Version2.0 2020-01-18T02:34:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C63383778 RHF 6-31G(d) (6D,7F) CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C1 610 CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=C3C=CC=CC3=[NH+][C@@H]2[C@@H]4N1C(=O)c5ccccc45 InChIKey=VXKLOZVUCSDHRM-QBYJLNLHSA-O InChI=1S/C29H34N4O3/c1-5-17(4)30-27(34)23(14-16(2)3)32-28(35)24-15-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,16-17,23-26H,5,14-15H2,1-4H3,(H,30,34)(H,32,35)/p+1/t17-,23-,24-,25-,26+/m0/s1 InChI=1/C29H34N4O3/c1-5-17(4)30-27(34)23(14-16(2)3)32-28(35)24-15-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,16-17,23-26H,5,14-15H2,1-4H3,(H,30,34)(H,32,35)/p+1/t17-,23-,24-,25-,26+/m0/s1/fC29H35N4O3/h30-32H/q+1 CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C01[X(C29H35N4O3)] 207 C01 610 CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@@H]2[C@@H]2N1C(=O)c1c2cccc1)CC(C)C)C CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=C3C=CC=C[C@H]3N[C@@H]2[C@@H]4N1C(=O)c5ccccc45 InChIKey=IDHLEMJSQFSMBZ-RWGJGHLZSA-N InChI=1S/C29H36N4O3/c1-5-17(4)30-27(34)23(14-16(2)3)32-28(35)24-15-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,16-17,22-26,31H,5,14-15H2,1-4H3,(H,30,34)(H,32,35)/t17-,22+,23-,24-,25-,26+/m0/s1 InChI=1/C29H36N4O3/c1-5-17(4)30-27(34)23(14-16(2)3)32-28(35)24-15-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,16-17,22-26,31H,5,14-15H2,1-4H3,(H,30,34)(H,32,35)/t17-,22+,23-,24-,25-,26+/m0/s1/f/h30,32H 3993.6277929757 -1560.8422063 1-A 19550.7547 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| -20.63389 -20.63066 -20.61893 -15.75982 -15.70245 -15.68689 -15.67282 -11.46933 -11.45389 -11.45254 -11.43932 -11.43836 -11.42980 -11.40898 -11.40829 -11.40202 -11.38724 -11.38622 -11.37439 -11.37416 -11.36999 -11.36450 -11.35723 -11.34825 -11.34538 -11.34225 -11.34089 -11.33806 -11.33217 -11.31899 -11.30759 -11.30030 -11.29567 -11.28408 -11.28367 -11.28102 -1.50773 -1.49867 -1.48177 -1.46799 -1.39288 -1.34500 -1.32851 -1.29281 -1.27437 -1.25271 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0.5802 0.7974 0.8038 0.5453 0.7832 0.8349 0.6446 0.6771 0.6436 0.2606 0.4741 0.8570 0.4112 0.0081 0.0644 0.5272 0.0580 0.3167 0.6081 0.4611 0.3383 0.8197 0.8497 0.7565 0.7177 0.8545 0.7677 0.7993 0.3142 0.0968 0.4371 0.3502 0.2862 0.7573 0.6680 0.7777 0.7614 0.5549 0.8134 0.2560 0.2861 0.2359 0.3167 0.2784 0.4482 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 6 6 6 1 6 7 6 8 6 1 6 6 6 6 7 6 8 6 1 6 6 6 6 6 6 6 6 7 1 6 1 6 1 7 6 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12210.5823 23706.1073 33174.6379 0.99990 0.01433 0.00046 -0.01433 0.99990 -0.00128 -0.00047 0.00127 1.00000 1 0.00709 0.00365 0.00261 0.14780 0.07613 0.05440 14.94 29.10 45.52 49.77 55.48 65.74 69.86 78.57 84.55 101.40 109.49 124.44 150.86 165.57 186.52 201.00 220.73 232.13 246.80 285.56 317.59 331.43 346.80 350.51 360.15 369.08 387.70 392.03 405.14 431.05 463.55 465.21 496.39 513.04 544.49 588.68 608.32 611.38 643.62 652.64 