Version2.0 2020-04-14T15:44:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C63383803 RHF 6-31G(d) (6D,7F) CC(C)CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C1 610 CC(CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2N1C(=O)c1c2cccc1)C CC(CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2N1C(=O)c1c2cccc1)C CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H]1CC2=C3C=CC=CC3=[NH+][C@H]2[C@H]4N1C(=O)c5ccccc45)C(C)C InChIKey=PLDUBFUPAJNCBA-SSUZURRFSA-O InChI=1S/C29H34N4O3/c1-16(2)13-14-30-28(35)24(17(3)4)32-27(34)23-15-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(23)26/h5-12,16-17,23-26H,13-15H2,1-4H3,(H,30,35)(H,32,34)/p+1/t23-,24-,25+,26-/m0/s1 InChI=1/C29H34N4O3/c1-16(2)13-14-30-28(35)24(17(3)4)32-27(34)23-15-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(23)26/h5-12,16-17,23-26H,13-15H2,1-4H3,(H,30,35)(H,32,34)/p+1/t23-,24-,25+,26-/m0/s1/fC29H35N4O3/h30-32H/q+1 CC(C)CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C01 610 CC(CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2N1C(=O)c1c2cccc1)C CC(CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@H]2N1C(=O)c1c2cccc1)C CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@H]2[C@H]4N1C(=O)c5ccccc45)C(C)C InChIKey=RBQIRVAQNYDEET-CAKRBILKSA-N InChI=1S/C29H36N4O3/c1-16(2)13-14-30-28(35)24(17(3)4)32-27(34)23-15-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(23)26/h5-12,16-17,22-26,31H,13-15H2,1-4H3,(H,30,35)(H,32,34)/t22-,23+,24+,25-,26+/m1/s1 InChI=1/C29H36N4O3/c1-16(2)13-14-30-28(35)24(17(3)4)32-27(34)23-15-21-18-9-7-8-12-22(18)31-25(21)26-19-10-5-6-11-20(19)29(36)33(23)26/h5-12,16-17,22-26,31H,13-15H2,1-4H3,(H,30,35)(H,32,34)/t22-,23+,24+,25-,26+/m1/s1/f/h30,32H 3835.2785512738 -1560.8209231 1-A 24688.5945 130 480 610 |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| -20.64348 -20.61490 -20.59358 -15.77443 -15.71512 -15.66265 -15.65302 -11.48462 -11.46411 -11.45116 -11.44472 -11.44339 -11.42910 -11.42194 -11.41655 -11.40813 -11.40468 -11.40347 -11.38888 -11.38151 -11.37410 -11.36819 -11.35557 -11.35157 -11.35070 -11.34848 -11.34636 -11.34151 -11.31811 -11.29527 -11.27641 -11.27527 -11.27179 -11.26622 -11.25630 -11.25486 -1.51466 -1.48532 -1.48263 -1.46239 -1.40703 -1.32263 -1.30785 -1.30364 -1.28431 -1.26441 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0.83081 0.84258 0.84439 0.84939 0.85830 0.86477 0.86646 0.87309 0.88069 0.88930 0.89115 0.89896 0.90333 0.91359 0.91657 0.91965 0.92631 0.93191 0.93450 0.94009 0.94724 0.94889 0.95435 0.95790 0.96230 0.96917 0.97050 0.97658 0.98035 0.99171 0.99558 0.99938 1.00253 1.00457 1.00971 1.01176 1.01472 1.02386 1.02427 1.03000 1.03675 1.03880 1.04957 1.05459 1.05515 1.06237 1.06970 1.07254 1.07841 1.08156 1.08469 1.08773 1.09231 1.09415 1.10190 1.10605 1.11210 1.11528 1.12083 1.12290 1.12544 1.12831 1.13617 1.13837 1.14677 1.14843 1.15312 1.15839 1.16458 1.16939 1.17012 1.17781 1.18266 1.18719 1.18856 1.19641 1.20423 1.20571 1.21460 1.22275 1.22538 1.23663 1.23952 1.24476 1.24786 