Version2.0 2020-02-28T18:38:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(nnc2SCc3nc(cs3)C(=O)NCC[NH+]4CCCCC4)c5ccncc5 C16461506 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(nnc2SCc3nc(cs3)C(=O)NCC[NH+]4CCCCC4)c5ccncc5 C01[X(C26H30N7O1S2)] 192 C1 608 Cc1ccc(cc1)n1c(SCc2scc(n2)C(=O)NCC[NH+]2CCCCC2)nnc1c1ccncc1 Cc1ccc(cc1)n1c(SCc2scc(n2)C(=O)NCC[NH+]2CCCCC2)nnc1c1ccncc1 Cc1ccc(cc1)n2c(SCc3scc(n3)C(=O)NCC[NH+]4CCCCC4)nnc2c5ccncc5 InChIKey=UDMGUONJCLYFKO-UHFFFAOYSA-O InChI=1S/C26H29N7OS2/c1-19-5-7-21(8-6-19)33-24(20-9-11-27-12-10-20)30-31-26(33)36-18-23-29-22(17-35-23)25(34)28-13-16-32-14-3-2-4-15-32/h5-12,17H,2-4,13-16,18H2,1H3,(H,28,34)/p+1 InChI=1/C26H29N7OS2/c1-19-5-7-21(8-6-19)33-24(20-9-11-27-12-10-20)30-31-26(33)36-18-23-29-22(17-35-23)25(34)28-13-16-32-14-3-2-4-15-32/h5-12,17H,2-4,13-16,18H2,1H3,(H,28,34)/p+1/fC26H30N7OS2/h28,32H/q+1 Cc1ccc(cc1)n2c(nnc2SCc3nc(cs3)C(=O)NCC[NH+]4CCCCC4)c5ccncc5 C01[X(C26H30N7O1S2)] 192 C01 608 Cc1ccc(cc1)n1c(SCc2scc(n2)C(=O)NCC[NH+]2CCCCC2)nnc1c1ccncc1 Cc1ccc(cc1)N1[C@@H](NN[C@@H]1c1ccncc1)SCc1scc(n1)C(=O)NCC[NH]1CCCCC1 Cc1ccc(cc1)N2[C@@H](NN[C@@H]2c3ccncc3)SCc4scc(n4)C(=O)NCC[NH]5CCCCC5 InChIKey=IXEXNMZJWOPASU-AZGAKELHSA-N InChI=1S/C26H34N7OS2/c1-19-5-7-21(8-6-19)33-24(20-9-11-27-12-10-20)30-31-26(33)36-18-23-29-22(17-35-23)25(34)28-13-16-32-14-3-2-4-15-32/h5-12,17,24,26,30-32H,2-4,13-16,18H2,1H3,(H,28,34)/t24-,26+/m0/s1 InChI=1/C26H34N7OS2/c1-19-5-7-21(8-6-19)33-24(20-9-11-27-12-10-20)30-31-26(33)36-18-23-29-22(17-35-23)25(34)28-13-16-32-14-3-2-4-15-32/h5-12,17,24,26,30-32H,2-4,13-16,18H2,1H3,(H,28,34)/t24-,26+/m0/s1/f/h28H 3829.5093741732 -2252.8830555 1-A 40747.8087 137 471 608 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1322.17 1347.90 1352.50 1355.70 1368.48 1373.36 1374.67 1395.62 1420.83 1439.75 1482.69 1498.65 1506.42 1550.90 1561.18 1566.55 1569.71 1574.84 1584.32 1589.71 1593.57 1600.70 1611.75 1627.01 1632.43 1675.06 1678.73 1685.31 1689.75 1691.65 1697.30 1719.29 1723.26 1762.23 1770.55 1786.93 1796.49 1813.63 1828.21 1854.18 1871.39 1874.01 1911.02 1922.27 1932.81 1947.46 1972.63 1994.33 2026.26 2033.66 2039.81 2056.35 2090.84 2095.54 2114.18 2117.34 2128.22 2133.87 2140.44 2150.62 2209.85 2212.89 2215.45 2230.61 2236.60 2255.24 2260.67 2262.50 2269.67 2288.65 2306.35 2315.32 2343.52 2345.94 2349.48 2352.60 2356.01 2357.91 2367.48 2379.11 2390.53 2410.06 2413.80 2417.16 2442.87 2482.21 2498.93 2521.11 2552.99 2560.25 2617.19 2620.94 2763.85 4610.65 4614.43 4619.86 4634.13 4665.92 4697.78 4700.84 4713.44 4718.29 4725.52 4728.65 4735.19 4735.66 4736.35 4746.69 4787.41 4837.89 4844.76 4845.75 4848.08 4850.25 4854.36 4861.49 4874.36 4880.03 4918.52 4919.77 4993.32 5299.19 5570.48 0.583063 0.614479 0.615424 0.510386 -2252.299993 -2252.268576 -2252.267632 -2252.372670 3.522992D-04 MUNgauss RevisionA2.0 retrievium 28-Feb-2020 DUDE Cc1ccc(cc1)n2c(nnc2SCc3nc(cs3)C(=O)NCC[NH+]4CCCCC4)c5ccncc5 C16461506 RHF 6-31G(d) (6D,10F) C1 520.195327 |X|Y|Z| 38.529802 57.709807 189.557875 74.977233 34 6 7 16 25 7 2 |36.858105| |12.612706|36.858105| |7.535921|13.725564|36.858105| |5.004838|7.885908|13.737902|36.858105| |4.433206|6.835782|7.958496|13.783131|36.858105| |5.017104|7.883211|6.886894|7.935967|13.738221|36.858105| |7.560076|13.669953|7.977973|6.891456|7.964932|13.797593|36.858105| |3.325745|4.516648|5.143225|7.822100|13.312971|7.812612|5.147800|53.358707| |2.845746|3.656308|3.996142|5.393675|7.493436|5.827199|4.169233|18.850779|36.858105| |2.430953|3.007858|3.271621|4.224559|5.335262|4.405002|3.356756|11.907622|14.846242|53.358707| |2.440570|3.022117|3.334821|4.347309|5.358178|4.317004|3.323517|11.894108|8.887071|19.063751|53.358707| |2.874192|3.704388|4.193962|5.846136|7.640423|5.543627|4.080960|19.065269|8.885239|12.190745|20.246648|36.858105| |2.913215|3.661887|4.168816|5.374892|5.958424|4.735209|3.848643|9.422840|4.941021|6.744536|9.564398|10.827571|388.023441| |2.282656|2.718127|2.983906|3.598288|3.938398|3.396668|2.865999|6.447397|4.028740|6.173100|9.119836|7.075689|74.190876|36.858105| |2.135776|2.467434|2.676054|3.069194|3.218612|2.883505|2.549816|4.867552|3.089239|4.550959|5.972173|4.686084|49.569759|12.701766|36.858105| |1.960455|2.225939|2.436746|2.753399|2.794337|2.495342|2.252437|4.168541|2.708221|3.980431|5.022262|3.842847|37.191788|7.792874|14.916671|53.358707| |1.842141|2.047142|2.203830|2.413972|2.430617|2.230116|2.060931|3.514157|2.303019|3.324479|4.025742|3.094909|28.914599|5.246590|8.693336|18.856004|36.858105| |1.888433|2.087010|2.201468|2.377858|2.426760|2.281496|2.123352|3.452261|2.249719|3.211137|3.852291|3.001467|28.212128|4.875501|7.843327|11.247024|14.173984|36.858105| |2.125387|2.405408|2.513847|2.765917|2.924202|2.766856|2.512782|4.207751|2.683027|3.834523|4.738857|3.775168|37.584548|6.686742|10.938562|10.192743|7.604118|11.111826|388.023441| |1.665324|1.822076|1.964582|2.122945|2.103446|1.934595|1.812401|3.015457|2.011600|2.891944|3.401930|2.580153|22.780394|3.881244|5.333063|10.491158|12.867697|7.628895|34.284155|36.858105| |1.567841|1.692191|1.804258|1.918440|1.898442|1.771853|1.680490|2.685378|1.801838|2.568198|2.965414|2.251530|19.484558|3.189016|4.179805|7.237625|8.048196|6.574868|29.670919|15.777100|73.516695| |1.617778|1.775090|1.937396|2.111587|2.074496|1.881775|1.755623|3.005527|2.026156|2.933059|3.435548|2.568929|22.026640|3.747505|4.747731|9.451020|7.953867|5.209241|27.887239|14.077730|15.146034|53.358707| |1.479905|1.602908|1.743825|1.875280|1.827114|1.668989|1.574604|2.620152|1.787662|2.568376|2.933867|2.184771|18.109566|2.940470|3.499