Version2.0 2020-01-12T11:12:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN(CCCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)CCC)C(=O)N C08881234 RHF 6-31G(d) (6D,7F) CCCCN(CCCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)CCC)C(=O)N C01[X(C26H39N4O4S2)] 219 C1 626 CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC[NH+](C2)CCC)CCCC CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC[NH+](C2)CCC)CCCC CCCCN(CCCC)[S](=O)(=O)c1ccc(cc1)C(=O)Nc2sc3C[NH+](CCC)CCc3c2C(N)=O InChIKey=ONWTUTBHLOBWJI-UHFFFAOYSA-O InChI=1S/C26H38N4O4S2/c1-4-7-15-30(16-8-5-2)36(33,34)20-11-9-19(10-12-20)25(32)28-26-23(24(27)31)21-13-17-29(14-6-3)18-22(21)35-26/h9-12H,4-8,13-18H2,1-3H3,(H2,27,31)(H,28,32)/p+1 InChI=1/C26H38N4O4S2/c1-4-7-15-30(16-8-5-2)36(33,34)20-11-9-19(10-12-20)25(32)28-26-23(24(27)31)21-13-17-29(14-6-3)18-22(21)35-26/h9-12H,4-8,13-18H2,1-3H3,(H2,27,31)(H,28,32)/p+1/fC26H39N4O4S2/h28-29H,27H2/q+1 CCCCN(CCCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)CCC)C(=O)N C01[X(C26H39N4O4S2)] 219 C01 626 CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC[NH+](C2)CCC)CCCC CCCCN(S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1SC2=C([C@@H]1C(=O)N)CC[NH](C2)CCC)CCCC CCCCN(CCCC)[S](=O)(=O)c1ccc(cc1)C(=O)N[C@@H]2SC3=C(CC[NH](CCC)C3)[C@@H]2C(N)=O InChIKey=ZVXWZHPWTJVHGP-ZEQKJWHPSA-N InChI=1S/C26H41N4O4S2/c1-4-7-15-30(16-8-5-2)36(33,34)20-11-9-19(10-12-20)25(32)28-26-23(24(27)31)21-13-17-29(14-6-3)18-22(21)35-26/h9-12,23,26,29H,4-8,13-18H2,1-3H3,(H2,27,31)(H,28,32)/t23-,26-/m1/s1 InChI=1/C26H41N4O4S2/c1-4-7-15-30(16-8-5-2)36(33,34)20-11-9-19(10-12-20)25(32)28-26-23(24(27)31)21-13-17-29(14-6-3)18-22(21)35-26/h9-12,23,26,29H,4-8,13-18H2,1-3H3,(H2,27,31)(H,28,32)/t23-,26-/m1/s1/f/h28H,27H2 4200.1435748312 -2319.3144966 1-A 39744.5374 143 483 626 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1881.53 1895.59 1907.63 1914.64 1961.31 1977.59 1989.26 1993.42 2007.78 2031.48 2038.04 2042.73 2046.03 2083.92 2088.87 2094.90 2096.74 2102.84 2104.76 2120.53 2139.13 2174.73 2184.43 2186.72 2196.73 2201.13 2219.56 2234.24 2251.04 2254.40 2256.69 2258.70 2262.02 2262.81 2275.83 2285.97 2295.33 2317.93 2341.38 2350.97 2352.09 2353.35 2353.87 2355.34 2362.87 2363.73 2365.34 2365.71 2368.42 2369.92 2376.62 2378.87 2385.31 2386.94 2395.13 2414.52 2489.55 2537.53 2588.38 2598.30 2606.78 2831.53 2842.20 4582.85 4593.65 4601.84 4606.41 4610.38 4611.64 4615.06 4625.06 4626.62 4629.78 4630.71 4655.79 4666.39 4680.49 4681.12 4693.75 4694.19 4695.21 4699.17 4704.11 4705.88 4711.13 4718.49 4728.14 4754.48 4756.70 4780.22 4784.26 4786.74 4799.21 4806.20 4854.84 4904.57 4921.50 4926.20 5302.66 5430.29 5545.84 5586.25 0.687858 0.724194 0.725139 0.612885 -2318.626638 -2318.590302 -2318.589358 -2318.701611 3.764984D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2020 DUDE CCCCN(CCCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)CCC)C(=O)N C08881234 RHF 6-31G(d) (6D,10F) C1 535.241275 |X|Y|Z| 56.524195 45.798535 185.611206 78.324336 17 6 7 16 14 2 1 |36.858105| |12.467208|36.858105| |7.477449|12.448299|36.858105| |4.879458|7.516185|12.465060|36.858105| |3.765694|4.937875|7.581195|12.977364|53.358707| |3.331877|4.112991|5.747549|7.552421|17.638891|36.858105| |2.829479|3.466503|4.314010|5.748332|10.345237|12.475273|36.858105| |2.494350|2.910184|3.458602|4.104666|6.724857|7.516605|12.449499|36.858105| |2.163224|2.497418|2.827171|3.330603|5.134073|4.882166|7.485300|12.466251|36.858105| |3.131779|3.844751|5.250935|7.069906|16.021628|7.119035|5.414191|3.920008|3.203210|388.023441| |2.587491|3.067408|3.933278|5.015595|10.517651|6.704721|5.787212|4.303455|3.546122|94.790257|73.516695| |3.136361|3.906631|4.937858|6.634804|10.490781|5.008672|4.291851|3.223678|2.786414|94.766673|13.579879|73.516695| |3.153517|3.599046|4.889378|5.226005|9.437860|5.303655|3.949380|3.207926|2.638033|75.811096|13.187072|13.167434|36.858105| |2.776715|3.048836|3.992101|4.117772|7.377104|4.943398|3.734980|3.216574|2.623918|49.212014|11.553077|8.859254|13.735278|36.858105| |2.616992|2.748866|3.441700|3.348869|5.470996|3.764288|2.983912|2.682437|2.244426|33.535627|7.897680|6.856451|7.962428|13.782296|36.858105| |2.729018|2.799177|3.412010|3.202009|4.909279|3.239590|2.619299|2.342159|1.997369|29.767621|6.620477|6.616173|6.892013|7.929409|13.706712|36.858105| |3.081682|3.205617|3.921448|3.648591|5.399263|3.336547|2.691895|2.340041|2.004734|33.562353|6.896534|7.946892|7.964130|6.860749|7.917094|13.701154|36.858105| |3.363043|3.724694|4.822701|4.731869|7.220277|4.082893|3.207477|2.671740|2.262460|49.314223|8.941259|11.701118|13.749871|7.903356|6.858970|7.924383|13.769887|36.858105| |2.414392|2.399514|2.795410|2.595210|3.855293|2.630733|2.200221|2.022664|1.755850|22.418758|5.171851|5.145863|4.475979|5.089295|7.745221|12.756710|7.512855|5.019788|36.858105| |2.254121|2.221390|2.569227|2.384499|3.553357|2.506721|2.113388|1.984472|1.724093|20.095487|4.761143|4.544460|3.821958|4.534118|6.732791|8.044650|5.301968|4.010576|15.932166|73.516695| |2.279063|2.246295|2.538358|2.362881|3.417450|2.300249|1.966215|1.803531|1.591000|19.934601|4.573669|4.781717|3.774872|3.969421|5.231501|7.818200|6.541263|4.456014|13.830369|15.123093|53.358707| |2.034917|1.978728|2.182792|2.032404|2.902885|1.986998|1.730020|1.609742|1.436389|16.579865|3.867635|4.009841|2.969174|3.123595|3.917800|5.078056|4.467697|3.380280|7.793094|12.159198|18.835501|36.858105| |1.886517|1.831342|1.980745|1.856139|2.615129|1.782660|1.575169|1.465546|1.322237|14.914794|3.482948|3.687910|2.579217|2.638383|3.142726|3.908412|3.712774|2.947985|5.126160|8.160843|10.613695|13.938171|36.858105| |1.713686|1.650017|1.764320|1.652251|2.317756|1.602964|1.430312|1.346357|1.222351|13.000267|3.068764|3.201140|2.191936|2.261581|2.651569|3.137819|2.952794|2.439169|4.002650|6.915586|7.092594|8.182331|13.182786|36.858105| |1.701508|1.632126|1.754606|1.636797|2.310101|1.618616|1.440767|1.368080|1.238259|12.830989|3.050301|3.110197|2.169022|2.285705|2.717009|3.150474|2.857917|2.367258|4.140086|7.680315|6.796760|7.730895|8.226634|14.217501|36.858105| |1.892653|1.822469|2.001734|1.856946|2.659130|1.869456|1.636978|1.552224|1.386926|14.813445|3.516928|3.518117|2.589031|2.808627|3.509459|4.146039|3.512589|2.809834|6.132660|12.484094|9.511473|10.959742|7.362066|7.390194|10.959992|388.023441| |1.544489|1.476701|1.573569|1.471526|2.070453|1.467356|1.318997|1.265170|1.152493|11.365079|2.725231|2.750384|1.879537|1.984354|2.310369|2.582143|2.358841