1.25151 1.25695 1.26197 1.27081 1.28296 1.28396 1.30189 1.31105 1.31913 1.31969 1.32504 1.34753 1.35378 1.35826 1.36841 1.37717 1.38413 1.40901 1.41798 1.43345 1.44809 1.44922 1.45409 1.46051 1.48403 1.48640 1.49695 1.51667 1.52468 1.53877 1.54807 1.55175 1.56334 1.57106 1.57794 1.58708 1.59110 1.59383 1.60584 1.61318 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1439.59 1449.76 1455.00 1457.38 1477.25 1484.22 1494.40 1506.19 1510.19 1525.80 1568.68 1579.68 1583.97 1588.77 1590.54 1613.83 1615.71 1626.40 1643.97 1647.39 1656.31 1666.44 1691.93 1730.92 1738.52 1756.27 1764.98 1780.95 1792.78 1810.18 1820.83 1853.01 1862.52 1864.43 1875.52 1877.01 1893.85 1897.40 1902.73 1912.58 1928.29 1950.49 1962.14 1979.06 1989.44 2006.81 2031.97 2049.51 2057.16 2073.29 2077.55 2095.32 2110.04 2119.42 2147.74 2158.38 2160.18 2174.48 2180.23 2186.73 2193.14 2235.30 2245.90 2247.29 2254.03 2258.25 2265.19 2269.57 2275.38 2292.79 2304.83 2335.61 2342.14 2346.60 2353.04 2353.59 2360.88 2364.10 2367.88 2367.98 2374.56 2379.23 2384.88 2385.27 2454.68 2500.30 2501.51 2526.27 2581.70 2606.54 2644.18 2762.31 2803.61 2897.00 4563.42 4589.73 4599.29 4605.26 4609.84 4618.25 4626.50 4640.89 4655.63 4663.57 4669.63 4677.63 4683.54 4684.95 4693.50 4695.36 4700.37 4704.91 4705.44 4708.52 4722.65 4745.40 4789.98 4800.67 4833.23 4868.88 4877.69 4887.60 4895.46 4904.63 4905.41 4920.31 5553.41 5570.82 5593.62 0.647941 0.679810 0.680755 0.580364 -1560.172982 -1560.141113 -1560.140169 -1560.240560 3.367131D-04 MUNgauss RevisionA2.0 retrievium 14-Apr-2020 DUDE CC(C)CCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]4N1C(=O)c5c4cccc5 C63383803 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 135.104156 66.076205 45.488109 74.052074 20 6 7 18 2 |36.858105| |12.437422|36.858105| |7.570358|12.427549|36.858105| |7.575219|12.398656|7.461642|36.858105| |4.880433|7.395265|6.086586|12.458755|36.858105| |3.817023|4.929017|4.243600|7.663639|13.076518|53.358707| |3.288082|4.027145|3.744692|5.717781|7.744740|19.349365|36.858105| |3.256541|3.991242|3.986828|5.348009|6.776815|11.550917|15.781695|73.516695| |2.708337|3.125700|2.894528|4.130958|4.978109|10.618879|12.437310|14.234152|36.858105| |2.561300|2.959981|2.710534|3.824498|4.721543|9.983109|8.852939|10.680978|17.598974|0.500000| 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|1.426096|1.534595|1.542264|1.718137|1.858612|2.844134|2.420285|4.422246|2.755708|0.073103|2.627803|2.576420|2.202328|4.658311|4.090988|6.663470|5.632366|0.133329|6.552541|8.970233|6.299494|4.336894|3.596360|3.640282|4.438942|6.398649|12.423372|0.208959|17.540176|0.500000| |1.633503|1.782628|1.819647|2.012456|2.202564|3.371992|2.980169|5.701829|3.304062|0.084160|3.018698|3.043810|2.437834|5.976279|4.937344|7.151656|7.672030|0.197702|6.325834|7.580795|5.472339|3.953407|3.309444|3.330142|3.983293|5.481199|10.189373|0.177033|12.209015|0.244790|36.858105| |1.660876|1.828028|1.891616|2.048732|2.263460|3.416247|3.012584|5.899922|3.215207|0.082059|2.854752|2.880