791|6.214056|5.103991|3.891306|21.742102|7.907490|12.523803|18.070274|36.858105| |1.340795|1.445046|1.552751|1.663936|1.641983|1.518069|1.432418|2.363081|1.635391|2.363839|2.671014|1.958728|15.845248|2.602532|3.048353|5.162075|4.273947|3.472917|19.636235|6.125492|11.001733|10.565553|12.376640|36.858105| |1.249706|1.331968|1.423275|1.506071|1.478823|1.378614|1.314409|2.102996|1.458950|2.087734|2.324944|1.714696|13.741335|2.184992|2.514052|4.079698|3.381677|2.916585|16.777900|4.550553|8.950158|6.981379|7.560482|12.662312|53.358707| |1.256597|1.336293|1.434445|1.513931|1.474561|1.369820|1.310320|2.088359|1.446938|2.060656|2.286271|1.693536|13.547417|2.119321|2.411475|3.901775|3.171518|2.730135|15.947265|4.191248|8.010551|6.625357|7.522791|9.291055|25.693369|0.500000| |1.254135|1.328347|1.408902|1.477589|1.451880|1.365577|1.310805|2.044534|1.409546|2.002562|2.229100|1.660150|13.448488|2.113552|2.469116|3.940837|3.406887|3.058502|17.163671|4.574856|10.077517|6.231185|5.913930|7.624050|17.140966|0.258038|36.858105| |1.168531|1.226588|1.295777|1.346908|1.318612|1.246948|1.206048|1.843157|1.275730|1.800702|1.981110|1.477793|11.825093|1.818670|2.078229|3.227971|2.712695|2.507768|14.587838|3.403673|7.161682|4.652294|4.234109|4.964017|10.404614|0.200740|12.517555|36.858105| |1.079110|1.132409|1.192926|1.242183|1.222010|1.158158|1.117954|1.715870|1.198739|1.698266|1.855372|1.371339|10.799043|1.667419|1.873812|2.876303|2.359854|2.192339|13.085677|2.864940|5.779452|3.988351|3.548482|4.362890|8.821743|0.165936|7.559688|12.456582|36.858105| |1.077094|1.135829|1.202811|1.260633|1.240039|1.168020|1.121700|1.753626|1.231394|1.753796|1.914924|1.405051|10.975635|1.707569|1.900116|2.940576|2.361175|2.146388|12.957015|2.872009|5.565319|4.185360|3.842899|4.953334|10.400198|0.200480|6.515133|7.579111|12.454217|36.858105| |1.145024|1.217313|1.294064|1.368319|1.351101|1.265713|1.206399|1.927180|1.352097|1.940763|2.138696|1.561309|12.259336|1.947698|2.189238|3.457052|2.784902|2.467866|14.689059|3.489780|6.672232|5.244650|4.994927|7.612884|17.237049|0.259895|7.671288|6.506168|7.527837|12.496431|36.858105| |2.822946|3.542214|3.740093|4.674218|5.994332|5.300573|4.045528|10.167590|12.886638|10.654435|7.260668|5.304398|25.826344|3.070058|2.494747|3.049075|1.956188|1.921643|15.912918|1.742889|2.814655|2.392568|1.578902|1.456585|1.790319|0.036338|1.273189|1.163774|1.099115|1.128108|1.228311|36.858105| |2.424364|2.912161|2.975526|3.508684|4.305037|4.139148|3.335537|6.995115|7.726457|8.861989|6.137038|4.190128|21.643154|2.730106|2.256089|2.772884|1.798457|1.774842|14.605066|1.612855|2.621770|2.211475|1.468384|1.371848|1.691521|0.034218|1.202766|1.102464|1.047924|1.076310|1.170137|13.714794|36.858105| |2.302129|2.682143|2.696600|3.042633|3.545620|3.523197|