|2.014594|3.228637|6.149860|4.933678|4.841919|5.062602|7.541369|12.717950|48.010960|36.858105| |1.416444|1.360000|1.437098|1.354625|1.897588|1.340796|1.216758|1.166131|1.070634|10.449112|2.512477|2.555775|1.701620|1.774941|2.026497|2.249942|2.102827|1.825167|2.713474|5.006882|4.191998|3.959503|4.494579|6.756661|7.793482|33.275836|12.699978|53.358707| |1.378454|1.334150|1.415800|1.344769|1.894199|1.338200|1.217410|1.166113|1.072397|10.510855|2.541959|2.571208|1.711293|1.791113|2.045699|2.259997|2.102754|1.828352|2.721454|5.005377|4.214902|3.964280|4.530276|6.563422|7.152680|32.377957|9.357790|25.686483|0.500000| |1.459189|1.395711|1.463119|1.374747|1.908227|1.335211|1.211362|1.153139|1.059650|10.517226|2.504963|2.602315|1.708466|1.752347|1.983470|2.237761|2.145202|1.860591|2.660672|4.747023|4.234837|3.986116|4.912001|7.644778|6.866355|30.075170|7.723290|17.201519|0.258529|36.858105| |1.559588|1.501115|1.582701|1.490632|2.073541|1.435482|1.296098|1.223007|1.120405|11.576002|2.741964|2.882183|1.902820|1.938682|2.209089|2.549706|2.465504|2.104460|3.063601|5.289838|5.148116|5.047485|7.241175|12.643409|7.667006|33.651808|6.347223|10.363986|0.203672|12.513153|36.858105| |1.302018|1.247891|1.310208|1.237071|1.727998|1.229852|1.124080|1.084674|1.000991|9.433597|2.279137|2.305441|1.514130|1.578825|1.778202|1.937404|1.819119|1.607028|2.277685|4.236644|3.405977|3.049655|3.323982|4.426666|5.000102|25.493934|7.585072|17.222049|0.258400|7.645455|4.971480|36.858105| |1.242282|1.196396|1.262010|1.197455|1.683705|1.208638|1.108263|1.076526|0.994973|9.180544|2.238141|2.226987|1.468447|1.547775|1.742604|1.864993|1.728808|1.537795|2.183634|4.140089|3.179080|2.783966|2.907887|3.653520|4.271382|23.923933|6.211803|10.216249|0.196880|4.927074|3.797708|12.488009|36.858105| |1.142561|1.099959|1.152944|1.096496|1.536108|1.106637|1.021701|0.996591|0.926147|8.328538|2.035414|2.024771|1.315502|1.380252|1.533484|1.625294|1.520816|1.370792|1.862445|3.508494|2.680841|2.280598|2.374766|2.865407|3.206316|18.939371|4.223909|6.698156|0.130467|3.819065|3.031307|7.585528|12.444255|36.858105| |1.888922|1.848615|1.981319|1.872921|2.614088|1.754624|1.560313|1.437710|1.304212|15.079328|3.491886|3.824617|2.568580|2.541443|2.921893|3.626308|3.697143|3.001444|4.298045|6.570186|8.484419|7.475935|12.797130|7.431587|5.131814|33.511482|3.755182|4.920406|0.102291|4.152912|6.110963|2.824085|2.474754|2.089378|36.858105| |1.806632|1.755843|1.849734|1.745794|2.405191|1.616773|1.450239|1.339599|1.223139|13.705023|3.171680|3.511875|2.274128|2.225829|2.498341|3.015281|3.132402|2.638163|3.444062|5.427679|6.236838|5.341466|8.110726|6.497680|4.511975|27.708865|3.523694|4.843059|0.099073|4.360362|6.508019|2.825627|2.420977|2.071952|15.915619|73.516695| |1.954518|1.950085|2.116154|2.030890|2.861150|1.894230|1.680974|1.532158|1.387583|16.953904|3.913391|4.348786|2.922651|2.848055|3.247464|4.086053|4.305087|3.478958|4.576258|6.667727|8.934723|6.401492|7.820580|5.099224|4.030449|29.061252|3.094007|4.023718|0.084894|3.234196|4.321358|2.398940|2.171225|1.862031|13.853958|15.053976|53.358707| |17.534520|8.773920|6.772480|4.507351|4.943145|3.153941|2.646175|2.331073|2.022472|22.483593|4.601088|5.679854|3.335191|2.915211|2.803907|3.015