660.60 669.77 678.12 708.17 736.88 750.75 774.99 780.24 794.55 812.72 816.40 826.62 844.61 855.38 869.49 947.99 969.51 1025.23 1075.64 1088.81 1116.22 1118.87 1155.83 1172.84 1199.86 1212.32 1215.15 1216.26 1229.24 1257.37 1276.82 1276.93 1317.59 1328.48 1341.52 1367.33 1378.20 1400.22 1422.18 1437.85 1446.92 1458.36 1470.42 1484.87 1508.81 1512.51 1526.95 1534.19 1537.24 1541.55 1577.89 1578.40 1598.76 1606.82 1617.31 1620.33 1630.85 1644.18 1648.17 1663.43 1689.74 1734.12 1739.51 1766.37 1766.77 1778.68 1791.08 1814.50 1837.85 1841.27 1858.82 1861.00 1868.24 1874.68 1886.30 1907.22 1918.28 1928.74 1935.58 1956.32 1960.92 1974.05 1999.43 2009.78 2038.38 2042.11 2063.37 2069.01 2101.33 2102.25 2116.11 2121.08 2137.99 2162.48 2172.17 2175.33 2188.18 2195.67 2212.21 2214.66 2228.93 2247.60 2254.14 2256.90 2260.00 2271.01 2288.14 2304.45 2312.16 2343.33 2346.41 2353.03 2354.07 2356.65 2357.11 2361.71 2363.16 2364.83 2368.67 2373.62 2375.06 2387.31 2470.53 2485.88 2505.40 2528.98 2578.44 2609.82 2645.86 2738.13 2802.69 2876.73 4586.22 4595.42 4599.33 4610.02 4611.52 4613.73 4618.74 4641.79 4656.20 4670.54 4673.12 4687.99 4695.76 4699.87 4708.19 4709.13 4717.50 4718.83 4721.85 4747.34 4748.62 4764.35 4776.47 4780.01 4832.63 4866.26 4873.51 4885.29 4899.09 4902.93 4906.25 4926.15 5547.52 5559.24 5583.75 0.648325 0.680184 0.681129 0.581867 -1560.193881 -1560.162022 -1560.161078 -1560.260340 3.329264D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2020 DUDE CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]4N1C(=O)c5c4cccc5 C63383778 RHF 6-31G(d) (6D,10F) C1 487.270916 |X|Y|Z| 78.373003 111.560049 31.027116 64.734957 20 6 7 18 2 |36.858105| |12.469679|36.858105| |7.413673|12.436959|36.858105| |6.946029|8.889891|17.630079|0.500000| |4.866700|7.511232|12.460041|0.246976|36.858105| |6.261275|7.757197|13.032270|0.259256|7.752869|53.358707| |4.859123|5.240977|7.680639|0.207864|5.670838|19.362453|36.858105| |4.381169|4.612684|6.688166|0.216588|5.228706|11.529335|15.748944|73.516695| |3.881413|3.985944|4.968096|0.130514|4.124909|10.670234|12.366856|14.097824|36.858105| |3.569473|3.832475|4.717902|0.118028|4.194670|9.882299|8.916793|10.840166|17.631564|0.500000| 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|1.974760|2.101072|2.523145|0.072961|2.596250|3.705862|3.184631|6.295168|3.155723|0.086154|2.570901|2.384812|2.030043|2.302851|5.147856|5.050022|9.315822|6.412084|0.137379|7.410976|12.714423|8.178536|5.072592|4.098609|4.151430|5.197380|8.349306|17.930973|0.244183|36.858105| |1.832681|1.922417|2.266458|0.065982|2.302144|3.299813|2.813876|5.574575|2.804374|0.075663|2.358358|2.215476|1.917714|2.120698|4.572184|4.248175|7.443428|5.637843|0.130974|6.605082|8.915173|6.235869|4.297401|3.570418|3.618643|4.413289|6.346984|12.402900|0.208469|17.550464|0.500000| |1.954561|2.074161|2.469309|0.069693|2.520372|3.753006|3.240268|6.097273|3.427826|0.096203|2.767703|2.644681|2.203729|2.607930|5.775832|5.984847|11.279712|7.503461|0.156328|6.330847