Version2.0 2020-07-25T15:22:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn2cnc3c(c2=O)c(c(s3)C)S(=O)(=O)N4CCC(CC4)C C09835207 RHF 6-31G(d) (6D,7F) CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn2cnc3c(c2=O)c(c(s3)C)S(=O)(=O)N4CCC(CC4)C C01[X(C25H40N5O4S2)] 222 C1 628 CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn1cnc2c(c1=O)c(c(s2)C)S(=O)(=O)N1CCC(CC1)C CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn1cnc2c(c1=O)c(c(s2)C)S(=O)(=O)N1CCC(CC1)C CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN2C=Nc3sc(C)c(c3C2=O)[S](=O)(=O)N4CCC(C)CC4 InChIKey=DNVQLJXIEBAWSM-HXUWFJFHSA-O InChI=1S/C25H39N5O4S2/c1-4-20-8-5-6-12-28(20)13-7-11-26-21(31)16-29-17-27-24-22(25(29)32)23(19(3)35-24)36(33,34)30-14-9-18(2)10-15-30/h17-18,20H,4-16H2,1-3H3,(H,26,31)/p+1/t20-/m1/s1 InChI=1/C25H39N5O4S2/c1-4-20-8-5-6-12-28(20)13-7-11-26-21(31)16-29-17-27-24-22(25(29)32)23(19(3)35-24)36(33,34)30-14-9-18(2)10-15-30/h17-18,20H,4-16H2,1-3H3,(H,26,31)/p+1/t20-/m1/s1/fC25H40N5O4S2/h26,28H/q+1 CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn2cnc3c(c2=O)c(c(s3)C)S(=O)(=O)N4CCC(CC4)C C01[X(C25H40N5O4S2)] 222 C01 628 CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn1cnc2c(c1=O)c(c(s2)C)S(=O)(=O)N1CCC(CC1)C CC[C@@H]1CCCC[NH]1CCCNC(=O)CN1C=[N][C]2[C]([C](=C(S2)C)[S@@]([O])(=O)N2CC[C@H](CC2)C)C1=O CC[C@@H]1CCCC[NH]1CCCNC(=O)CN2C=N[C]3SC(=C([C]3C2=O)[S]([O])(=O)N4CCC(C)CC4)C InChIKey=XKPYQZMFEZOXSN-HXUWFJFHSA-N InChI=1S/C25H40N5O4S2/c1-4-20-8-5-6-12-28(20)13-7-11-26-21(31)16-29-17-27-24-22(25(29)32)23(19(3)35-24)36(33,34)30-14-9-18(2)10-15-30/h17-18,20,28H,4-16H2,1-3H3,(H,26,31)/t20-/m1/s1 InChI=1/C25H40N5O4S2/c1-4-20-8-5-6-12-28(20)13-7-11-26-21(31)16-29-17-27-24-22(25(29)32)23(19(3)35-24)36(33,34)30-14-9-18(2)10-15-30/h17-18,20,28H,4-16H2,1-3H3,(H,26,31)/t20-/m1/s1/f/h26H 4990.0187548796 -2336.5079577 1-A 17352.5928 144 484 628 |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|A|A|A| -92.29501 -92.07280 -20.64122 -20.63608 -20.63375 -20.63182 -15.81532 -15.73669 -15.68911 -15.67427 -15.66679 -11.46837 -11.45560 -11.43769 -11.41427 -11.41242 -11.40597 -11.40427 -11.39133 -11.39076 -11.37571 -11.36468 -11.35042 -11.34832 -11.34723 -11.34503 -11.34482 -11.34365 -11.34181 -11.33060 -11.31666 -11.31662 -11.30125 -11.29727 -11.29721 -11.27955 -9.26585 -9.08355 -6.95243 -6.95179 -6.95086 -6.76585 -6.76482 -6.76316 -1.56160 -1.51884 -1.49994 -1.45456 -1.43319 -1.43016 -1.34476 -1.34060 -1.33793 -1.27765 -1.22620 -1.20115 -1.17723 -1.17626 -1.15645 -1.13090 -1.11880 -1.11272 -1.10560 -1.07057 -1.05704 -1.04864 -1.02344 -1.00964 -0.99792 -0.96691 -0.96136 -0.94488 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1644.25 1656.42 1658.18 1660.34 1679.00 1687.66 1694.86 1719.83 1722.14 1774.59 1781.76 1784.60 1808.76 1820.85 1852.59 1859.31 1860.32 1865.51 1877.62 1905.08 1938.63 1955.15 1993.48 2002.44 2002.59 2015.24 2017.74 2024.39 2029.80 2042.89 2067.79 2081.74 2092.34 2099.86 2117.62 2128.35 2139.79 2141.47 2152.93 2158.81 2176.99 2185.25 2193.87 2209.54 2210.18 2212.56 2223.80 2227.31 2239.22 2240.45 2243.52 2248.89 2250.55 2258.85 2261.54 2262.78 2276.89 2286.49 2324.83 2335.89 2337.31 2340.58 2345.29 2346.56 2350.47 2356.30 2356.66 2360.68 2362.23 2364.80 2365.03 2366.26 2371.27 2372.28 2385.95 2389.38 2390.33 2408.59 2423.62 2459.83 2467.92 2610.62 2763.78 2818.55 4563.09 4578.98 4579.13 4595.81 4600.33 4601.84 4612.46 4620.84 4630.61 4633.71 4661.71 4665.53 4675.05 4679.14 4684.07 4685.55 4696.40 4696.61 4704.56 4705.77 4712.74 4717.71 4722.62 4728.55 4732.86 4740.56 4744.15 4760.22 4763.76 4771.14 4782.54 4795.93 4798.19 4803.50 4819.75 4825.55 4843.89 4920.56 5304.86 5565.53 0.706308 0.740177 0.741121 0.638758 -2335.801650 -2335.767781 -2335.766836 -2335.869200 3.433305D-04 MUNgauss