899|2.331817|5.768934|4.552096|6.563560|6.815809|0.208213|5.522900|6.676965|5.410051|4.019928|3.427095|3.480012|4.154324|5.550322|9.616064|0.168868|8.760164|0.173796|17.568025|0.500000| |1.792087|1.967421|1.977364|2.275585|2.514755|3.989961|3.656781|6.865486|4.312666|0.107106|3.887843|3.830669|2.981370|8.576880|7.538133|9.829989|13.151852|0.259112|7.743980|6.910247|4.761713|3.688120|3.019342|2.899085|3.271028|4.282883|6.951424|0.122679|7.866262|0.193300|13.153062|0.251437|53.358707| |1.808041|1.951903|1.939831|2.268399|2.436223|3.870221|3.523328|6.523697|4.231791|0.102756|4.207120|4.371878|3.171225|7.756299|6.315030|8.944477|7.517052|0.160020|5.582363|4.975257|3.707655|3.001202|2.537935|2.467278|2.766557|3.467578|5.639391|0.105706|5.842580|0.168818|8.098760|0.165736|18.686253|36.858105| |1.882350|2.020509|1.970201|2.382665|2.537723|4.121411|3.748116|6.650960|4.779149|0.114964|5.162121|5.282461|3.746703|8.310891|6.710876|10.043467|6.438734|0.137242|5.032622|4.193945|3.231218|2.726378|2.316373|2.220071|2.430740|2.963945|4.611707|0.087017|4.513679|0.133393|5.465535|0.123159|11.292525|16.026336|73.516695| |1.683577|1.795785|1.809407|2.041347|2.151132|3.298628|2.914189|5.534362|3.275156|0.080785|3.295305|3.583609|2.623891|5.566295|4.289241|6.450097|5.148813|0.123585|4.292609|4.332931|3.424459|2.752830|2.403116|2.420018|2.785958|3.443005|5.903960|0.117567|5.707529|0.169751|8.112335|0.166367|11.354724|12.833364|14.027248|36.858105| |1.598540|1.717316|1.754574|1.926150|2.053382|3.101243|2.712096|5.223395|2.961826|0.074435|2.849737|3.015140|2.322036|5.071697|3.955357|5.941412|5.161516|0.131691|4.439473|4.974959|3.986002|3.081480|2.704881|2.792819|3.335084|4.235564|7.870684|0.159987|7.476958|0.201298|12.607511|0.242098|11.220054|8.148624|9.707452|13.792913|36.858105| |1.487596|1.584384|1.632480|1.747159|1.840273|2.719814|2.324341|4.491024|2.468084|0.062719|2.397082|2.560943|2.012575|4.041466|3.082129|4.786081|3.804693|0.101461|3.456381|3.965629|3.452092|2.746657|2.505069|2.673142|3.238802|3.898122|7.202488|0.164314|5.648156|0.154568|7.247426|0.177879|7.068055|5.215734|7.127389|7.932181|13.797279|36.858105| |1.454600|1.529097|1.570030|1.678385|1.736856|2.549971|2.155820|4.141371|2.279218|0.057807|2.279745|2.489466|1.937840|3.614544|2.708908|4.288244|3.156521|0.083276|2.889326|3.169606|2.801056|2.313640|2.135786|2.263640|2.667785|3.086742|5.336873|0.120594|4.169223|0.120703|4.965662|0.123668|5.620665|4.532556|6.611694|6.964505|8.033145|13.706856|36.858105| |1.516938|1.582730|1.607661|1.751963|1.793792|2.655163|2.251933|4.287302|2.412456|0.060629|2.489374|2.780949|2.103382|3.779618|2.808951|4.469224|3.152392|0.081050|2.847873|2.982324|2.583256|2.164173|1.977227|2.050466|2.359618|2.734933|4.577464|0.098897|3.768584|0.112763|4.489075|0.108599|5.632318|5.016817|7.594791|8.044060|6.913682|7.858800|13.695421|36.858105| |1.635402|1.715615|1.724361|1.932864|1.989803|3.006572|2.598541|4.909354|2.865568|0.070988|3.005723|3.388624|2.463355|4.576673|3.418079|5.360168|