|7.680337|5.556078|4.014430|3.351736|3.364736|4.019621|5.544640|10.224816|0.176855|12.249864|0.243971|36.858105| |2.048731|2.210454|2.659359|0.073784|2.766942|4.080525|3.486764|6.384569|3.698512|0.107648|2.906726|2.757220|2.265963|2.785720|6.030410|6.400120|14.056476|6.606187|0.137886|5.549887|6.843004|5.582152|4.147880|3.518579|3.556078|4.234634|5.685354|9.688987|0.168812|8.828462|0.174022|17.642478|0.500000| |2.052237|2.132334|2.526849|0.071761|2.483525|3.942484|3.528709|6.654406|3.918858|0.106173|3.174928|3.073392|2.520514|2.937456|7.247478|7.725769|11.935842|13.254578|0.260746|7.748344|6.975236|4.814278|3.737531|3.050835|2.921455|3.290193|4.311229|6.960084|0.122562|7.874038|0.193081|13.137072|0.252128|53.358707| |1.834783|1.880070|2.168046|0.061354|2.118913|3.349196|2.915886|5.401479|3.285198|0.089307|2.827958|2.859876|2.405836|2.746233|5.845335|5.355990|8.379067|7.713317|0.212372|5.372801|4.812660|3.637876|2.968658|2.516208|2.444237|2.732583|3.406049|5.500328|0.103265|5.592719|0.156995|8.039188|0.169279|18.806382|36.858105| |1.815538|1.829896|2.081727|0.059053|1.997993|3.227864|2.811457|5.181231|3.222823|0.085933|2.884686|2.992455|2.550549|2.807833|5.763059|4.832977|7.242386|6.680463|0.221834|4.772618|4.015736|3.139500|2.670475|2.277395|2.183089|2.383827|2.889011|4.473523|0.084590|4.308467|0.123380|5.428080|0.125598|11.350265|15.980139|73.516695| |1.653568|1.711853|1.958477|0.055072|1.957680|2.965361|2.501793|4.600950|2.745408|0.076592|2.384904|2.412000|2.068269|2.386985|4.576301|4.122833|7.074907|5.196248|0.135245|4.210526|4.240792|3.378626|2.732980|2.388848|2.402451|2.757189|3.392446|5.767068|0.114638|5.504174|0.158663|8.068404|0.169330|11.386320|12.854099|13.994861|36.858105| |1.700500|1.789186|2.072673|0.058164|2.116437|3.110689|2.607393|4.818204|2.789420|0.078922|2.361403|2.330236|1.986645|2.331388|4.551158|4.266843|7.837488|5.146657|0.123230|4.426190|4.966625|3.993649|3.096568|2.717203|2.801051|3.338537|4.234953|7.808186|0.158062|7.384672|0.196116|12.598353|0.243535|11.249424|8.156595|9.693134|13.789603|36.858105| |1.553420|1.643410|1.882597|0.052566|1.952658|2.775840|2.266291|4.156969|2.384359|0.068196|2.052654|2.029383|1.759146|2.059017|3.730399|3.352888|6.333270|3.785105|0.093300|3.462644|3.985031|3.475523|2.767701|2.524099|2.691667|3.260415|3.925213|7.232886|0.164530|5.667034|0.154223|7.253425|0.177016|7.068919|5.220098|7.121512|7.941231|13.782690|36.858105| |1.410085|1.478589|1.667073|0.046496|1.715734|2.449337|1.980748|3.609600|2.098092|0.059827|1.852683|1.861631|1.638641|1.893302|3.250441|2.811039|5.178951|3.154187|0.081231|2.880347|3.158825|2.796933|2.315318|2.138146|2.263908|2.664152|3.078840|5.300936|0.119271|4.137250|0.118450|4.963678|0.123962|5.621011|4.535859|6.606563|6.967635|8.022296|13.719607|36.858105| |1.382829|1.433701|1.605443|0.044864|1.627128|2.375681|1.932730|3.515068|2.078440|0.058758|1.863607|1.902092|1.683395|1.921751|3.258663|2.767209|4.935123|3.164938|0.084419|2.818639|2.944430|2.557807|2.150455