702|3.483715|3.717678|2.672908|4.375715|3.465830|2.258723|2.091130|1.883195|1.859998|14.746104|1.672079|2.079812|0.041195|1.583966|1.704128|1.394690|1.322025|1.209554|2.099134|3.565178|2.949295|0.500000| |17.560406|8.782298|5.458543|4.054442|4.345899|2.870584|2.528677|2.260171|2.003985|19.353853|4.083190|4.935590|2.704456|2.406473|2.285707|2.387760|2.676248|2.883818|2.152976|3.591763|2.808668|1.870432|1.757351|1.610499|1.593628|12.416931|1.457496|1.833182|0.036360|1.393192|1.482090|1.244899|1.185706|1.096291|1.770222|3.043462|2.478332|0.301770|0.500000| |17.540232|8.774032|6.776195|4.502250|4.968782|3.392883|2.859614|2.582809|2.217477|21.256671|4.485844|5.137327|3.047212|2.768725|2.629414|2.699217|2.952726|3.163884|2.411427|4.072532|3.052621|2.013728|1.850916|1.694970|1.702499|13.566145|1.554962|1.929013|0.038234|1.449087|1.536958|1.307741|1.253763|1.154221|1.826062|3.094239|2.552102|0.301572|0.301780|0.500000| |8.866407|17.515865|8.852948|6.904883|6.304872|4.090363|3.613527|3.067902|2.661280|25.036059|5.178628|6.281192|3.179415|2.763478|2.480959|2.477193|2.763226|3.179475|2.150307|3.587677|2.736926|1.791182|1.664099|1.513676|1.503303|11.874961|1.372485|1.726524|0.034605|1.296625|1.385399|1.171510|1.128321|1.042562|1.674935|2.838211|2.397034|0.172999|0.213118|0.210773|0.500000| |8.861241|17.514667|8.850904|6.928193|6.256301|3.694488|3.212814|2.672357|2.344720|27.104498|5.358573|7.353460|3.508956|2.908656|2.625249|2.713347|3.180051|3.738407|2.328264|3.788535|3.020578|1.955699|1.830721|1.642127|1.607588|12.636572|1.450396|1.831266|0.036737|1.389765|1.503059|1.232293|1.176927|1.082491|1.876283|3.185162|2.714041|0.210718|0.212956|0.172954|0.304050|0.500000| |6.872865|8.845880|17.528703|8.860225|9.313781|5.055670|3.782888|3.087593|2.550545|39.258138|7.104273|9.363908|5.806985|4.522615|3.959406|4.079755|4.942727|6.234432|3.246515|5.173968|4.003434|2.476017|2.227806|1.955050|1.934543|15.841316|1.712417|2.118402|0.042568|1.590730|1.736765|1.406491|1.347872|1.223383|2.233287|3.675849|3.268202|0.203740|0.140426|0.169248|0.173613|0.211196|0.500000| |6.863096|8.849706|17.521921|8.838495|9.491047|6.253215|4.497409|3.753391|2.977475|33.675775|6.704469|7.407787|4.592494|4.024552|3.506102|3.381824|3.696451|4.336397|2.806111|4.688377|3.400640|2.162830|1.943767|1.746661|1.758613|14.397457|1.586682|1.959262|0.039317|1.454115|1.560800|1.317114|1.275325|1.165840|1.912916|3.166893|2.751732|0.168705|0.140366|0.203546|0.211807|0.173621|0.303954|0.500000| |4.555235|6.934148|8.846188|17.579018|12.587575|7.324747|6.447200|4.552262|3.733956|39.089519|7.830820|9.236996|4.133234|3.474672|2.888180|2.739269|3.030510|3.739496|2.284600|3.794051|2.846985|1.829507|1.682182|1.514825|1.505882|12.049701|1.367258|1.719627|0.034826|1.279367|1.376913|1.161853|1.128354|1.038858|1.693279|2.825877|2.478029|0.111663|0.109277|0.119705|0.209503|0.173874|0.173718|0.209963|0.500000| |4.522490|6.817051|8.822116|17.662380|12.472408|5.652832|4.781935|3.511857|2.992338|49.736475|8.619627|14.477029|5.031039|3.831080|3.159583|3.100492|3.643712|4.819116|2.521958|4.065826|3.191798|2.017285|1.863558|1.650546|1.618131|12.919810|1.450313|1.829853|0.037145|1.373117|1.497462|1.225275|1.181276|1.081949|1.909815|3.177704|2.845847|