RevisionA2.0 retrievium 25-Jul-2020 DUDE CC[C@@H]1CCCC[NH+]1CCCNC(=O)Cn2cnc3c(c2=O)c(c(s3)C)S(=O)(=O)N4CCC(CC4)C C09835207 RHF 6-31G(d) (6D,10F) C1 538.252174 |X|Y|Z| 70.471560 65.410462 90.043337 74.594057 28 6 7 16 21 5 2 |36.858105| |12.434191|36.858105| |7.455019|12.430865|36.858105| |6.682294|8.818250|17.645514|0.500000| |6.225391|7.428869|12.431714|0.246369|36.858105| |4.246279|4.846701|7.452632|0.191094|12.454918|36.858105| |3.555624|4.329380|6.405768|0.162153|7.572842|12.482013|36.858105| |3.764396|4.933010|7.601515|0.200150|6.562814|7.602017|12.525016|36.858105| |4.876265|7.541615|12.404425|0.252603|7.717726|6.515842|7.660975|12.633399|53.358707| |4.602940|6.934609|9.295632|0.182766|7.453363|6.133978|7.383624|9.358557|25.708234|0.500000| |4.287155|6.418653|7.352699|0.183628|4.927181|4.337848|4.985376|7.633184|17.206029|0.262350|36.858105| |3.995529|5.372235|6.042457|0.182684|4.165007|3.830135|4.189629|6.158161|10.213284|0.157574|12.503069|36.858105| |3.406321|4.282483|4.265853|0.124251|3.199365|2.938732|3.160474|4.184227|6.681054|0.116704|7.529080|12.385761|36.858105| |3.116721|3.635836|3.612210|0.110025|2.815079|2.626837|2.740611|3.463763|5.221881|0.092154|5.013762|7.722032|13.142963|53.358707| |3.445670|3.831224|3.660044|0.113971|2.852296|2.605508|2.612549|3.195715|4.899769|0.086753|4.383024|6.229682|7.908323|19.203450|36.858105| |4.191727|4.607172|4.090415|0.125471|3.114475|2.735313|2.680080|3.236057|5.210524|0.092839|4.584503|6.016760|6.969349|11.539293|15.871601|73.516695| |2.920310|3.075197|3.009061|0.094546|2.469542|2.314793|2.293618|2.709234|3.961705|0.071292|3.325934|4.401106|5.032355|10.571606|12.463696|14.307940|36.858105| |3.140281|3.168959|3.141286|0.101756|2.614038|2.452706|2.358462|2.728259|3.948144|0.070679|3.141935|4.034632|4.123819|7.414258|7.868215|12.090785|13.081473|53.358707| |3.033914|2.918098|2.813022|0.089036|2.409683|2.239523|2.116665|2.377889|3.463079|0.063291|2.693960|3.259426|3.326528|5.577456|5.579750|9.804370|7.764300|19.101579|36.858105| |3.055899|2.830513|2.750663|0.087279|2.421657|2.257368|2.088213|2.291913|3.307405|0.060806|2.488691|2.918372|2.866147|4.553042|4.262723|7.800568|5.223002|11.117251|14.972605|53.358707| |3.262526|3.014920|3.044670|0.099641|2.705127|2.557117|2.324248|2.534321|3.592091|0.065270|2.628587|3.087371|2.891023|4.481303|4.045503|7.346059|4.675420|9.883128|8.591115|19.081410|36.858105| |3.419501|3.306085|3.502710|0.119938|3.040720|2.929832|2.682069|2.990884|4.158019|0.073722|3.032445|3.696143|3.326077|5.176847|4.583237|7.998471|5.151354|10.925104|7.029773|10.653424|13.970510|36.858105| |3.319956|3.397853|3.572610|0.121629|2.963283|2.842345|2.713378|3.164961|4.444967|0.077750|3.427515|4.499324|4.181881|7.065059|6.551235|10.299808|7.900686|18.581253|7.877304|9.106472|7.934804|13.160573|36.858105| |3.181864|3.430300|3.758988|0.128795|3.067410|3.013290|2.977835|3.606825|4.920159|0.084428|3.881153|5.441933|4.891158|8.351316|6.800186|9.865673|7.281631|11.583387|5.460416|6.409916|5.369410|7.982854|15.823671|73.516695| |3.370248|3.237178|3.612103|0.125144|3.297974|3.304657|2.932160|3.156406|4.222764|0.075028|2.927540|3.421432|2.951990|4.348018|3.600602|6.374529|3.790439|6.840626|4.603984|7.098129|8.153026|13.087423|7.217145|10.766680|36.858105| |3.179384|2.920389|3.164430|0.104652|3.024944|3.008824|2.614578|2.710517|3.661996|0.066791|2.512664|2.819403|2.490010|3.617920|2.992593|5.426116|3.157519|5.549361|4.089246|6.779588|7.638259|8.127970|5.077893|7.630362|14.069664|36.858105| |3.051839|2.725588|2.781360|0.089050|2.610592|2.500060|2.214617|2.320837|3.241276|0.059947|2.292552|2.571690|2.370482|3.515918|3.009307|5.548584|3.288375|5.968547|4.972661|9.627786|11.053720|7.425946|4.846125|6.839706|7.437423|10.941763|388.023441| |2.866713|2.621341