|1.966081|2.036325|2.337771|2.703459|4.501139|0.096823|3.696015|0.108440|4.479846|0.109474|5.633455|5.020261|7.588436|8.042116|6.901317|7.860745|13.689550|36.858105| |1.483861|1.527833|1.718814|0.048196|1.718637|2.576163|2.131627|3.887416|2.330901|0.065231|2.086004|2.143788|1.880118|2.138771|3.762817|3.215827|5.552839|3.832893|0.104434|3.263714|3.273985|2.740902|2.292439|2.052105|2.081075|2.363738|2.794555|4.619211|0.095204|4.054750|0.119801|5.167876|0.120670|7.148160|7.376844|10.904098|13.781926|7.879442|6.766055|7.903730|13.753865|36.858105| |17.566454|8.748905|6.659548|0.170658|4.427961|9.342999|5.457730|8.296026|4.534509|0.113212|5.128583|3.797473|3.688259|3.343324|4.786410|2.986201|5.140603|2.542161|0.069493|2.557906|2.353659|2.400703|2.697542|2.507998|2.148370|1.988151|2.082725|2.620060|0.048838|2.025638|0.052198|2.034582|0.059216|2.953056|1.944099|3.446241|1.733642|1.768008|1.602466|1.456157|1.436624|1.552674|0.500000| |17.545221|8.782618|6.736336|0.206302|4.536026|7.552899|4.706454|8.116733|3.681145|0.091816|3.816805|2.966104|2.868705|2.636741|4.191303|2.732689|4.718531|2.414251|0.065569|2.542827|2.368093|2.471227|2.879215|2.719461|2.278297|2.060003|2.129060|2.632197|0.048969|2.012696|0.052205|1.962204|0.056537|2.812434|1.845650|3.253153|1.658096|1.703119|1.552254|1.408404|1.382592|1.486165|0.301805|0.500000| |17.566886|8.811384|5.441308|0.141537|4.061022|6.449921|3.838346|6.235911|3.254427|0.084993|3.495818|2.840761|2.826431|2.618964|3.658322|2.395043|4.208214|2.102188|0.057225|2.149505|2.031835|2.110803|2.391386|2.306855|2.000277|1.829356|1.871618|2.343009|0.044131|1.776192|0.046101|1.762677|0.051194|2.508342|1.668195|2.944448|1.516070|1.554289|1.431227|1.308948|1.285742|1.373105|0.302140|0.301900|0.500000| |8.827403|17.491711|8.854803|0.174268|6.803337|9.636376|4.760250|7.156055|3.887012|0.108316|3.808344|3.045136|2.816669|2.981871|4.148994|2.781493|5.131432|2.335027|0.061674|2.356340|2.295572|2.434991|2.774945|2.714918|2.359911|2.144311|2.174827|2.691102|0.050511|2.008612|0.050962|2.014989|0.060156|2.808714|1.830940|3.166383|1.677357|1.752532|1.617936|1.460421|1.415605|1.503688|0.209478|0.172673|0.212601|0.500000| |8.873923|17.542869|8.935679|0.210707|7.121224|7.684017|4.228759|7.020976|3.307122|0.089089|3.172289|2.566590|2.401369|2.450655|3.740634|2.569573|4.702301|2.231725|0.058829|2.340069|2.303167|2.500328|2.960930|2.973957|2.524191|2.227119|2.220604|2.697247|0.050532|1.991625|0.050869|1.941156|0.057241|2.683240|1.746253|3.012611|1.606835|1.686766|1.563888|1.410427|1.362388|1.441663|0.172903|0.211015|0.214240|0.304748|0.500000| |4.474811|6.821184|8.777902|0.173437|17.538691|9.424765|5.000204|7.777783|3.957127|0.117262|3.372622|2.769376|2.423116|2.812496|4.401356|3.194236|6.363769|2.630880|0.066568|2.691014|2.782004|3.103507|3.611975|3.685784|3.210571|2.847549|2.814651|3.371572|0.062819|2.429452|0.059898|2.414275|0.074440|3.224362|2.042038|3.424349|1.902514|2.054988|1.911259|1.687601|1.599184|1.681116|0.115960|0.110860