3.798420|0.094091|3.322506|3.342119|2.782926|2.315951|2.070479|2.102095|2.394277|2.840838|4.725714|0.097692|4.177439|0.126981|5.185065|0.119035|7.140643|7.369363|10.918667|13.789008|7.887791|6.758654|7.897375|13.741431|36.858105| |17.553236|8.770300|6.932722|5.492770|4.030121|4.373283|2.818696|5.015676|2.366413|0.062754|2.337165|2.441853|2.471261|2.857927|1.839736|3.119981|1.677254|0.047764|1.494748|1.389227|1.303249|1.263005|1.180772|1.136212|1.159844|1.242696|1.738791|0.034289|1.372810|0.036961|1.515903|0.042951|2.238721|1.652675|3.037058|1.552818|1.485584|1.393686|1.364658|1.415410|1.512310|0.500000| |17.544944|8.750643|5.487631|6.922037|4.586771|5.125603|3.193881|5.445120|2.701738|0.071831|2.741642|2.836549|3.030388|3.149146|2.013532|3.447005|1.794126|0.050493|1.595214|1.461808|1.359070|1.314935|1.219644|1.166830|1.191296|1.285453|1.801447|0.035379|1.437903|0.038931|1.585797|0.044464|2.380561|1.775099|3.318750|1.643798|1.551393|1.439626|1.410608|1.478347|1.600399|0.301736|0.500000| |17.527144|8.770789|6.835377|6.841541|4.482920|4.991789|3.297689|5.942329|2.729474|0.070334|2.762549|3.009329|2.893719|3.261425|2.058789|3.451922|1.861638|0.052639|1.633232|1.510351|1.400207|1.341436|1.245276|1.200780|1.235622|1.335909|1.887949|0.037247|1.505269|0.040637|1.685137|0.047492|2.515090|1.882512|3.484126|1.765142|1.666522|1.554399|1.529833|1.604035|1.728309|0.301699|0.301420|0.500000| |8.932900|17.482659|8.911337|8.904058|6.897639|6.335584|3.696330|6.337387|2.941072|0.079594|2.750440|2.727198|2.924732|3.446627|2.184619|3.709123|1.951094|0.056237|1.725743|1.579520|1.480121|1.446346|1.341417|1.273979|1.290755|1.389534|1.926358|0.037557|1.531475|0.040861|1.690190|0.048173|2.531046|1.831125|3.368416|1.680389|1.615931|1.492059|1.434963|1.478743|1.599516|0.213593|0.213425|0.173668|0.500000| |5.480553|8.702143|17.559289|6.685427|6.675363|6.143170|3.982044|7.644395|3.019411|0.079106|2.695573|2.752739|2.648328|3.740982|2.333689|3.829031|2.147987|0.063611|1.862169|1.730819|1.627358|1.578365|1.467360|1.404060|1.430984|1.540667|2.142648|0.041821|1.692255|0.044469|1.904724|0.055521|2.812657|1.994403|3.572061|1.850701|1.812414|1.680287|1.598947|1.623704|1.742567|0.141778|0.122282|0.138977|0.213336|0.500000| |7.005500|8.788063|17.552664|5.454311|4.623136|4.696975|3.089767|5.793045|2.486971|0.065486|2.329066|2.422327|2.343071|3.090490|1.970518|3.277653|1.827516|0.053269|1.610945|1.510061|1.425483|1.382736|1.295839|1.248755|1.274120|1.362205|1.899635|0.037388|1.490080|0.039547|1.661662|0.047989|2.429632|1.752734|3.154639|1.651507|1.609556|1.512062|1.460353|1.490306|1.583888|0.211512|0.142212|0.172047|0.212146|0.302795|0.500000| |6.785941|8.770305|17.527506|6.804958|5.463022|5.567581|3.812728|7.527286|2.946917|0.074923|2.760383|2.978847|2.696382|3.660330|2.268570|3.698430|2.094821|0.061038|1.804187|1.684336|1.569445|1.501411|1.395105|1.347759|1.388538|1.500915|2.116721|0.041644|1.677806|0.044461|1.909846|0.055174|2.820527|2.048106|3.684250|1.925740|1.861180|1.735753|1.677086