|2.870154|0.091753|2.899342|2.968075|2.535166|2.522367|3.346901|0.062204|2.247565|2.435966|2.148679|3.047263|2.449813|4.454043|2.533190|4.197822|3.100394|4.953124|4.823683|4.974441|3.664423|5.881416|7.277566|12.618775|48.873133|36.858105| |3.228459|3.294397|4.001254|0.141401|3.732243|4.067803|3.658308|3.928508|4.855818|0.084723|3.241795|3.753552|3.063165|4.326970|3.344818|5.798068|3.338422|5.421745|3.469446|4.931514|4.738816|6.684484|5.584121|10.369397|10.779596|6.933056|31.675506|5.696385|388.023441| |3.829642|4.156711|5.491864|0.214586|4.759594|5.156746|4.699119|5.443475|6.621088|0.109242|4.275806|5.050865|3.769587|5.100368|3.853873|6.753463|3.581349|5.567911|3.441520|4.685051|4.262746|5.897835|5.676546|11.478979|7.291842|5.134774|26.958308|4.310789|94.079481|73.516695| |2.975892|2.961680|3.584154|0.119556|3.633196|4.150881|3.582293|3.550574|4.325774|0.077984|2.802324|3.062686|2.546252|3.518871|2.696402|4.763775|2.682944|4.252617|2.861289|4.163271|3.887646|4.815820|4.000594|7.208915|7.379240|6.498819|29.057700|6.775843|94.538573|13.827147|73.516695| |2.615787|2.725460|3.201952|0.107289|2.955335|3.232824|3.129886|3.437453|4.172727|0.073855|2.932929|3.482174|2.968551|4.328115|3.242857|5.349298|3.378825|5.314331|3.315438|4.557551|4.157216|5.682023|5.393961|10.883314|7.119963|5.115845|26.709572|4.347178|83.056156|13.567019|13.409347|53.358707| |2.471457|2.674157|3.183714|0.104327|2.899058|3.228760|3.332488|3.797833|4.413826|0.077776|3.168197|3.807678|3.220247|4.616264|3.263782|5.253986|3.299683|4.830409|2.949807|3.899285|3.350777|4.363097|4.654503|10.399523|4.836058|3.732124|21.159974|3.298556|50.791429|11.914585|9.556087|17.632795|36.858105| |2.135962|2.293909|2.618404|0.083183|2.382198|2.581073|2.686745|3.044581|3.671887|0.066146|2.741052|3.299181|2.990873|4.446763|3.105001|4.866914|3.280355|4.650265|2.848280|3.698534|3.061545|3.808954|4.222993|9.260263|3.920817|3.173183|19.113238|2.811489|34.296769|8.005994|6.976083|10.609958|12.497582|36.858105| |1.902791|1.997031|2.246843|0.070349|2.103271|2.284579|2.331453|2.534409|3.090874|0.056763|2.268868|2.631267|2.424926|3.583075|2.570351|4.123878|2.767247|4.006024|2.569869|3.429457|2.838325|3.382319|3.512620|7.049344|3.583238|3.057671|18.490431|2.800968|29.950028|6.522265|6.610670|8.941867|7.504015|12.440814|36.858105| |1.983694|2.034513|2.272929|0.071948|2.143217|2.306092|2.274746|2.434765|3.025749|0.055540|2.190389|2.531387|2.321861|3.456683|2.574060|4.196892|2.826772|4.301499|2.822327|3.887516|3.320746|3.953116|3.839843|7.257296|4.349096|3.754400|22.143814|3.414765|34.509718|6.851844|7.695173|10.584112|6.521597|7.638950|12.442383|36.858105| |2.245117|2.288005|2.616909|0.084465|2.498714|2.736209|2.631720|2.776521|3.407014|0.061982|2.394183|2.744957|2.427920|3.539564|2.665581|4.442159|2.842007|4.446428|2.921985|4.122511|3.698972|4.585612|4.160460|7.783180|5.718543|4.793472|25.497640|4.414105|51.581002|8.877712|11.713183|17.619062|7.683410|6.541650|7.519803|12.497689|36.858105| |1.694033|1.773616|1.951751|0.060083|1.823631|1.948201|1.998891|2.172503|2.702809|0.050241|2.020553|2.328376|2.223162|3.322371|2.371416|3.779041|2.597572|3.660175|2.382815|3.143393|2.512630|2.878625|3.045667|5.984445|2.920016|2.568939|16.309912|2.361695|22.809891|5.159013|5.126562|6.016310|4.890516|7.520078|12.469350|7.522742|4.895542|36.858105| |17.554114|8.763922|6.898102|0.200972|5.760826|4.212899|3.466113|3.691293|6.162305|0.113743|4.024473|4.018858|3.400927|4.400563|3.683744|7.953091|3.194272|4.880579|3.488485|4.896192|3.957493|4.146976|3.870230|6.390349|4.091735|3.859131|26.252533|3.374622|26.647890|7.820211|6.043624|3.995411|2.695774|2.306967|2.056707|2.178659|2.498510|1.815206|0.500000| |17.595949|8.703062|6.537628|0.157623|6.681464|4.437470|3.571339|3.566748|6.036326|