3.017646|5.305749|5.107020|6.058936|4.638538|3.255353|17.966348|2.283528|1.943290|2.422392|1.594629|1.576819|12.766289|1.447826|2.373990|1.986845|1.334201|1.252047|1.557147|0.031572|1.108989|1.023711|0.976192|1.001745|1.082185|7.995093|13.776412|36.858105| |2.448383|2.824034|2.835972|3.125369|3.510290|3.493893|3.107048|4.961246|4.472972|5.133112|4.113182|2.993505|16.993983|2.120234|1.829261|2.298565|1.522160|1.503743|12.061731|1.390812|2.288127|1.911159|1.290847|1.206575|1.508475|0.030710|1.075894|0.997413|0.949683|0.973335|1.046880|6.848117|7.990613|14.418666|53.358707| |2.839701|3.359033|3.441483|3.831753|4.235084|4.090594|3.632423|5.768331|5.056094|5.436722|4.406312|3.323063|18.746972|2.264389|1.945945|2.443649|1.610940|1.586770|12.743647|1.468604|2.408141|2.020302|1.361258|1.261020|1.574710|0.032156|1.123471|1.040311|0.985814|1.009723|1.086460|7.998143|7.059840|8.437997|19.665149|36.858105| |3.131731|3.928323|4.189725|5.054928|5.886693|5.239067|4.302987|8.259835|7.548156|7.130735|5.605310|4.347772|23.141537|2.696604|2.261017|2.807303|1.823622|1.790189|14.572358|1.643644|2.671016|2.260919|1.506992|1.384549|1.715604|0.035013|1.222507|1.124586|1.060644|1.086908|1.176003|13.729296|8.005062|7.053181|10.870478|13.752795|36.858105| |17.556771|8.850845|5.834348|4.275458|3.973457|4.619667|6.786349|4.182575|2.633605|3.118597|3.170022|2.730266|20.190911|2.251135|2.138294|2.660787|1.858280|1.930963|15.496196|1.674761|2.820684|2.191683|1.471396|1.337207|1.700383|0.034799|1.262257|1.176828|1.084702|1.077246|1.143612|2.577317|2.254807|2.134495|3.040786|2.530502|2.774193|0.500000| |17.551541|8.856275|5.920645|4.315190|3.980526|4.584878|6.671335|4.187760|2.725011|3.162256|3.111448|2.635847|18.445615|2.083357|1.941043|2.434834|1.682360|1.720816|13.709826|1.530503|2.568922|2.032155|1.373528|1.253256|1.594466|0.032708|1.173285|1.097167|1.018523|1.018082|1.079777|2.794826|2.434034|2.361670|3.477670|2.960449|3.160984|0.302266|0.500000| |17.589616|8.837167|7.230056|4.740050|3.964573|4.167959|5.571313|4.173822|2.636581|3.107013|3.141002|2.701532|19.796584|2.200249|2.081075|2.636815|1.827358|1.858439|14.612834|1.668287|2.797150|2.216327|1.498724|1.350922|1.720208|0.035463|1.267913|1.185066|1.091790|1.089749|1.155259|2.600792|2.237254|2.131494|3.095295|2.638712|2.896942|0.301676|0.301804|0.500000| |6.973663|8.916339|17.719393|8.949835|5.664745|4.959431|5.658144|5.684059|3.396368|3.915943|4.011912|3.593116|26.187337|2.738446|2.513897|3.186486|2.137917|2.117854|16.755430|1.935645|3.173917|2.614193|1.746211|1.546606|1.940994|0.040158|1.411469|1.304258|1.198031|1.207751|1.293939|3.216536|2.622858|2.419001|3.490015|3.081513|3.622421|0.150262|0.153572|0.221460|0.500000| |4.080100|5.620922|8.891782|17.722443|8.935013|5.647428|4.962012|9.786661|5.225