|1.722252|1.844973|0.168180|0.138946|0.200436|0.173503|0.301586|0.301621|0.500000| |6.832060|8.817740|6.845929|17.519731|8.894061|9.452363|6.024862|10.719376|4.318116|0.105843|4.182324|4.549893|4.212127|4.840195|2.860969|4.678959|2.487148|0.070658|2.100824|1.895269|1.724934|1.639404|1.494811|1.426485|1.471952|1.619280|2.295475|0.044705|1.870448|0.050057|2.138645|0.060324|3.304695|2.452932|4.584286|2.216776|2.072036|1.876701|1.812461|1.905659|2.111261|0.139786|0.168555|0.202133|0.173981|0.166539|0.140462|0.204438|0.500000| |7.149146|8.861486|5.477418|17.508182|8.912825|9.701415|5.215237|8.143274|4.079283|0.107465|4.028259|3.969201|4.585618|4.384855|2.685782|4.571611|2.291455|0.064450|1.989268|1.776500|1.627124|1.569018|1.431916|1.354194|1.382773|1.513290|2.120810|0.041160|1.724578|0.046456|1.921648|0.053740|2.973228|2.202816|4.178425|1.972245|1.844541|1.671007|1.613476|1.696180|1.878740|0.144142|0.216072|0.175569|0.212455|0.137467|0.123182|0.140579|0.303174|0.500000| |4.571745|6.818972|5.520944|8.818316|17.563406|12.582659|5.858272|9.070225|4.267083|0.119530|3.605383|3.305394|3.766548|4.738681|2.914847|4.936721|2.502403|0.073007|2.173977|1.935715|1.796491|1.763043|1.606859|1.499837|1.512034|1.648526|2.269166|0.043565|1.832781|0.048424|2.028531|0.057950|3.118160|2.204038|4.072308|1.954983|1.881498|1.696578|1.599839|1.643500|1.810368|0.108932|0.122550|0.111472|0.208601|0.172346|0.123700|0.129799|0.173775|0.210489|0.500000| |4.427975|6.616963|6.650907|8.789548|17.667430|12.640853|7.414272|13.691934|4.682540|0.120502|3.807733|3.700831|3.629004|5.464258|3.205964|5.166750|2.808508|0.083694|2.353393|2.115871|1.948901|1.880334|1.708943|1.609936|1.641965|1.803061|2.509117|0.048226|2.032557|0.053117|2.316239|0.067195|3.559596|2.491793|4.518348|2.219837|2.148361|1.930559|1.808697|1.849356|2.038594|0.105397|0.110736|0.116431|0.166978|0.228551|0.136759|0.170066|0.213723|0.173904|0.302822|0.500000| |3.566525|4.399986|3.676698|6.431110|9.004534|26.081608|9.454568|10.877396|7.484610|0.224110|5.988141|4.701498|6.646687|6.727598|3.969373|6.881718|3.105508|0.087216|2.647433|2.254106|2.031247|1.969810|1.753901|1.620544|1.642976|1.828260|2.535853|0.048208|2.110632|0.056371|2.339288|0.065072|3.773018|2.712311|5.220812|2.300703|2.152105|1.889032|1.777839|1.858402|2.107220|0.084141|0.101521|0.093926|0.120193|0.106501|0.085860|0.097224|0.157413|0.189898|0.225760|0.181614|0.500000| |2.335822|2.533229|2.330787|3.181695|3.415880|6.162166|5.522439|8.190049|9.063417|0.214444|17.574493|8.933476|8.963651|10.076338|6.637237|11.928649|4.529093|0.108971|3.739295|2.983758|2.494054|2.287694|1.973008|1.837056|1.918916|2.226484|3.215994|0.060754|2.867285|0.080403|3.210192|0.082106|5.768700|4.739796|11.136992|3.565704|3.021439|2.504653|2.377954|2.618167|3.222613|0.057330|0.066147|0.066485|0.066297|0.065451|0.057254|0.066621|0.093952|0.091479|0.084888|0.088727|0.130801|0.500000| |3.340759|3.582682|3.256871|4.832822|4.570139|7.592247|6.828938|11.476936|6.555171|0.138320|8.734307|17.551868