|0.107900|0.202108|0.176541|0.500000| |4.562125|6.832013|8.799388|0.212492|17.551084|7.627586|4.449728|7.723530|3.383897|0.094271|2.944953|2.419961|2.167925|2.368873|3.961534|2.901310|5.595390|2.502924|0.063596|2.687441|2.801718|3.233264|4.035157|4.349765|3.590926|3.006224|2.893166|3.366984|0.062489|2.399101|0.059837|2.289921|0.068919|3.049894|1.934810|3.251764|1.804972|1.950470|1.819598|1.609235|1.523985|1.598670|0.110456|0.122001|0.109643|0.166676|0.213217|0.301544|0.500000| |4.035504|5.476875|8.803522|0.213284|17.568208|9.636635|5.963119|10.277137|4.320483|0.122762|3.435030|2.777505|2.384544|2.732345|5.046094|3.839053|7.791436|3.164439|0.077718|3.393113|3.621918|4.281591|5.410227|5.492706|4.379096|3.719708|3.701933|4.217867|0.076340|3.013884|0.072757|2.889160|0.089304|3.805087|2.334008|3.853818|2.159067|2.372350|2.178019|1.884930|1.771610|1.871734|0.106162|0.108252|0.094561|0.139957|0.143581|0.301263|0.300492|0.500000| |5.799764|7.127004|9.027201|0.181041|6.652069|26.026155|9.477307|10.876636|7.578008|0.221461|6.457337|4.555466|3.740284|4.458465|6.661638|4.226817|7.867730|3.220928|0.083666|3.104357|2.945677|3.028648|3.340916|3.058576|2.636804|2.471580|2.623388|3.284958|0.060537|2.528300|0.062734|2.621199|0.079860|3.739860|2.370275|4.075019|2.114735|2.208608|1.984265|1.762705|1.713138|1.852048|0.183691|0.134742|0.128916|0.211918|0.144622|0.190940|0.137567|0.165232|0.500000| |4.216855|3.763400|4.152447|0.115236|3.267328|7.600298|6.965132|10.385702|8.884652|0.173787|17.499985|8.821784|7.107027|5.468250|9.600926|4.748058|7.146668|3.889703|0.113546|3.555628|2.960399|2.767091|2.876769|2.485382|2.160928|2.102625|2.337909|3.065771|0.056415|2.529031|0.065333|2.660313|0.075924|4.196759|2.767163|5.092434|2.315376|2.275163|1.974838|1.789548|1.808893|2.031337|0.147718|0.114027|0.099455|0.099535|0.087134|0.086194|0.079020|0.090030|0.149284|0.500000| |4.848828|4.491882|4.749911|0.119834|3.702203|9.430399|6.996950|9.067800|8.880707|0.211667|17.551316|8.864872|6.973327|6.819406|7.695256|4.196955|6.944259|3.294302|0.091591|3.011750|2.671462|2.582480|2.714339|2.421989|2.130048|2.057812|2.238722|2.913822|0.054112|2.332184|0.059450|2.478275|0.072920|3.747947|2.466294|4.426992|2.134538|2.137403|1.891204|1.713554|1.711675|1.888438|0.179460|0.118938|0.114663|0.127057|0.099391|0.102271|0.087186|0.098305|0.219732|0.304934|0.500000| |2.810950|2.690095|2.950268|0.079782|2.578302|5.137337|4.483209|6.968365|6.731235|0.166398|8.870675|17.528924|8.935693|8.932376|9.625600|4.978956|7.377971|4.137756|0.126540|3.339959|2.810934|2.526216|2.465175|2.149823|1.951793|1.969092|2.218903|3.039681|0.056783|2.556013|0.066410|2.880048|0.082014|4.727119|3.285894|6.278037|2.691085|2.543693|2.178801|2.002173|2.071365|2.377589|0.091235|0.075054|0.070259|0.074629|0.065018|0.070713|0.063029|0.073133|0.108291|0.212246|0.174256|0.500000| |3.303440|2.965098|2.936026|0.077129|2.488938|4.891223|3.673201|5.579814|4.487623|0.117686|6.853184|8.760410|17.530480|6.838750|5.179480|3.033895