821|5.827275|6.111514|5.908435|38.983556|3.742641|3.175446|3.960222|2.512326|2.417849|19.605386|2.227875|3.545464|3.066769|2.000824|1.757277|2.154756|0.044408|1.539966|1.400075|1.290035|1.316764|1.433839|4.428515|3.352211|2.906406|4.049823|3.621925|4.739187|0.098826|0.099953|0.112713|0.215517|0.500000| |4.090767|5.618070|4.960184|5.649889|8.921744|17.729641|8.911246|9.779704|5.989342|6.309408|6.037958|5.394859|31.547408|3.372905|2.840943|3.314047|2.180655|2.248996|19.642702|1.885141|3.076275|2.486474|1.618556|1.486856|1.835803|0.037050|1.336545|1.219410|1.137379|1.147022|1.244568|5.504655|4.539404|3.784104|4.909237|4.029090|5.009998|0.108883|0.107767|0.095885|0.107650|0.124306|0.500000| |7.021034|8.900678|5.660681|4.961122|5.664616|8.967612|17.711096|5.685646|3.586825|4.055938|3.990622|3.465792|23.496062|2.579579|2.333801|2.815330|1.918951|1.997685|16.742133|1.695484|2.819744|2.223514|1.472907|1.351167|1.696352|0.034437|1.248445|1.153221|1.071726|1.071804|1.148669|3.574883|3.095488|2.867447|4.009888|3.333289|3.752035|0.194474|0.188013|0.140664|0.124194|0.107670|0.215793|0.500000| |2.144279|2.537861|2.829800|3.438116|3.676132|3.107790|2.637884|6.162571|4.027335|6.404632|9.494185|6.625060|56.178457|17.678305|9.043677|10.172904|4.889875|4.249932|36.370012|3.846117|5.545789|5.357511|3.094028|2.722922|3.073500|0.061110|2.138693|1.837016|1.694059|1.757707|2.019527|3.076773|2.741357|2.294112|2.897823|2.271817|2.702329|0.058094|0.054800|0.057940|0.073154|0.102775|0.085152|0.065856|0.500000| |2.198418|2.609498|2.788448|3.328123|3.796425|3.396290|2.827739|6.339549|4.137018|6.560982|9.691840|6.811776|56.438545|17.642501|8.887476|8.093623|4.475526|4.401734|44.541337|3.409182|5.135698|4.434690|2.625360|2.397111|2.767292|0.054421|1.975568|1.711472|1.584758|1.619780|1.840533|3.150659|2.870393|2.376770|2.952574|2.281220|2.699174|0.060531|0.056315|0.058175|0.070333|0.093533|0.097240|0.071779|0.302102|0.500000| |1.790049|1.947023|2.029876|2.153566|2.188628|2.090208|1.975459|3.068101|2.017716|2.855307|3.346782|2.599539|23.556903|3.852494|5.467471|7.785383|8.784876|17.812565|54.927747|6.676776|12.123113|6.220322|3.650231|3.361930|3.975241|0.075394|3.185476|2.625575|2.273923|2.179344|2.474705|1.752285|1.630029|1.462377|1.905441|1.472217|1.644723|0.051223|0.045454|0.049032|0.054564|0.060395|0.057347|0.052181|0.095362|0.099824|0.500000| |1.691760|1.876881|2.070426|2.292243|2.251503|2.012179|1.857613|3.308942|2.227010|3.251809|3.863177|2.873347|24.682469|4.308542|5.330826|11.192315|7.592819|4.944994|28.605676|9.390039|10.884154|26.030030|8.958397|5.995114|5.742201|0.114071|3.727984|2.929288|2.580725|2.739738|3.369760|1.909979|1.754464|1.565098|2.044354|1.592810|1.796342|0.046466|0.043333|0.047245|0.056839|0.068752|0.054127|0.047653|0.131100|0.