|6.833127|7.140219|4.008597|6.380746|3.294268|0.087751|2.670044|2.335013|2.034089|1.872672|1.669638|1.594506|1.675515|1.896730|2.762333|0.053566|2.349704|0.064278|2.760004|0.074326|4.558601|3.671649|7.410553|3.149347|2.736355|2.377910|2.318669|2.552956|3.010464|0.078333|0.092309|0.100651|0.087063|0.087662|0.077078|0.098097|0.166216|0.133978|0.103059|0.118451|0.140850|0.173465|0.500000| |2.645515|2.740232|2.513327|3.430834|3.318101|5.447792|4.689730|7.756635|5.441685|0.123374|8.842679|17.560285|6.902883|6.431358|3.990221|6.613622|3.284389|0.083452|2.740160|2.379530|2.045954|1.867169|1.658391|1.586761|1.676079|1.909162|2.807090|0.054596|2.420275|0.068158|2.789794|0.072478|4.663080|4.038557|8.863800|3.421657|2.835511|2.445931|2.430931|2.770638|3.374467|0.064030|0.074777|0.078689|0.069035|0.068008|0.061661|0.074342|0.108817|0.098772|0.079926|0.086565|0.109198|0.216710|0.301896|0.500000| |2.596825|2.800107|2.676088|3.514757|3.597104|6.001862|5.882263|10.638195|6.824125|0.139110|8.749775|17.595080|5.478540|9.252237|5.171222|7.716510|4.274775|0.108784|3.289431|2.842988|2.392505|2.139243|1.878999|1.801168|1.923300|2.228622|3.323607|0.064118|2.929513|0.080707|3.584507|0.093333|6.303133|5.498973|11.706343|4.414162|3.602237|2.987238|2.885859|3.253889|4.091632|0.063259|0.071083|0.077061|0.070139|0.074210|0.064830|0.080282|0.113193|0.095388|0.084641|0.098414|0.113017|0.212076|0.301412|0.302627|0.500000| |3.414069|3.688925|3.062125|5.134493|5.014394|9.170464|6.187299|8.402629|6.523875|0.169948|8.712694|6.862391|17.553271|6.033893|3.678369|6.503678|2.883011|0.076804|2.482165|2.121750|1.882166|1.789722|1.596838|1.496049|1.537290|1.718830|2.432028|0.046749|2.045054|0.056163|2.269644|0.061219|3.698883|2.851419|5.794338|2.422135|2.173070|1.908380|1.843261|1.987958|2.292012|0.079624|0.101707|0.095097|0.095769|0.082998|0.073600|0.085263|0.145664|0.170005|0.122280|0.114704|0.219486|0.173645|0.203634|0.170908|0.139839|0.500000| |2.660846|2.899574|2.511372|3.730741|4.005308|7.445417|5.300454|7.183996|6.888179|0.217648|8.732195|5.473030|17.527165|6.425718|4.232651|8.168958|3.157481|0.082131|2.798373|2.315552|2.040959|1.957902|1.725731|1.592993|1.624365|1.826314|2.557907|0.048646|2.173567|0.060069|2.349244|0.062570|3.886363|2.961966|6.134766|2.447073|2.200682|1.910585|1.825359|1.959130|2.274895|0.064548|0.078338|0.073013|0.078273|0.070028|0.061705|0.069126|0.102433|0.116293|0.104281|0.095857|0.190287|0.212012|0.139660|0.140632|0.122294|0.300091|0.500000| |2.671479|2.780377|2.418823|3.523807|3.475665|5.953482|4.480944|6.591934|5.455349|0.144980|8.832527|6.862067|17.567470|5.628038|3.691010|6.797576|2.895241|0.074326|2.553275|2.166551|1.900768|1.793051|1.593593|1.495648|1.544129|1.735956|2.473925|0.047637|2.101928|0.058993|2.298586|0.060491|3.777384|3.031600|6.454821|2.552467|2.232738|1.951411|1.905434|2.093339|2.451094|0.064526|0.079094|0.075667|0.072970|0.065772|0.059787|0.068236|0.102130|0.110193|0.087897|0.085166|0.135597|0.218137|0.168366|0.206040|0.140529|0.303136|0