|4.977747|2.604704|0.075654|2.344455|2.084966|1.982553|2.026314|1.842065|1.670593|1.640672|1.774077|2.368729|0.044883|1.898026|0.049664|2.040423|0.058752|3.108537|2.164055|4.016559|1.893048|1.841466|1.649316|1.536180|1.565528|1.727740|0.112817|0.084142|0.086389|0.085107|0.070744|0.069805|0.061881|0.066719|0.109044|0.173696|0.206647|0.173672|0.500000| |2.608120|2.410759|2.464315|0.065968|2.159360|4.043605|3.179820|5.014308|4.010395|0.106080|5.507096|8.783204|17.564383|6.911473|5.133408|3.047931|4.898585|2.698536|0.080625|2.353876|2.070733|1.925867|1.919581|1.733424|1.591670|1.588565|1.736621|2.363214|0.044993|1.920662|0.050744|2.103581|0.059816|3.271387|2.346232|4.468128|2.032493|1.931223|1.718511|1.617922|1.675914|1.872130|0.085026|0.068555|0.068159|0.068317|0.058952|0.060264|0.054084|0.059306|0.087729|0.143804|0.141580|0.214456|0.301868|0.500000| |3.098319|2.742316|2.802798|0.076611|2.363176|4.621772|3.720434|5.930669|4.559066|0.111159|6.958096|8.742862|17.545369|5.482551|5.749213|3.267019|5.110898|2.905673|0.087739|2.605620|2.237365|2.083324|2.112434|1.886412|1.699398|1.676908|1.838647|2.469603|0.046544|2.018521|0.053414|2.158475|0.060857|3.384649|2.379369|4.530486|2.031078|1.942761|1.716059|1.600184|1.648546|1.846801|0.104070|0.082871|0.079556|0.075580|0.066302|0.064482|0.059203|0.064543|0.097037|0.215255|0.172587|0.212802|0.301440|0.301922|0.500000| |2.755289|2.820271|3.118257|0.079811|2.869542|5.550018|4.448840|6.469801|6.666325|0.232753|6.663821|8.710010|5.478212|17.560266|7.948839|4.856775|8.423200|3.683886|0.101279|2.999505|2.735382|2.543398|2.474503|2.213139|2.050120|2.077847|2.305415|3.150983|0.059398|2.556645|0.064489|2.968450|0.089943|4.533644|3.061027|5.445042|2.660721|2.624452|2.299902|2.090504|2.107213|2.349788|0.087409|0.070880|0.069351|0.082021|0.067943|0.082618|0.068564|0.081615|0.127510|0.137398|0.164222|0.214252|0.138906|0.141705|0.122248|0.500000| |2.496229|2.459697|2.594135|0.067437|2.363319|4.381738|3.418081|5.198513|4.611329|0.138551|5.458368|8.804543|7.009265|17.565405|5.790844|3.565884|5.997670|2.977254|0.085365|2.493671|2.258325|2.101955|2.057754|1.863844|1.736220|1.754637|1.924388|2.642715|0.050448|2.135729|0.055261|2.431180|0.071353|3.724671|2.637992|4.863717|2.316433|2.229347|1.983894|1.851679|1.899717|2.113253|0.079585|0.064445|0.064509|0.071554|0.060016|0.067740|0.058051|0.065908|0.099028|0.123028|0.140636|0.212514|0.172771|0.211054|0.142115|0.303143|0.500000| |3.081250|3.072323|3.196917|0.080207|2.855173|5.614826|4.126504|5.916601|5.527070|0.175222|6.816764|8.762361|6.766568|17.517411|5.985679|3.624614|6.307318|2.899831|0.080606|2.516321|2.310565|2.208009|2.220071|2.026005|1.863778|1.850590|2.004577|2.689746|0.051011|2.136292|0.054579|2.375755|0.070963|3.548174|2.420942|4.348426|2.146099|2.127109|1.907307|1.754799|1.764513|1.935477|0.100599|0.076819|0.078996|0.092094|0.072923|0.083484|0.068773|0.077790|0.136011|0.140144|0.203706|0.173641|0.200126|0.167256|0.138779|0.300794|0.302113|0.500000| |3.039907