101132|0.115836|0.500000| |1.488995|1.599512|1.736571|1.844930|1.782804|1.637226|1.560316|2.519698|1.708062|2.424950|2.752134|2.077502|17.357972|2.727518|3.253535|5.601118|4.767455|3.801389|20.987095|7.292082|13.186752|12.556875|17.580189|8.788653|10.105607|0.221764|6.641371|4.782170|3.746296|3.878828|4.723837|1.517539|1.408066|1.285143|1.701260|1.321600|1.459439|0.041266|0.038291|0.042090|0.048625|0.054471|0.043910|0.040620|0.078137|0.067744|0.102101|0.186583|0.500000| |1.471786|1.596501|1.750571|1.889711|1.828312|1.656743|1.561077|2.630743|1.804820|2.594535|2.945401|2.183010|17.784093|2.848289|3.258587|5.664141|4.305288|3.354217|19.754515|5.815924|9.057233|12.635279|17.606730|8.811122|8.595763|0.192200|4.765741|3.728695|3.249187|3.644857|4.617319|1.598434|1.483682|1.350229|1.782510|1.383624|1.531139|0.040378|0.038029|0.041546|0.048927|0.056581|0.044474|0.040416|0.085121|0.070405|0.086485|0.230286|0.302753|0.500000| |1.298723|1.403345|1.509852|1.626614|1.610640|1.485080|1.394919|2.337675|1.634558|2.380159|2.676693|1.937204|15.366016|2.542017|2.893831|4.827688|3.783220|3.102526|18.282473|4.959717|8.434093|8.735914|8.763389|17.634464|12.342283|0.208836|5.639099|4.164406|3.955174|4.786518|7.568044|1.458633|1.379687|1.259744|1.648560|1.261826|1.382793|0.035836|0.033856|0.036296|0.041705|0.047868|0.040514|0.036535|0.075188|0.065517|0.082255|0.154464|0.175588|0.225072|0.500000| |1.347457|1.453798|1.551601|1.663089|1.656181|1.540930|1.451059|2.387132|1.650160|2.392073|2.716133|1.989144|16.193815|2.706906|3.241943|5.473222|4.746352|3.903329|21.403565|6.901323|13.090335|10.231988|8.788331|17.692056|12.423975|0.183542|7.498831|4.747435|4.189980|4.468484|6.532682|1.465347|1.384437|1.260464|1.646849|1.261001|1.385410|0.037497|0.034972|0.037528|0.042664|0.048414|0.042148|0.038145|0.077494|0.069967|0.106413|0.158966|0.195198|0.175725|0.301410|0.500000| |1.235320|1.310446|1.382284|1.452471|1.439412|1.360351|1.302101|2.034300|1.406347|2.006132|2.235770|1.657024|13.394532|2.132539|2.504778|3.962137|3.467551|3.175075|17.699271|4.559531|10.233921|5.936693|5.164031|7.020299|12.443005|0.182146|17.618168|8.789550|6.843041|5.822075|7.117008|1.269035|1.204060|1.108822|1.458604|1.114957|1.212528|0.034625|0.032148|0.034522|0.038244|0.041837|0.037189|0.034556|0.059587|0.055951|0.093192|0.099461|0.149523|0.115839|0.150349|0.226679|0.500000| |1.340854|1.421462|1.511815|1.583411|1.548941|1.453697|1.397671|2.171379|1.483408|2.099134|2.351453|1.768272|14.566062|2.276490|2.708032|4.376548|3.902113|3.474363|18.920929|5.489805|13.034051|7.160134|6.709057|7.223762|12.296138|0.219940|17.677769|8.721359|5.476960|4.867771|5.603142|1.333785|1.252601|1.151803|1.523126|1.173487|1.282397|0.037549|0.034672|0.037724|0.042140|0.045869|0.039361|0.036881|0.063524|0.058