0.121366|3.741227|3.407345|2.916786|3.640343|2.894108|6.024696|2.521596|3.692093|2.647093|3.689499|2.916903|3.033077|2.887125|4.952516|3.095113|3.002720|20.245082|2.815111|21.488786|6.226097|5.148062|3.330031|2.308947|1.994438|1.799782|1.878951|2.136002|1.602468|0.300833|0.500000| |17.591131|8.863889|5.481743|0.140278|4.661034|3.436284|3.003650|3.204703|5.552381|0.109249|3.847629|3.636594|3.284546|4.141054|3.416200|7.580274|2.898695|4.182318|3.040048|4.133618|3.121255|3.166253|3.116891|5.242150|3.024153|2.888565|20.585628|2.596374|20.092083|5.788261|4.624796|3.214299|2.239692|1.978409|1.773123|1.846678|2.054895|1.599656|0.302529|0.302823|0.500000| |8.974891|17.601104|8.844783|0.215719|5.460209|4.048340|3.819782|4.601052|9.342970|0.167372|7.199951|6.480131|5.337035|6.026739|4.745553|10.761635|3.586099|4.894450|3.250014|4.157946|3.180651|3.497870|3.759026|6.762901|3.271845|2.895437|19.633203|2.534553|23.167607|7.296669|5.050473|3.764214|2.735405|2.381346|2.049680|2.078140|2.303435|1.833246|0.209489|0.174018|0.222749|0.500000| |8.842642|17.498175|8.821192|0.173414|6.683977|4.477853|4.163036|4.585362|9.504007|0.207953|6.041815|4.652195|3.895427|4.418076|3.322985|6.934888|2.700574|3.708022|2.535999|3.343767|2.577228|2.782423|2.869121|5.191550|2.739057|2.514256|16.841164|2.307709|20.029579|6.142306|4.608397|3.260444|2.385406|2.077597|1.823915|1.841628|2.047721|1.636286|0.172850|0.213397|0.210212|0.302350|0.500000| |5.697931|6.874161|8.845113|0.173923|17.478246|8.794964|6.727067|5.688267|9.450368|0.219800|4.644903|3.738999|2.984593|3.529303|2.601291|5.060961|2.248559|3.182890|2.177372|2.962627|2.380085|2.619145|2.583529|4.745959|2.783144|2.595242|16.382339|2.511849|21.894794|6.705058|5.373281|3.458053|2.526239|2.129202|1.895441|1.916355|2.192397|1.667478|0.136350|0.178878|0.124930|0.140325|0.201795|0.500000| |7.102912|6.862806|8.948335|0.213864|17.618793|8.878184|5.527028|4.924581|7.614751|0.148682|4.064182|3.651870|2.912032|3.599988|2.754257|5.409816|2.431778|3.582747|2.478161|3.461497|2.867904|3.161387|2.973379|5.306336|3.481706|3.296673|20.236346|3.203182|26.872441|8.150072|6.707510|3.969145|2.764577|2.285911|2.050454|2.130137|2.502984|1.779776|0.190144|0.234517|0.141862|0.141405|0.165668|0.304167|0.500000| |3.742124|4.045351|5.470091|0.140290|8.857663|17.578184|8.843782|5.528350|6.681157|0.136598|3.542362|3.151865|2.524873|3.111784|2.276777|4.245052|2.055808|2.966161|2.022935|2.800588|2.316425|2.595848|2.486999|4.621720|2.939670|2.766282|16.498106|2.820980|25.086041|7.381693|6.711710|3.904289|2.840259|2.320804|2.102332|2.131267|2.514321|1.808433|0.102282|0.113026|0.086222|0.094713|0.107812|0.215881|0.212127|0.500000| |4.090763|4.472067|6.694895|0.201220|8.861597|17.568975|8.874517|6.804600|7.682522|0.138459|4.051661|3.846439|2.942205|3.679708|2.711750|5.006636|2.451245|3.610267|2.408623|3.337605|2.848277|3.338762|3.163653|5.962930|3.937769|3.530684|19.950412|3.495406|36.820740|11.852597|9.658185|5.261490|3.753441|2.892033|2.558061|2.619054|3.211105|2.136475|0.119345|0.115779|0.092288|0.107639|0.109966|0.173429|0.217558|0.302998|0.500000| |3.362356|4.106877|5.576239|0.133174|6.719047|8.800242|17.500314|8.867635|9.382379|0.217029|4.695693|3.757602|2.950040|3.443183|2.402114|4.410493|2.103414|2.908447|1.938788|2.597282|2.090175|2.362832|2.400555|4.631745|2.536548|2.303647|14.216944|2.247009|21.575696|6.647347|5.317417|3.618788|2.824153|2.358328|2.072605|2.016977|2.288532|1.810477|0.088312|0.095448|0.080339|0.100067|0.116166|0.194543|0.138424|0.215503|0.173553|0.500000| |3.011747|3.517332|4.836450|0.131062|5.503006|8.796755|17.575505|8.971052|7.598296|0.147886|4.141084|3.699531|2.875391|3.473732|2.420021|4.332839|2.170766|3.042676|2.006257|2.702133|2.217618|2.565508|2.585536|5.080684|2.844094|2.541826|