Version2.0 2019-11-14T19:51:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-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](c1ccccc1)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(onc4c5ccccc5)C C39695393 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccccc1)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(onc4c5ccccc5)C C01[X(C29H35N4O3)] 207 C1 610 CC[C@@H](c1ccccc1)NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(C)onc1c1ccccc1 CC[C@@H](c1ccccc1)NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(C)onc1c1ccccc1 CC[C@H](NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3c(C)onc3c4ccccc4)c5ccccc5 InChIKey=DJUQBVATIADKAG-RPWUZVMVSA-O InChI=1S/C29H34N4O3/c1-3-24(21-10-6-4-7-11-21)31-27(34)23-18-33(19-29(23)14-16-30-17-15-29)28(35)25-20(2)36-32-26(25)22-12-8-5-9-13-22/h4-13,23-24,30H,3,14-19H2,1-2H3,(H,31,34)/p+1/t23-,24+/m1/s1 InChI=1/C29H34N4O3/c1-3-24(21-10-6-4-7-11-21)31-27(34)23-18-33(19-29(23)14-16-30-17-15-29)28(35)25-20(2)36-32-26(25)22-12-8-5-9-13-22/h4-13,23-24,30H,3,14-19H2,1-2H3,(H,31,34)/p+1/t23-,24+/m1/s1/fC29H35N4O3/h30-31H/q+1 CC[C@@H](c1ccccc1)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(onc4c5ccccc5)C C01[X(C29H35N4O3)] 207 C01 610 CC[C@@H](c1ccccc1)NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1c(C)onc1c1ccccc1 CC[C@@H](c1ccccc1)NC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)C1=C(C)ON[C@H]1c1ccccc1 CC[C@H](NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)C3=C(C)ON[C@H]3c4ccccc4)c5ccccc5 InChIKey=GOZOIHMRDYUIHS-USZFVNFHSA-N InChI=1S/C29H37N4O3/c1-3-24(21-10-6-4-7-11-21)31-27(34)23-18-33(19-29(23)14-16-30-17-15-29)28(35)25-20(2)36-32-26(25)22-12-8-5-9-13-22/h4-13,23-24,26,32H,3,14-19,30H2,1-2H3,(H,31,34)/t23-,24+,26+/m1/s1 InChI=1/C29H37N4O3/c1-3-24(21-10-6-4-7-11-21)31-27(34)23-18-33(19-29(23)14-16-30-17-15-29)28(35)25-20(2)36-32-26(25)22-12-8-5-9-13-22/h4-13,23-24,26,32H,3,14-19,30H2,1-2H3,(H,31,34)/t23-,24+,26+/m1/s1/f/h31H 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8.0040 2.9445 56.2435 8.2441 7.6796 22.8013 73.5397 5.4489 30.5835 8.3657 17.2640 40.5029 9.9992 84.3080 113.4218 152.2243 33.5338 75.9036 108.1912 59.4552 10.0268 66.3574 51.5932 114.3019 125.3911 104.5956 39.2015 14.3546 44.3074 45.7924 55.6103 44.9187 32.6294 51.3826 51.0822 44.1775 96.6172 145.9317 33.1503 46.5354 247.5613 192.4594 160.9079 70.3839 53.0799 25.4515 0.7288 0.7435 0.7500 0.7472 0.7356 0.7371 0.7408 0.7106 0.7110 0.7448 0.7449 0.7439 0.7282 0.6924 0.7028 0.4271 0.7322 0.5020 0.7404 0.7114 0.7395 0.2292 0.5825 0.7394 0.6946 0.5115 0.0577 0.7202 0.3422 0.2068 0.3419 0.4262 0.2471 0.4071 0.6624 0.7073 0.6148 0.6729 0.4443 0.7187 0.3753 0.2019 0.4250 0.3218 0.3175 0.1287 0.0947 0.5153 0.1348 0.0578 0.6476 0.7129 0.1026 0.5777 0.2717 0.5604 0.7292 0.6741 0.5936 0.5436 0.3010 0.0266 0.0529 0.1512 0.7385 0.6748 0.4459 0.1379 0.0700 0.0963 