475|0.101246|0.115143|0.236637|0.142447|0.144044|0.199428|0.303520|0.500000| |1.164457|1.217021|1.278897|1.322207|1.295832|1.232591|1.197197|1.801591|1.243941|1.749062|1.921793|1.439858|11.557439|1.764642|2.022676|3.101655|2.633491|2.496966|14.500514|3.235004|6.951067|4.255337|3.679088|4.131899|7.591877|0.146043|8.984377|17.578998|8.788951|5.504459|4.884100|1.136809|1.077503|1.001831|1.329601|1.018583|1.099736|0.032714|0.030358|0.032786|0.035741|0.037973|0.033506|0.031905|0.049024|0.046308|0.074038|0.074920|0.116024|0.089762|0.097261|0.114934|0.213249|0.212341|0.500000| |1.180307|1.236129|1.311110|1.359143|1.321100|1.245405|1.208194|1.839802|1.271376|1.787419|1.961846|1.469041|11.748889|1.785180|2.025119|3.146858|2.608281|2.393457|14.073837|3.253153|6.664007|4.550516|4.227654|4.613592|9.346642|0.211689|8.862987|17.509451|8.804451|6.748028|5.670095|1.162092|1.097378|1.020710|1.358461|1.043999|1.128264|0.032944|0.030765|0.033399|0.036857|0.039387|0.033683|0.032023|0.050268|0.046389|0.068880|0.080489|0.137419|0.106832|0.109231|0.116833|0.173051|0.211822|0.304135|0.500000| |1.060877|1.113891|1.168306|1.217443|1.204697|1.146323|1.105000|1.694604|1.186146|1.684213|1.840154|1.356166|10.661949|1.656919|1.865596|2.843582|2.345264|2.206854|13.172843|2.812363|5.712363|3.833949|3.293646|4.118967|7.671459|0.136100|6.776788|8.850153|17.530758|8.843562|6.728355|1.087454|1.040351|0.968742|1.279375|0.972946|1.045976|0.029687|0.027844|0.029711|0.032461|0.034982|0.031394|0.029503|0.046557|0.044061|0.064102|0.069054|0.094610|0.082802|0.104618|0.115877|0.200285|0.139124|0.215400|0.173381|0.500000| |1.033550|1.079403|1.134800|1.176060|1.154440|1.097066|1.063375|1.614162|1.129397|1.593703|1.731058|1.281595|10.039602|1.532797|1.706815|2.591482|2.105300|1.975652|11.964430|2.501248|4.984503|3.473212|3.031963|3.544214|6.641109|0.133127|5.509207|8.827420|17.590644|8.844581|5.500840|1.040947|0.993552|0.929162|1.233611|0.940448|1.008272|0.028864|0.027152|0.029098|0.031737|0.033879|0.029905|0.028372|0.043194|0.040554|0.056954|0.063431|0.089539|0.078828|0.091145|0.094327|0.139622|0.122770|0.209040|0.215016|0.303630|0.500000| |1.021224|1.075977|1.136172|1.190844|1.175423|1.110077|1.065509|1.665225|1.176147|1.677745|1.822069|1.330149|10.288488|1.600647|1.762612|2.697044|2.140118|1.963270|12.037969|2.539102|4.849267|3.681998|3.258271|4.124840|7.595064|0.145920|4.895986|5.503859|8.783474|17.577775|8.970973|1.081799|1.036912|0.967543|1.278392|0.971004|1.041536|0.028358|0.026901|0.028652|0.031638|0.034488|0.030369|0.028344|0.045820|0.042487|0.055276|0.068211|0.089588|0.087230|0.115850|0.106480|0.130644|0.107515|0.123105|0.138281|0.215275|0.209256|0.500000| |1.079752|1.136816|1.208153|1.264092|1.236160|1.160945|1.117335|1.743673|1.223740|1.737268|1.891835|1