15.149085|2.500695|25.994289|8.007766|6.532798|4.389961|3.509762|2.810534|2.456801|2.368152|2.746960|2.089211|0.083215|0.084030|0.072151|0.088934|0.093697|0.137930|0.123711|0.208638|0.216312|0.303644|0.500000| |3.206819|4.127711|5.566386|0.146802|4.901374|5.507590|8.785164|17.613453|12.364783|0.220665|7.399395|5.879107|4.218112|4.658386|3.047600|5.372822|2.588121|3.459559|2.211630|2.871400|2.295943|2.681165|2.892228|5.925419|2.777829|2.402367|14.885366|2.241302|24.130515|7.893286|5.470183|4.273763|3.593912|2.986290|2.475082|2.322884|2.580917|2.153289|0.086697|0.084481|0.078415|0.111164|0.110848|0.127112|0.108068|0.123384|0.139440|0.214403|0.212710|0.500000| |3.718190|4.675226|7.097743|0.223541|5.869235|6.889445|8.823269|17.657624|12.388337|0.182448|6.802267|6.730948|4.396853|5.154972|3.512189|6.189255|3.010455|4.190061|2.627460|3.443346|2.850995|3.483703|3.715644|7.778378|3.726029|3.083686|18.304454|2.815660|35.027821|13.380263|7.512601|5.795235|4.798629|3.633562|2.935446|2.818924|3.276129|2.454641|0.105845|0.096062|0.087869|0.125269|0.114725|0.133745|0.131548|0.140146|0.201566|0.173445|0.214085|0.299898|0.500000| |4.673099|7.325212|6.791322|0.161173|4.640415|3.857987|4.191751|5.611285|12.400897|0.232415|17.663749|8.818879|7.093133|6.507248|4.346351|8.546339|3.249518|4.147177|2.671416|3.351937|2.550895|2.861417|3.203759|6.205126|2.720553|2.382860|15.854361|2.134092|20.567422|6.523133|4.510009|3.546990|2.744110|2.424314|2.047952|2.000124|2.171380|1.847999|0.116464|0.111066|0.120663|0.246814|0.205871|0.126935|0.109620|0.090251|0.099141|0.114111|0.097385|0.149865|0.140377|0.500000| |3.497492|4.838955|5.494385|0.138925|4.199574|3.930111|4.817500|7.216816|12.466412|0.231444|17.596590|8.778593|6.572761|6.085115|3.771002|6.757124|2.968256|3.767019|2.391248|3.012064|2.324229|2.658337|2.993350|6.068402|2.589934|2.246979|14.593563|2.040395|20.650237|6.584716|4.546401|3.692869|3.007051|2.651545|2.200051|2.086486|2.250250|1.978034|0.091445|0.087892|0.088995|0.144131|0.134406|0.113968|0.096795|0.091695|0.100982|0.131342|0.114778|0.233773|0.169754|0.303658|0.500000| |3.431015|4.361639|5.227763|0.163331|3.896035|3.843572|4.368373|6.622331|8.989120|0.141008|8.818604|17.582783|8.830872|9.268068|5.363724|8.627248|4.166666|5.266089|3.093673|3.804192|3.008128|3.686276|4.501694|10.358774|3.499021|2.838018|17.967487|2.467062|28.878793|9.834464|5.803992|5.353390|4.582971|3.898662|2.987277|2.797950|3.027106|2.603492|0.097646|0.083951|0.086267|0.135597|0.107088|0.096281|0.094822|0.087872|0.109825|0.105993|0.111414|0.183888|0.220648|0.173415|0.215546|0.500000| |4.712019|6.211266|6.941282|0.236578|4.534839|4.037006|4.117084|5.706663|9.598635|0.146569|8.870806|17.665745|8.922866|10.021016|7.120777|13.084550|4.953766|6.541991|3.813136|4.653772|3.682720|4.524772|5.562361|11.652276|4.094085|3.291588|21.259251|2.765138|30.942943|10.796580|6.107636|5.222091|3.980723|3.366523|2.708053|2.681859|2.967640|2.366755|0.137669|0.107599|0.116585|0.215210|0.137352|0.108780|0.113777|0.091392|0.116032|0.100473|0.100405|0.139622|0.182499|0.205214|0.173696|0.304945|0.500000| |3.636767|4.608485|4.225441|0.118256|3.167327|2.814345|2.969111|3.793658|6.394794|0.116159|7.095069|8.786246|17.630484|12.626224|7.295857|13.377133|4.637535|5.242590|3.242633|3.818050|2.776569|3.092275|3.756277|7.334577|2.741424|2.366509|16.347759|2.054766|19.710812|5.960727|4.183428|3.580646|2.776549|2.582170|2.154141|2.093518|2.195916|1.989987|0.098203|0.085369|0.100407|0.167525|0.119020|0.083741|0.080784|0.067872|0.077056|0.078586|0.074107|0.104821|0.106864|0.221461|0.168341|0.173530|0.206392|0.500000| |2.917092|3.609620|3.671606|0.104610|2.882516|2.718208|3.007497|3.946293|5.991759|0.108489|6.585075|8.740185|17.591947|12.576960|5.805297|9.027495|4.220267|4.732872|2.