|2.976319|3.542977|0.101294|3.067069|6.205823|6.518573|11.521938|9.125255|0.182103|7.403750|6.212104|4.528496|4.702929|26.041556|9.481780|10.909002|7.580462|0.237445|5.850220|4.285380|3.639508|3.504543|2.854468|2.499839|2.522987|2.970910|4.016661|0.072135|3.562145|0.090890|3.887403|0.107803|6.843923|4.258019|7.853442|3.262040|3.151531|2.585721|2.288268|2.329515|2.716443|0.095468|0.084878|0.073083|0.078598|0.072338|0.079950|0.074302|0.090958|0.117298|0.216088|0.147026|0.207658|0.107108|0.109038|0.128847|0.137769|0.111390|0.110867|0.500000| |2.796017|2.865512|3.598831|0.111563|3.317426|5.491540|5.435223|13.231946|4.922529|0.116593|3.860667|3.246266|2.719670|2.851737|8.589135|7.348120|10.463916|8.703717|0.201947|17.630302|8.907680|6.821564|6.309806|4.369186|3.591304|3.616300|4.595557|5.855606|0.098023|5.462116|0.136645|4.818264|0.126243|7.666089|4.255511|7.073380|3.435498|3.579978|2.927390|2.488600|2.438867|2.775785|0.081219|0.081871|0.067082|0.072783|0.073101|0.081677|0.083008|0.104990|0.096667|0.113092|0.093138|0.096715|0.069676|0.068297|0.077923|0.084920|0.070644|0.073082|0.180329|0.500000| |2.229054|2.264949|2.704599|0.081539|2.575497|4.033559|3.681589|7.857384|3.629763|0.090670|3.049588|2.763470|2.376205|2.479676|6.364393|5.602570|8.275772|8.830683|0.223464|17.537277|9.075453|5.877766|4.756472|3.602792|3.215743|3.432670|4.483639|6.341971|0.107576|6.656956|0.192234|5.522266|0.128458|9.244075|5.354465|8.790865|4.208159|4.241742|3.353944|2.859933|2.850937|3.329820|0.064485|0.064831|0.055037|0.058688|0.058852|0.065312|0.066093|0.080141|0.074343|0.088553|0.074266|0.084512|0.060416|0.061501|0.068122|0.073770|0.063469|0.062976|0.137709|0.300101|0.500000| |3.131872|3.442164|4.632687|0.153527|4.618119|6.122078|5.298632|13.096202|4.036760|0.102325|3.216522|2.646857|2.285930|2.437929|5.678102|4.632188|8.330619|4.424174|0.105494|6.038847|6.585100|8.727519|17.751501|8.988725|5.585910|4.814057|5.498217|5.835217|0.098125|4.431066|0.107531|3.698306|0.105106|4.976297|2.926985|4.789919|2.620963|2.879511|2.540180|2.160252|2.044222|2.207539|0.085589|0.093024|0.074301|0.084516|0.091249|0.104905|0.119136|0.157466|0.103073|0.091397|0.084207|0.074210|0.061201|0.057318|0.064491|0.072243|0.060205|0.065552|0.109687|0.209986|0.137736|0.500000| |2.791451|3.229950|4.085463|0.127289|4.785678|4.831362|3.606723|7.411767|2.896682|0.078067|2.439997|2.080708|1.849775|1.993301|3.863194|3.087670|5.898521|2.927691|0.072049|3.526162|4.107693|5.635419|9.036112|17.757910|8.787525|5.584329|4.927909|5.013621|0.089873|3.352809|0.083260|2.852527|0.083063|3.626734|2.243917|3.671493|2.123292|2.369205|2.214488|1.910790|1.774129|1.849976|0.072936|0.081605|0.068629|0.080503|0.092085|0.108953|0.140902|0.161638|0.085794|0.067792|0.066788|0.057224|0.050682|0.047080|0.051559|0.058748|0.050007|0.054998|0.074212|0.106968|0.087510|0.214521|0.500000| |2.112908|2.408153|2.869233|0.083173|3.398947|3.616692|2.702887|5.242142|2.354553|0.065662|2.005423|1.783373|1.589401|1.756285|3.218370|2.652