.391793|10.852779|1.671504|1.847188|2.859207|2.270321|2.053081|12.493029|2.749715|5.247079|4.078061|3.807273|4.595882|9.320225|0.210728|5.656734|6.747626|8.816136|17.512995|8.882136|1.123509|1.069224|0.996927|1.322710|1.010456|1.087034|0.029925|0.028350|0.030453|0.033845|0.036807|0.031556|0.029602|0.047976|0.043823|0.057515|0.074955|0.108557|0.103928|0.124468|0.110810|0.132998|0.126124|0.138376|0.195981|0.173463|0.215908|0.304091|0.500000| |1.138807|1.214299|1.295630|1.376176|1.358438|1.266835|1.203390|1.948030|1.373867|1.979769|2.176680|1.578729|12.277220|1.955823|2.167300|3.424526|2.684519|2.352942|14.265525|3.302161|6.048207|5.155847|4.897064|7.156535|12.367829|0.224131|5.602227|4.885546|5.480743|8.781360|17.624909|1.248715|1.190620|1.101101|1.448945|1.104051|1.194722|0.031468|0.029882|0.031922|0.035992|0.040238|0.034597|0.031759|0.057021|0.051304|0.064477|0.094796|0.122983|0.134248|0.235315|0.161763|0.145295|0.126387|0.107616|0.127386|0.138226|0.123228|0.212401|0.215779|0.500000| |1.133340|1.206450|1.276516|1.351697|1.344411|1.264681|1.202551|1.923353|1.352264|1.948252|2.149876|1.562874|12.256887|1.969053|2.222691|3.486316|2.831920|2.540135|15.082112|3.503024|6.759551|5.090891|4.537824|7.031543|12.431520|0.182395|7.049791|5.745744|6.741601|8.760626|17.605627|1.227035|1.173493|1.083874|1.421963|1.080687|1.169394|0.031517|0.029714|0.031635|0.035282|0.039165|0.034706|0.031888|0.056423|0.052154|0.071231|0.090932|0.117240|0.113359|0.195351|0.194255|0.216713|0.145083|0.128864|0.132085|0.196108|0.138334|0.213864|0.173087|0.301272|0.500000| |2.230221|2.653661|2.703705|3.180716|3.908632|3.780726|3.046505|6.573570|7.138357|9.668531|6.570864|4.230108|21.800207|2.854115|2.339247|2.858355|1.848773|1.827277|15.130609|1.650984|2.679608|2.259734|1.494510|1.404723|1.725236|0.034752|1.225453|1.119663|1.066729|1.096697|1.196518|8.886003|17.764934|8.899008|7.753305|5.053086|5.666453|0.058492|0.061669|0.057320|0.066603|0.085113|0.118086|0.079438|0.079641|0.085377|0.046521|0.049816|0.039618|0.041820|0.039342|0.039549|0.034220|0.035370|0.030382|0.030845|0.029503|0.028035|0.029392|0.030163|0.033832|0.033465|0.500000| |2.065677|2.358100|2.351036|2.609074|2.997777|3.020029|2.640610|4.465969|4.143341|5.224797|4.124485|2.853781|16.164943|2.104714|1.810979|2.267036|1.502555|1.489135|11.991281|1.370300|2.256358|1.878968|1.266843|1.197427|1.493079|0.030219|1.063649|0.983944|0.941949|0.966749|1.042830|5.664787|8.923320|17.715996|12.713317|5.922569|5.045211|0.053820|0.058981|0.053322|0.059243|0.069602|0.090910|0.070989|0.058758|0.061311|0.038536|0.040950|0.033871|0.035568|0.033537|0.033540|0.029612|0.030580|0.026760|0.027203|0.026018|0.024928|0.026012|0.026687|0.029482|0.029076|0.214142|0.500000| 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