869007|3.408179|2.524416|2.876053|3.531732|7.371273|2.608245|2.228168|15.036253|1.956212|19.607140|5.905985|4.152199|3.734651|3.055919|2.907039|2.360469|2.213980|2.281000|2.194108|0.080152|0.071299|0.078348|0.118535|0.094704|0.075986|0.072449|0.065704|0.074987|0.079178|0.077290|0.116499|0.112726|0.168780|0.185641|0.215839|0.174305|0.302900|0.500000| |2.772545|3.181732|3.275121|0.100683|2.627675|2.523673|2.660319|3.342630|4.786413|0.084758|4.416389|6.589316|9.087073|26.041253|9.501080|10.970657|7.459335|7.190328|3.914209|4.383130|3.208424|3.766079|5.219947|11.733056|3.191084|2.632768|17.975797|2.223185|23.022883|6.648951|4.649176|4.616452|3.730796|3.727223|2.925368|2.759875|2.765661|2.733075|0.080516|0.067394|0.074468|0.103328|0.079562|0.067045|0.068599|0.061309|0.072920|0.067802|0.070177|0.093097|0.103363|0.112930|0.113975|0.186062|0.171307|0.181173|0.224784|0.500000| |2.716718|2.808835|2.679408|0.082137|2.237675|2.084264|2.059197|2.389738|3.519955|0.064598|2.941100|3.692906|4.318017|8.377966|8.937319|12.453338|17.628208|12.502552|7.569466|6.844207|4.202404|4.287026|5.746468|9.209227|3.257717|2.831113|21.718722|2.313523|20.255969|5.347780|4.203988|3.900970|2.789227|2.804708|2.440536|2.501439|2.492406|2.338920|0.081534|0.065606|0.076668|0.090551|0.069717|0.057388|0.061629|0.052043|0.060701|0.053130|0.054155|0.063819|0.072268|0.081788|0.073833|0.096056|0.112571|0.116671|0.103725|0.160633|0.500000| |2.591345|2.761040|2.780584|0.087096|2.318479|2.224330|2.239444|2.649555|3.760437|0.067809|3.155518|4.185815|4.783885|10.111242|8.722369|10.408707|17.652491|12.440118|5.986894|6.013168|4.133502|4.687868|7.090089|13.235573|3.599297|2.981268|21.491602|2.427242|23.430858|6.192809|4.702569|4.792483|3.544264|3.692639|3.061033|3.053945|2.971849|2.922297|0.077984|0.063290|0.070660|0.087587|0.068286|0.058768|0.062879|0.055043|0.065645|0.056956|0.059699|0.071395|0.082373|0.083801|0.080225|0.116011|0.124950|0.117171|0.117393|0.236457|0.301063|0.500000| |2.794377|2.696584|2.548835|0.078672|2.195517|2.032603|1.939201|2.172236|3.185825|0.058984|2.512421|2.990210|3.168024|5.323124|5.269696|9.314591|7.324469|12.554199|17.750706|12.802115|5.933769|5.037263|5.681113|7.869259|3.656609|3.349344|28.738612|2.662116|20.705673|5.199855|4.383575|3.841903|2.582404|2.539170|2.309727|2.491730|2.533349|2.188605|0.086873|0.068077|0.079581|0.083918|0.066317|0.055965|0.062442|0.051384|0.059876|0.049926|0.051053|0.056785|0.065627|0.070252|0.062601|0.078216|0.094476|0.087583|0.076841|0.102938|0.240903|0.157146|0.500000| |3.132288|2.835893|3.158032|0.100503|3.302472|3.404432|2.802759|2.721637|3.605138|0.067214|2.359755|2.506655|2.174131|3.021609|2.408426|4.433312|2.423599|3.935818|2.869711|4.472552|4.218762|4.460833|3.428345|5.632684|6.362247|8.877703|39.146397|17.627627|40.386857|8.071872|13.028847|5.571006|3.217259|2.684007|2.626180|3.086514|3.987434|2.211307|0.102542|0.087204|0.077211|0.074469|0.069242|0.078466|0.103884|0.090744|0.113213|0.068637|0.076355|0.066211|0.083774|0.062183|0.059296|0.070187|0.079060|0.057992|0.054945|0.060751|0.061440|0.064215|0.069163|0.500000| |2.672212|2.404962|2.562194|0.080091|2.595387|2.610987|2.249351|2.232734|3.003380|0.056503|2.037390|2.190039|1.968082|2.797716|2.259975|4.134342|2.354039|3.876518|2.956074|4.812472|4.499846|4.291543|3.244983|5.156637|5.535490|8.920065|49.838267|17.597875|30.825194|6.228793|8.719263|4.828285|2.804137|2.469000|2.486565|3.001513|3.666910|2.153123|0.086520|0.073439|0.068511|0.064756|0.059476|0.063680|0.079994|0.069892|0.083004|0.056302|0.061436|0.055692|0.068052|0.054406|0.051618|0.061046|0.068504|0.052816|0.049957|0.056500|0.060771|0.062407|0.071609|0.300962|0.500000| |2.543518|2.390222|2.651956|0.084262|2.688332|2.837122|2.475078|2.452668|3.180212|0.059209|2.143421|2.327