100|5.214277|2.581854|0.063287|2.979838|3.692868|4.973562|5.658022|8.816733|17.719483|9.087061|5.709682|5.709796|0.108443|3.398172|0.084549|2.862145|0.084007|3.426886|2.156246|3.460968|2.137362|2.462003|2.410233|2.066385|1.862052|1.884631|0.056306|0.060100|0.053513|0.063073|0.068236|0.085705|0.097631|0.111549|0.067772|0.054778|0.054652|0.049521|0.043426|0.041222|0.043825|0.052342|0.044830|0.048279|0.061519|0.083623|0.075791|0.123933|0.215989|0.500000| |1.831491|2.036264|2.404620|0.068578|2.725196|3.228342|2.501132|4.792844|2.303073|0.065007|1.946647|1.778640|1.569113|1.770391|3.283079|2.825273|5.635465|2.860965|0.068884|3.230041|4.303442|5.505082|4.813602|5.522230|8.936309|17.753279|8.764049|9.222516|0.192376|4.540045|0.111018|3.673839|0.107295|4.058935|2.547646|3.956338|2.641953|3.215243|3.280063|2.706317|2.335112|2.309091|0.050104|0.051606|0.046551|0.054350|0.056094|0.071277|0.074217|0.088824|0.061690|0.052751|0.052011|0.050314|0.042312|0.041187|0.043036|0.053557|0.045675|0.047852|0.062526|0.084681|0.082908|0.105204|0.123195|0.216876|0.500000| |1.558347|1.665594|1.913883|0.053299|2.018767|2.791061|2.251725|4.129847|2.326457|0.067021|1.991187|1.945441|1.689460|1.984516|3.561924|3.194961|6.224532|3.479949|0.084666|3.300210|3.961170|3.628035|2.883162|2.684033|2.948569|3.677371|4.341328|8.148709|0.202028|5.594433|0.145270|6.479649|0.173911|6.129150|4.243456|5.997818|5.627410|8.838190|17.704143|8.902596|5.613503|4.895929|0.044356|0.043203|0.039900|0.045593|0.044265|0.054988|0.052464|0.062983|0.055377|0.053066|0.051470|0.057260|0.044373|0.045627|0.045707|0.061580|0.052790|0.051641|0.067954|0.078813|0.087423|0.072094|0.064948|0.073494|0.105730|0.500000| |1.326181|1.393718|1.560766|0.043436|1.617034|2.271740|1.814182|3.296318|1.904367|0.054476|1.694879|1.700969|1.510815|1.738672|2.895971|2.464839|4.578312|2.702659|0.069946|2.521205|2.780011|2.536920|2.136580|2.009077|2.153549|2.528559|2.833522|4.764656|0.109688|3.535739|0.100662|4.017861|0.104387|4.602589|3.612544|5.466303|5.001711|5.684969|8.932778|17.725550|8.926218|5.641213|0.037877|0.036757|0.034354|0.038332|0.037124|0.044352|0.042402|0.049141|0.045544|0.045477|0.043945|0.050344|0.039608|0.041496|0.040957|0.053026|0.047354|0.045167|0.056641|0.061613|0.069508|0.055214|0.050188|0.055313|0.072763|0.215654|0.500000| |1.287076|1.329377|1.474563|0.041165|1.492092|2.170937|1.750635|3.172576|1.878868|0.053077|1.709779|1.756141|1.573829|1.777781|2.906609|2.413703|4.290113|2.715343|0.073613|2.450107|2.532858|2.240300|1.920467|1.773703|1.836630|2.083823|2.360102|3.828808|0.082487|3.073041|0.090257|3.577243|0.089794|4.616057|4.052644|6.495490|5.687159|4.968320|5.622206|8.918035|17.735707|8.920540|0.037106|0.035732|0.033415|0.036535|0.035188|0.040852|0.039007|0.044782|0.043640|0.046211|0.043875|0.052912|0.040773|0.043788|0.042850|0.053648|0.049217|0.045544|0.058092|0.059932|0.069243|0.050976|0.044872|0.047129|0.058171|0.123985|0.216296|0.500000| 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