0.119592|0.108290|0.110954|0.169426|0.205930|0.212447|0.173384|0.304857|0.500000| |2.986343|3.509048|4.766335|5.637793|12.391533|17.628511|8.865032|6.872311|4.543709|49.420994|13.167548|8.277994|5.784704|5.985128|4.367066|3.552066|3.510271|4.206577|2.856597|4.888390|3.326429|2.098922|1.861899|1.671728|1.698990|14.129431|1.537183|1.901957|0.038852|1.381754|1.486359|1.278774|1.262621|1.151999|1.814673|2.947778|2.671224|0.080477|0.071865|0.085187|0.094979|0.088654|0.125255|0.145341|0.145605|0.127202|0.500000| |3.739692|4.568838|6.453462|7.322916|12.568444|17.577783|8.818630|6.890198|4.541224|38.811670|8.773949|7.474101|4.629974|4.404367|3.555049|3.124807|3.202973|3.790092|2.585765|4.427182|3.074834|1.966466|1.761977|1.594522|1.618529|13.300955|1.473489|1.825677|0.036996|1.335738|1.427872|1.234042|1.211957|1.111380|1.723004|2.834050|2.501199|0.096060|0.088107|0.109504|0.128533|0.108309|0.149109|0.222281|0.207149|0.145798|0.304777|0.500000| |2.984942|3.768176|4.502323|6.249385|9.502431|8.859661|17.521692|8.851899|6.871999|34.585298|8.566840|7.449037|3.559344|3.261897|2.674912|2.418520|2.534216|3.019218|2.051026|3.485586|2.530788|1.645286|1.510854|1.374846|1.378711|11.035258|1.264696|1.594618|0.032491|1.172449|1.253278|1.084572|1.065581|0.985184|1.506696|2.507135|2.203618|0.076027|0.074858|0.082863|0.113203|0.097537|0.105685|0.126786|0.222022|0.145516|0.173911|0.210377|0.500000| |2.559021|3.103596|3.799882|5.091050|9.422647|8.913701|17.575427|8.829357|6.847945|41.448752|12.495127|8.218633|4.021876|3.787198|2.986006|2.609168|2.684533|3.223225|2.184944|3.709749|2.671783|1.724279|1.575247|1.425961|1.430357|11.522959|1.306916|1.647605|0.033786|1.205099|1.294241|1.116486|1.101540|1.014897|1.569021|2.587869|2.320159|0.067621|0.064121|0.070783|0.088177|0.082347|0.096208|0.106031|0.149871|0.126548|0.213836|0.173988|0.303242|0.500000| |2.338855|2.669588|3.203199|3.688182|6.260066|6.915558|8.852956|17.509109|8.867073|27.588731|7.923574|5.537079|3.299889|3.453918|2.875143|2.450700|2.395000|2.701262|2.119211|3.730900|2.544187|1.666799|1.507798|1.385799|1.415318|11.501387|1.309048|1.636850|0.033478|1.182407|1.253487|1.117724|1.114182|1.029413|1.469053|2.420992|2.131604|0.061692|0.058710|0.067527|0.076431|0.068331|0.081863|0.097078|0.107978|0.088785|0.207583|0.172293|0.173650|0.211451|0.500000| |2.652717|3.060459|3.595297|4.067893|6.290799|6.901695|8.837293|17.502507|8.862178|25.280698|6.577949|5.286409|3.033386|3.045694|2.597594|2.293327|2.288908|2.580575|1.998458|3.506815|2.423813|1.596500|1.452169|1.339732|1.366272|11.025786|1.267539|1.585910|0.032238|1.152270|1.216981|1.086384|1.077674|0.999016|1.418560|2.356112|2.041670|0.067934|0.066657|0.077835|0.091107|0.076337|0.087569|0.112401|0.127538|0.094704|0.170828|0.207860|0.211465|0.173337|0.303692|0.500000| |2.001384|2.259888|2.523811|2.866732|4.349517|4.054686|5.461265|8.781110|17.557311|19.703777|5.421146|4.318669|2.372314|2.401614|2.095975|1.867690|1.854741|2.057485|1.664181|2.932695|2.053276|1.372326|1.264066|1.175963|1.196391|9.511708|1.119967|1.416195|0.028938|1.026246|1.079769|0.976774|0.974426|0.909555|1.240993|2.072276|1.786720|0.052111|0.051804|0.057492|0.066763|0.058781|0.063872|0.074583|0.087879|0.071929|0.108783|0.108858|0