393|2.057242|2.920674|2.308571|4.123386|2.402727|3.913768|2.838926|4.417071|4.177436|4.462364|3.434360|5.675489|6.430195|8.857828|38.428126|17.639311|40.889650|7.388081|13.193703|6.402764|3.499714|2.991056|3.075376|3.861646|5.190514|2.554466|0.081244|0.069480|0.064233|0.064463|0.059100|0.065156|0.080614|0.075361|0.093138|0.060820|0.069180|0.061155|0.076423|0.056043|0.054711|0.066594|0.072210|0.054171|0.052599|0.059972|0.060832|0.065168|0.068336|0.303706|0.301170|0.500000| |2.735560|3.046826|3.697036|0.123493|3.231455|3.552410|3.750383|4.558425|5.252353|0.089965|3.835626|4.836224|3.903723|5.519714|3.800998|6.048565|3.686401|5.272893|3.122408|4.036839|3.432055|4.545372|5.162257|12.584770|4.808410|3.636276|21.024551|3.148591|49.307977|14.236900|8.837865|12.502299|17.713249|8.864795|5.496112|4.923182|5.635784|4.075782|0.082555|0.069968|0.068419|0.087656|0.074732|0.077577|0.083908|0.084395|0.113618|0.087179|0.107218|0.119268|0.168716|0.089742|0.099985|0.171724|0.139578|0.090826|0.101701|0.124374|0.084734|0.109336|0.075852|0.086815|0.074786|0.089726|0.500000| |2.346732|2.543725|3.071376|0.098310|2.895448|3.354491|3.525986|3.870353|4.317834|0.077189|3.013694|3.450967|2.900753|4.020363|2.820844|4.637520|2.799478|4.050756|2.549088|3.411297|2.905012|3.632085|3.740329|7.942145|4.142654|3.373203|19.073294|3.135232|44.261485|10.546972|9.550184|12.301615|17.491636|8.825792|6.716624|5.681224|6.862252|4.490289|0.070226|0.061894|0.058833|0.070972|0.063894|0.070460|0.076123|0.082996|0.108685|0.082491|0.107458|0.102635|0.133790|0.072367|0.080915|0.114630|0.098149|0.070433|0.077703|0.088773|0.067228|0.082397|0.062899|0.086717|0.074269|0.093811|0.300632|0.500000| |2.190386|2.346032|2.624163|0.083761|2.338952|2.466518|2.543307|2.926643|3.650182|0.065526|2.793763|3.466838|3.239406|5.046009|3.550264|5.404207|3.904900|5.491388|3.259450|4.129694|3.371799|4.231948|4.989958|11.276138|4.080866|3.253256|20.197848|2.789503|32.901652|7.796620|6.477409|9.533212|8.929350|17.538996|8.834031|6.865424|5.741818|6.910990|0.066038|0.056158|0.056843|0.068783|0.058690|0.058172|0.062662|0.061370|0.076112|0.062504|0.072280|0.079517|0.096375|0.069286|0.074269|0.112213|0.099316|0.077138|0.086555|0.120711|0.090934|0.127051|0.080297|0.073171|0.068645|0.080887|0.219173|0.174148|0.500000| |2.026000|2.206755|2.517820|0.078442|2.292962|2.495653|2.673195|3.053280|3.636193|0.066002|2.749618|3.271005|2.998791|4.370427|2.948381|4.610918|3.038285|4.144516|2.555711|3.286818|2.660675|3.224600|3.619051|7.935581|3.280092|2.722774|16.729685|2.456866|28.423535|7.039441|6.004279|7.682008|8.929532|17.526071|8.809404|5.529424|4.894111|6.846350|0.059878|0.052704|0.052304|0.063693|0.056205|0.057599|0.060356|0.062511|0.076228|0.065801|0.078383|0.085675|0.099610|0.067142|0.075607|0.109328|0.089558|0.071420|0.083248|0.102900|0.073020|0.095423|0.064473|0.066152|0.060664|0.072002|0.212584|0.216622|0.302001|0.500000| |1.833526|1.927900|2.189516|0.067887|2.086902|2.310179|2.374292|2.531521|3.031475|0.056080|2.191608|2.483321|2.262677|3.261385|2.324038|3.784271|2.443051|3.516931|2.287715|3.080045|2.549295|2.999625|3.055777|6.085191|3.266658|2.849986|17.049525|2.700286|28.310260|6.219559|6.593288|7.940435|6.863626|8.917134|17.478689|8.922608|6.878078|8.921123|0.054681|0.048639|0.047272|0.054367|0.049255|0.052408|0.056322|0.059593|0.071866|0.058637|0.070784|0.068979|0.080834|0.054810|0.059556|0.078407|0.070372|0.056162|0.061624|0.073025|0.060424|0.073808|0.057507|0.071406|0.066574|0.083301|0.140283|0.200880|0.174154|0.215218|0.500000| |2.018181|2.057789|2.260966|0.071798|2.100174|2.211143|2.170171|2.351708|2.988063|0.054745|2.195734|2.575612|2.405708|3.673849|2.784016|4.490979|3.170264|4.913036|3.215886|4.407591|3.742705|4.434327|4.358418|8.008832|4.588849|3.922871|24.081