.306241|4.669043|3.116693|4.428548|17.534472|2.334496|1.981935|3.310059|2.526094|1.632754|1.530998|1.369660|1.346311|1.414470|1.594468|6.876356|12.059810|8.697283|6.895970|17.580553|5.497754|0.054356|0.049960|0.048286|0.059943|0.049615|0.054490|0.048431|0.070091|0.060829|0.088017|0.070091|0.088618|0.074677|0.096161|0.077295|0.073363|0.091589|0.064633|0.069652|0.053787|0.043621|0.042564|0.043833|0.036793|0.036535|0.034765|0.038048|0.037978|0.038457|0.045874|0.045719|0.216917|0.137927|0.139101|0.184181|0.300993|0.302385|0.500000| |2.288310|2.631868|2.377312|2.798227|4.053949|0.073998|2.842670|2.801525|4.627122|3.609598|3.717505|3.175085|3.584495|4.739331|4.331105|22.114880|3.000711|3.403782|2.389698|3.552278|13.968217|1.821666|1.593252|2.717588|2.034093|1.341453|1.280022|1.161519|1.123579|1.164802|1.284373|4.910909|13.381797|8.840429|6.879051|5.523492|17.574489|0.065516|0.057953|0.059900|0.081811|0.059627|0.070455|0.062412|0.085869|0.068273|0.086406|0.068503|0.072934|0.069554|0.116136|0.084991|0.099884|0.122648|0.051853|0.051495|0.042672|0.036580|0.036269|0.036083|0.031667|0.031279|0.029357|0.031382|0.031761|0.031416|0.036226|0.036503|0.116585|0.122523|0.220491|0.159043|0.141888|0.141971|0.122812|0.500000| |2.332963|2.751924|2.524644|3.064199|4.358696|0.077289|3.185835|3.038189|4.880461|3.576268|3.824998|3.239517|3.534018|4.514420|3.935821|20.666290|2.908841|3.342527|2.393488|3.618797|14.064137|1.809073|1.587873|2.727051|2.015591|1.332472|1.259796|1.146694|1.118686|1.169000|1.289515|4.216421|10.292128|8.804020|6.908793|6.829008|17.540066|0.065655|0.059969|0.060135|0.083304|0.063946|0.076502|0.064726|0.097992|0.075395|0.102038|0.076553|0.080671|0.073232|0.107832|0.082785|0.097800|0.133056|0.050598|0.051517|0.042074|0.036353|0.035424|0.035472|0.031270|0.030740|0.029249|0.031239|0.031889|0.031699|0.036381|0.036929|0.107802|0.100431|0.187768|0.193860|0.165600|0.207800|0.140658|0.299675|0.500000| 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