.302667|0.500000| |2.408105|2.761691|2.745632|3.411727|4.004026|6.937042|7.857433|15.635935|9.131039|0.184244|6.256694|5.908674|4.291175|26.015520|9.356142|10.803419|7.455941|0.211509|4.701453|3.869866|3.182394|2.825638|2.404791|2.252581|2.390926|2.839819|4.146687|0.076799|3.746196|0.095743|4.797971|0.133052|9.190919|5.931253|10.402879|4.416507|4.092008|3.244703|2.872660|2.975790|3.584729|0.059739|0.064701|0.068765|0.071243|0.080871|0.066147|0.080117|0.102826|0.088498|0.095591|0.117278|0.124476|0.161638|0.147944|0.126109|0.198135|0.111364|0.110301|0.101769|0.500000| |1.574684|1.717706|1.686732|1.969458|2.188650|3.501843|2.994859|5.164340|3.709578|0.103589|3.415914|3.038715|2.823088|6.432012|6.932380|12.947147|8.845926|0.174390|17.562893|8.959057|5.824818|4.750033|3.589729|3.191211|3.396862|4.425597|6.238148|0.106045|6.534484|0.186761|5.513144|0.127898|9.374725|5.778146|9.849782|4.364653|4.263043|3.338269|2.872199|2.904065|3.446510|0.040414|0.043468|0.044301|0.046189|0.048912|0.042818|0.047876|0.056465|0.053970|0.057455|0.061316|0.071164|0.109887|0.073918|0.078796|0.091846|0.069534|0.079827|0.073979|0.118188|0.500000| |1.609161|1.784979|1.763585|2.038438|2.331326|3.720833|3.145605|5.405684|3.776215|0.109801|3.219143|2.806745|2.719495|6.533231|6.891381|12.760765|8.753123|0.214723|17.643497|8.894423|6.809769|6.284941|4.361175|3.586224|3.613766|4.592473|5.853438|0.097979|5.456695|0.135970|4.808259|0.125446|7.642628|4.352289|7.326134|3.476786|3.583444|2.921893|2.493255|2.456711|2.810172|0.041420|0.044227|0.044793|0.048483|0.051933|0.044730|0.049521|0.057539|0.055373|0.062034|0.065977|0.075404|0.098357|0.070430|0.071119|0.083360|0.068370|0.078510|0.069391|0.120102|0.302614|0.500000| |1.377459|1.518911|1.523078|1.679327|1.898997|2.884412|2.332785|4.104113|2.584174|0.074794|2.269478|2.061426|2.017278|4.127621|3.654323|6.587919|4.392778|0.126368|6.022943|6.571908|8.720083|17.746591|9.014696|5.590695|4.817886|5.498732|5.831734|0.098131|4.427089|0.108519|3.631624|0.101507|4.888096|2.947883|4.876180|2.630963|2.857516|2.517096|2.154633|2.052350|2.223964|0.036015|0.037708|0.038153|0.041688|0.045027|0.039287|0.042503|0.046944|0.045417|0.051568|0.054315|0.058280|0.066900|0.053461|0.053232|0.060542|0.052293|0.058150|0.052318|0.080796|0.138866|0.208296|0.500000| |1.204910|1.317651|1.336453|1.424504|1.585972|2.334021|1.849811|3.307099|1.971556|0.056266|1.771512|1.655011|1.608683|3.044549|2.526132|4.469678|2.937249|0.085827|3.524425|4.103327|5.629966|9.038498|17.757892|8.778048|5.583730|4.926415|5.012413|0.089875|3.352698|0.083831|2.818624|0.081043|3.589663|2.258278|3.724298|2.132168|2.357301|2.197992|1.907413|1.781892|1.863340|0.031861|0.032865|0.033365|0.036285|0.039451|0.034930|0.037272|0.039758|0.038405|0.043381|0.045638|0.046930|0.051330|0.043670|0.043233|0.048429|0.042435|0.045963|0.042199|0.061288|0.087428|0.106800|0.215208|0.500000| |1.129599|1.224466|1.254633|1.312860|1.438456|2.090462|1.666517|3.037683|1.752587|0.048864|1.603402|1.539753|1.449288|2.713736|2