909|3.408909|33.025758|6.666646|7.058945|9.485525|5.718882|6.861975|8.842956|17.525254|8.899114|6.929703|0.061922|0.052631|0.052603|0.059040|0.051520|0.052242|0.058253|0.056530|0.069220|0.053747|0.061768|0.062259|0.075358|0.056146|0.057684|0.078120|0.076528|0.060343|0.063226|0.081822|0.077724|0.096179|0.078225|0.084158|0.084363|0.104046|0.129370|0.131579|0.202316|0.140051|0.174283|0.500000| |1.815320|1.845063|2.043124|0.063766|1.956330|2.105634|2.068050|2.173727|2.713590|0.050400|1.955080|2.215738|2.050602|3.025337|2.258139|3.726138|2.471801|3.737172|2.524185|3.522401|2.966335|3.378747|3.219447|5.928232|3.729462|3.410145|20.538810|3.236617|28.657699|5.779531|6.835415|7.672549|4.884756|5.528514|8.802805|17.541557|8.930113|6.838736|0.055099|0.048189|0.047175|0.052040|0.046778|0.049011|0.054327|0.054846|0.065901|0.051453|0.060004|0.057820|0.068644|0.050034|0.052014|0.067183|0.064861|0.051981|0.054628|0.066442|0.061976|0.073462|0.062773|0.080877|0.080756|0.103647|0.108070|0.127344|0.140024|0.123434|0.215293|0.302392|0.500000| |2.142179|2.189951|2.531877|0.080480|2.479522|2.788930|2.692313|2.765517|3.324154|0.061041|2.297771|2.568792|2.255903|3.214773|2.388483|4.023666|2.488960|3.805597|2.532042|3.571333|3.142979|3.771554|3.457309|6.517771|4.708243|4.168191|22.343037|4.141737|44.945067|8.182893|11.936613|12.309254|6.848908|5.678502|6.699170|8.800214|17.537572|4.481344|0.065476|0.057370|0.054250|0.060464|0.054985|0.060679|0.068740|0.072195|0.091244|0.064968|0.079780|0.071629|0.089735|0.057756|0.060612|0.078882|0.076028|0.056955|0.059471|0.069346|0.061347|0.071886|0.061959|0.107772|0.096180|0.138684|0.141349|0.200655|0.131723|0.127208|0.200221|0.173667|0.216152|0.500000| |2.281393|2.271208|2.557986|0.082518|2.461602|2.648994|2.482133|2.586221|3.248894|0.059437|2.272364|2.583070|2.302368|3.368424|2.598125|4.398658|2.800048|4.512291|3.061608|4.473045|4.135015|4.976320|4.177199|7.337731|6.578741|5.921050|30.095470|5.496904|50.290109|8.316487|12.203059|12.410855|5.616103|4.921882|5.499396|8.872969|17.618274|4.077973|0.071378|0.060478|0.058166|0.063281|0.056272|0.059972|0.069861|0.068210|0.086335|0.060395|0.070953|0.066166|0.083506|0.058044|0.058813|0.077187|0.078742|0.058681|0.059553|0.071987|0.068956|0.079773|0.073097|0.129371|0.124564|0.189837|0.127342|0.141143|0.129450|0.108025|0.140483|0.218327|0.213446|0.302705|0.500000| |1.631690|1.725494|1.899940|0.057931|1.774092|1.900294|1.981710|2.162721|2.674859|0.049938|2.014567|2.307600|2.218496|3.281009|2.293896|3.645910|2.469177|3.392468|2.201260|2.875461|2.272080|2.592482|2.786336|5.556492|2.614367|2.304511|14.723020|2.132542|20.685777|4.840656|4.674861|5.257425|4.523353|6.844765|8.779217|5.474186|4.056985|17.548532|0.048122|0.042921|0.042860|0.049590|0.044533|0.045359|0.047696|0.049036|0.057302|0.050152|0.057799|0.060448|0.067335|0.051035|0.055480|0.072229|0.064032|0.054962|0.061784|0.075467|0.062015|0.077436|0.056756|0.056252|0.054193|0.063459|0.108414|0.119164|0.171070|0.204198|0.213362|0.140924|0.140189|0.107065|0.094933|0.500000| |1.581017|1.639520|1.794621|0.054875|1.698029|1.815053|1.847190|1.974482|2.466471|0.046218|1.827899|2.072337|1.980597|2.934373|2.116946|3.421290|2.315063|3.290998|2.193279|2.935891|2.341626|2.623877|2.701754|5.162548|2.694974|2.437654|15.577713|2.287040|20.721863|4.628988|4.812720|5.256228|4.052667|5.473235|8.779243|6.849750|4.526171|17.553120|0.047012|0.041822|0.041573|0.046787|0.042195|0.043311|0.046328|0.047285|0.055183|0.046744|0.053727|0.054207|0.061296|0.046801|0.049721|0.063493|0.058712|0.049866|0.054237|0.066005|0.058754|0.071149|0.056278|0.059223|0.058512|0.069418|0.094897|0.107244|0.140704|0.140285|0.213350|0.171641|0.203987|0.118895|0.108536|0.301837|0.500000| 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