.140435|0.140126|0.213110|0.212992|0.500000| |2.219740|2.588006|2.858710|3.390632|4.974922|4.506766|6.779774|8.775344|17.541525|21.713711|5.795253|4.867805|2.496738|2.430469|2.094666|1.895938|1.927998|2.181452|1.671196|2.902914|2.079083|1.382528|1.279717|1.184040|1.195187|9.460689|1.113248|1.411756|0.028809|1.030950|1.089665|0.970889|0.962006|0.897212|1.268479|2.124981|1.834229|0.057017|0.057632|0.062876|0.078153|0.067751|0.070593|0.082707|0.109321|0.085279|0.111395|0.119561|0.203764|0.168463|0.173022|0.210777|0.301743|0.500000| |2.025238|2.337736|2.649021|3.161024|4.961890|4.513122|6.791461|8.780534|17.547539|23.144359|6.663164|5.064557|2.641151|2.625725|2.233970|1.983180|1.991141|2.254130|1.740830|3.027837|2.154591|1.428044|1.317819|1.215919|1.228052|9.760037|1.141436|1.447804|0.029694|1.052680|1.116003|0.993361|0.988023|0.919307|1.304698|2.172937|1.899449|0.053164|0.052242|0.057035|0.068253|0.061949|0.067502|0.075981|0.096203|0.080881|0.120057|0.111460|0.169216|0.203228|0.210970|0.173024|0.301667|0.301668|0.500000| |2.569052|2.843333|3.679667|3.937931|7.355200|5.440093|4.160928|3.643818|2.923025|47.020617|13.146500|8.148055|8.913878|17.764026|8.924402|5.643297|4.950017|5.636545|4.147514|6.957917|4.530105|2.731042|2.341932|2.049672|2.087219|18.003735|1.843472|2.255681|0.046557|1.624573|1.777561|1.489101|1.472794|1.321831|2.250960|3.545478|3.393412|0.073307|0.062434|0.071937|0.073408|0.074874|0.109933|0.105383|0.095497|0.100154|0.201266|0.129776|0.097068|0.118987|0.112767|0.093729|0.074240|0.073553|0.081840|0.500000| |2.359351|2.446446|2.989307|2.912056|4.705625|3.403900|2.774615|2.579004|2.173745|27.708639|6.888698|5.742990|5.653872|8.917279|17.757039|8.933875|5.645071|4.947860|7.255122|13.332561|6.614411|3.846893|3.058466|2.642958|2.775793|26.023946|2.387777|2.823469|0.058365|1.993873|2.194377|1.827109|1.813987|1.591939|2.768283|4.219362|4.092614|0.069509|0.057887|0.066724|0.062342|0.064589|0.092636|0.086250|0.071677|0.075944|0.111117|0.090399|0.068775|0.077023|0.078085|0.069613|0.057150|0.055926|0.060092|0.214491|0.500000| |3.067999|3.104872|3.614913|3.297206|4.647021|2.891951|2.394814|2.100828|1.827345|27.844331|5.793822|6.984237|5.674096|4.946384|5.620505|8.838518|17.721521|8.993565|6.839094|8.638708|9.705100|4.891372|4.185872|3.234039|3.043266|25.889819|2.474013|3.018197|0.061245|2.307671|2.696648|1.901495|1.780679|1.562570|4.322004|6.482281|6.888051|0.098658|0.075034|0.080524|0.073918|0.087069|0.125984|0.093507|0.077209|0.093263|0.082725|0.078263|0.063707|0.066162|0.059192|0.057471|0.047179|0.049258|0.050350|0.107485|0.123797|0.500000| |3.581789|4.067682|5.093930|5.072094|7.107957|3.857406|3.122361|2.567217|2.207261|47.222688|8.258633|13.542173|8.927333|5.637800|4.948529|5.637854|8.910603|17.764683|4.079579|5.952175|5.249305|3.046383|2.752229|2.295597|2.199076|18.010191|1.886399|2.355508|0.048056|1.784261|2.017833|1.531170|1.457292|1.306953|2.884353|4.606901|4.553326|0.110707|0.085890|0.090391|0.094720|0.118725|0.184864|0.119670|0.109613|0.154417|0.105467|0.099879|0.084012|0.087309|0.070683|0.068965|0.055482|0.059990|0.061137|0.124193|0.107502|0.216814|0.500000| |2.340460|2.327361|2.619525|2.455093|3.521171|2.319918|1.988520|1.801795|1.594829|20.912166|4.721879