.199485|3.790259|2.602864|0.075686|2.977249|3.687006|4.967034|5.660148|8.810175|17.722086|9.086051|5.706135|5.708591|0.108432|3.397752|0.084968|2.837492|0.082510|3.404413|2.173049|3.511439|2.150434|2.455307|2.395055|2.065693|1.873518|1.901329|0.029986|0.030662|0.031525|0.033462|0.036828|0.032952|0.035326|0.037013|0.035236|0.038987|0.041661|0.041624|0.046279|0.040783|0.040501|0.045547|0.038455|0.040748|0.038362|0.055915|0.075279|0.083531|0.124053|0.215765|0.500000| |1.174035|1.266551|1.303213|1.364450|1.480960|2.158724|1.752004|3.243943|1.847950|0.050412|1.710127|1.677083|1.519042|2.918018|2.356642|3.953974|2.896136|0.083053|3.228187|4.297838|5.502638|4.818560|5.521989|8.941486|17.753080|8.762788|9.225989|0.192374|4.541642|0.111488|3.652784|0.105996|4.044641|2.577719|4.027992|2.670103|3.217360|3.263035|2.712827|2.358704|2.339387|0.031062|0.031766|0.033083|0.034233|0.038038|0.034106|0.037140|0.038986|0.036496|0.039564|0.043057|0.042611|0.049553|0.044167|0.044216|0.050511|0.040208|0.042085|0.040404|0.061220|0.082045|0.084652|0.105267|0.123163|0.216854|0.500000| |1.425063|1.522046|1.579437|1.662962|1.759752|2.575232|2.178177|4.215539|2.281458|0.058622|2.182366|2.300601|1.856918|3.707669|2.830609|4.432330|3.513265|0.096861|3.272583|3.893711|3.557094|2.833654|2.637418|2.892836|3.592633|4.229467|7.886633|0.193291|5.461011|0.141533|6.463662|0.176936|6.134225|4.242207|6.003105|5.623813|8.841154|17.702214|8.888912|5.610291|4.891698|0.037284|0.038209|0.041192|0.039991|0.045388|0.040832|0.046480|0.049280|0.044035|0.045362|0.051570|0.049657|0.062840|0.060106|0.060770|0.073326|0.049230|0.049358|0.049801|0.082565|0.086040|0.078282|0.070891|0.063926|0.072239|0.103313|0.500000| |1.373417|1.436652|1.481382|1.560037|1.606014|2.331074|1.944513|3.730146|2.030162|0.051908|2.029199|2.208215|1.754620|3.162417|2.358235|3.782019|2.707380|0.072552|2.522681|2.779819|2.533093|2.130588|2.002541|2.147631|2.523320|2.829723|4.769379|0.110067|3.542297|0.101518|4.016745|0.104407|4.603387|3.610578|5.469849|5.000294|5.689580|8.928348|17.727329|8.928720|5.638570|0.036000|0.036954|0.040116|0.037526|0.041837|0.038535|0.043927|0.046637|0.041653|0.041303|0.046493|0.045213|0.058362|0.057883|0.060185|0.069870|0.046696|0.046075|0.048046|0.069480|0.069483|0.061618|0.054988|0.050007|0.055157|0.072663|0.215270|0.500000| |1.468919|1.516940|1.537775|1.667368|1.686972|2.476450|2.072075|3.921392|2.201799|0.055619|2.304596|2.592710|1.984113|3.361735|2.476905|4.006463|2.703409|0.070008|2.475356|2.565234|2.264008|1.935027|1.786029|1.851531|2.105113|2.388481|3.889860|0.084128|3.127251|0.093459|3.583319|0.089151|4.615765|4.050544|6.499493|5.688897|4.974826|5.621525|8.922245|17.736956|8.919418|0.038188|0.039841|0.043288|0.039351|0.042852|0.039803|0.045807|0.050395|0.045026|0.043048|0.048087|0.048332|0.066964|0.066765|0.073057|0.082620|0.052373|0.051243|0.055421|0.072864|0.070545|0.060389|0.051255|0.045130|0.047477|0.058806|0.123921|0.216408|0.500000| 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