|5.150150|3.956998|3.950747|4.926358|7.427060|7.414314|4.930567|9.262654|10.860177|26.024106|9.437517|7.278494|4.752628|4.281263|37.511731|3.209209|3.860783|0.079503|2.946648|3.644270|2.327584|2.156173|1.841252|7.056631|8.997397|11.661628|0.073086|0.058973|0.062995|0.057489|0.064785|0.085142|0.070248|0.059926|0.068769|0.067737|0.062815|0.052550|0.055439|0.051504|0.049206|0.041774|0.042722|0.044220|0.091094|0.121364|0.251646|0.121113|0.500000| |1.568615|1.485039|1.572021|1.458261|2.037482|1.447346|1.300346|1.250304|1.138506|11.061375|2.640308|2.676547|1.819427|1.911669|2.209130|2.462196|2.269928|1.950832|3.030665|5.783303|4.541890|4.282333|4.389061|6.057026|8.801034|41.501063|17.583477|12.425454|0.182487|6.876608|5.382611|7.183216|5.771815|4.186273|3.386172|5.777344|3.829498|0.047214|0.041232|0.044047|0.038365|0.040387|0.047409|0.044186|0.037733|0.039810|0.041944|0.040643|0.034737|0.035611|0.035836|0.034971|0.030777|0.030617|0.031201|0.049397|0.063165|0.066292|0.050968|0.082695|0.500000| |1.489887|1.432228|1.534248|1.442523|2.044790|1.461290|1.316566|1.270285|1.157780|11.222932|2.716437|2.694774|1.852082|1.981113|2.312350|2.531221|2.273712|1.956304|3.157696|6.197931|4.649538|4.391618|4.337497|5.756730|8.883448|45.613296|17.644453|12.350945|0.229076|5.629105|4.892668|6.909349|6.984175|4.531779|3.302386|5.430493|3.859202|0.044505|0.038985|0.041855|0.037138|0.038938|0.046150|0.043196|0.037335|0.039340|0.042762|0.040714|0.034926|0.036271|0.036685|0.035321|0.031346|0.030959|0.031877|0.051572|0.067526|0.065081|0.050567|0.083324|0.301779|0.500000| |1.509469|1.430127|1.491061|1.389300|1.916480|1.341638|1.214481|1.156955|1.061489|10.470587|2.480162|2.589528|1.699029|1.736546|1.961290|2.217519|2.137525|1.855363|2.625879|4.697456|4.135225|3.834228|4.559705|6.656080|6.372667|29.408022|7.293155|12.440742|0.182334|17.618697|8.787063|6.880040|4.539303|3.651800|3.870903|7.289548|4.134680|0.045652|0.040114|0.041731|0.036866|0.039463|0.045031|0.041249|0.035943|0.038457|0.038442|0.037490|0.032729|0.033410|0.032875|0.032247|0.028569|0.028741|0.029191|0.044665|0.054591|0.064148|0.049553|0.079784|0.213529|0.145813|0.500000| |1.360212|1.304799|1.360799|1.285471|1.780554|1.247159|1.139105|1.085972|1.003152|9.807805|2.344166|2.437623|1.574530|1.608093|1.798411|2.006843|1.940167|1.706698|2.334521|4.148580|3.663431|3.313663|4.014502|5.561769|5.003195|24.437313|5.633863|12.342237|0.217619|17.639990|8.804997|7.373596|4.754442|3.896119|3.626957|6.954115|3.965906|0.040820|0.036258|0.037454|0.033807|0.036200|0.040876|0.037496|0.033363|0.035763|0.035758|0.034609|0.030697|0.031535|0.030884|0.030114|0.027015|0.027154|0.027723|0.041653|0.050158|0.057752|0.045769|0.071955|0.144380|0.126644|0.301138|0.500000| |1.476284|1.434354|1.515111|1.441823|2.014520|1.394751|1.266358|1.194788|1.098887|11.333751|2.703776|2.830525|1.851111|1.886764|2.135866|2.438509|2.359466|2.034581|2.885393|4.960824|4.806397|4.537988|6.343522|8.887539|6.084782|29.601759|5.260866|8.954034|0.202517|8.830221|17.528690|4.578765|3.650293|2.950055|5.876072|11.052159|5.939183|0.044561|0.039010|0.040321|0.036891|0.040028|0.046023|0.041398|0.037052|0.040374|0.040169|0.038322|0.033986|0.035305|0.034055|0.032888|0.029414|0.029663|0.030522|0.048283|0.059036|0.071045|0.054282|0.096009|0.121958|0.122099|0.173428|0.219621|0.500000| |1.602071|1.535595|1.605719|1.506983|2.077382|1.428520|1.290330|1.212417|1.111772|11.570509|2.718510|2.908601|1.891777|1.899450|2.140681|2.488174|2.466752|2.115801|2.922189|4.945186|4.930627|4.610374|6.606747|8.902129|5.850394|29.144186|4.930355|7.599191|0.145852|8.954563|17.639629|4.131840|3.219605|2.682656|6.448168|14.198352|6.030693|0.048861|0.042470|0.043595|0.039257|0.042937|0.049042|0.043728|0.038636|0.042257|0.040823|0.039522|0.034824|0.035753|0.034351|0.033547|0.029701|0.030146|0.030735|0.048212|0.058298|0.076207|0.057041|0.100058|0.125915|0.109422|0.219464|0.206450|0.305538|0.500000| |1.240674|1.192360|1.246866|1.182205|1.647448|1.169796|1.074133|1.035208|0.959175|9.011603|2.178942|2.215184|1.435850|1.487523|1.660617|1.806568|1.714246|1.525412|2.093378|3.839883|3.145138|2.773599|3.084683|4.010941|4.213770|22.100025|5.597792|12.463203|0.223581|7.309619|4.817769|17.618098|8.846566|7.061759|2.718095|4.934088|3.154855|0.036858|0.033072|0.034484|0.031141|0.032841|0.037107|0.034682|0.030892|0.032653|0.033690|0.032532|0.028856|0.029702|0.029571|0.028753|0.025987|0.025888|0.026488|0.039032|0.047132|0.049900|0.040622|0.060637|0.146464|0.142363|0.174324|0.236566|0.129090|0.113924|0.500000| |1.327225|1.262831|1.319460|1.238105|1.720335|1.225112|1.118387|1.080106|0.995933|9.324203|2.242721|2.279113|1.493842|1.552168|1.743322|1.902442|1.795630|1.588730|2.226383|4.142774|3.309370|2.935470|3.165358|4.144595|4.700255|24.614755|6.990833|12.405402|0.181725|7.025467|4.577391|17.611178|8.765292|6.727880|2.703461|4.853163|3.122467|0.039539|0.035328|0.037111|0.032929|0.034576|0.039312|0.036912|0.032339|0.034006|0.035277|0.034306|0.030043|0.030741|0.030846|0.030160|0.027011|0.026883|0.027373|0.040631|0.049589|0.052298|0.042159|0.062876|0.218981|0.169472|0.207720|0.183651|0.112426|0.110846|0.301991|0.500000| |1.289644|1.239090|1.311619|1.240087|1.747735|1.259880|1.151168|1.121295|1.032777|9.493954|2.315161|2.288211|1.525621|1.619696|1.835361|1.956967|1.795119|1.591636|2.310843|4.462249|3.314847|2.900256|2.937199|3.642908|4.486127|26.097271|6.760064|9.080092|0.169518|4.468896|3.580587|8.816624|17.580620|8.877639|2.454146|4.207638|2.947674|0.038115|0.034088|0.036326|0.032456|0.033704|0.038917|0.037002|0.032450|0.033827|0.036665|0.035193|0.030675|0.031697|0.032310|0.031249|0.028132|0.027687|0.028426|0.042847|0.053475|0.051086|0.041667|0.061645|0.181499|0.235572|0.119151|0.114187|0.093583|0.084965|0.173414|0.213018|0.500000| |1.223178|1.185784|1.256012|1.198997|1.694234|1.215770|1.116589|1.083806|1.002769|9.300187|2.278376|2.255344|1.488545|1.574218|1.774392|1.892155|1.746597|1.554226|2.216181|4.195191|3.231915|2.827133|2.958658|3.673439|4.223882|23.969950|5.736692|9.522340|0.215721|4.646744|3.796664|8.857390|17.517552|8.846750|2.525579|4.349499|3.044088|0.036112|0.032374|0.034220|0.031073|0.032458|0.037275|0.035195|0.031357|0.032908|0.035379|0.033710|0.029758|0.030944|0.031227|0.030028|0.027265|0.026884|0.027744|0.041681|0.051479|0.049774|0.040825|0.060953|0.137300|0.186270|0.113479|0.125801|0.105575|0.088139|0.208919|0.173026|0.302595|0.500000| 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