0.0395 0.4194 0.1514 0.7351 0.6150 0.5514 0.6281 0.7486 0.1132 0.7261 0.6145 0.7350 0.6189 0.7472 0.2190 0.1079 0.0738 0.7243 0.7224 0.1944 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0.6033 0.4888 0.2616 0.4143 0.6750 0.2565 0.0254 0.0638 0.6475 0.2406 0.7482 0.1474 0.8453 0.8135 0.0950 0.6751 0.1497 0.8111 0.5480 0.6420 0.5552 0.4379 0.8355 0.8347 0.7625 0.8493 0.8328 0.8223 0.7305 0.8042 0.7350 0.8549 0.2016 0.2252 0.2464 0.2172 0.7796 0.2740 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 6 6 6 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 8 7 6 6 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 1 1 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 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 1.00783 1.00783 12858.4436 25236.7230 30724.0631 0.99999 -0.00326 -0.00169 0.00324 0.99995 -0.00993 0.00173 0.00992 0.99995 1 0.00674 0.00343 0.00282 0.14035 0.07151 0.05874 13.19 17.55 23.31 36.01 42.89 52.25 61.90 73.00 106.12 110.48 129.90 132.07 151.20 156.40 175.14 200.36 222.60 234.88 238.65 289.46 307.78 319.83 321.83 346.89 370.15 387.41 394.26 406.03 453.32 464.59 475.82 484.54 502.04 531.99 555.58 587.88 605.56 642.08 653.88 654.33 674.49 687.85 709.95 743.63 748.33 780.11 823.57 843.26 871.78 937.39 973.53 976.42 986.37 992.73 1007.85 1027.68 1093.17 1103.06 1119.15 1127.20 1180.69 1192.90 1207.11 1230.80 1241.54 1249.92 1254.70 1266.03 1279.65 1286.54 1316.85 1351.78 1365.03 1380.23 1384.11 1397.70 1443.05 1459.47 1461.98 1502.92 1518.30 1518.96 1528.35 1530.44 1556.36 1566.13 1569.23 1573.59 1578.96 1587.86 1595.90 1601.27 1622.66 1625.36 1631.01 1631.49 1635.34 1641.29 1649.92 1653.59 1687.98 1688.87 1701.80 1710.22 1734.28 1747.30 1749.65 1767.33 1770.46 1777.47 1814.25 1852.53 1864.95 1879.09 1880.60 1902.67 1918.44 1922.32 1925.54 1925.96 1941.23 1959.10 1976.72 1995.60 2032.11 2044.96 2057.26 2074.00 2087.42 2093.52 2110.54 2125.27 2128.95 2159.84 2167.98 2173.05 2191.07 2217.64 2225.03 2233.48 2239.17 2241.54 2247.24 2257.31 2261.34 2277.46 2285.74 2322.70 2333.38 2337.27 2339.57 2343.07 2347.27 2356.99 2362.70 2363.70 2373.25 2386.52 2404.55 2405.33 2407.73 2422.79 2457.62 2487.78 2560.92 2568.17 2604.79 2607.77 2629.43 2633.20 2759.90 2811.48 4601.90 4606.88 4616.66 4620.70 4639.59 4648.42 4672.55 4680.92 4687.00 4715.08 4720.19 4720.82 4722.09 4731.76 4734.79 4750.97 4757.92 4758.37 4766.80 4769.30 4806.58 4815.37 4816.05 4837.60 4837.82 4849.34 4852.41 4863.26 4866.90 4879.76 4880.51 4897.79 5275.55 5366.61 5581.75 0.653050 0.684133 0.685077 0.585310 -1560.082129 -1560.051047 -1560.050103 -1560.149870 3.346202D-04 MUNgauss RevisionA1.9 retrievium 14-Nov-2019 DUDE CC[C@@H](c1ccccc1)NC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4c(onc4c5ccccc5)C C39695393 RHF 6-31G(d) (6D,10F) C1 487.270886 |X|Y|Z| 107.922906 72.408477 47.497264 71.866067 31 6 7 8 26 4 1 |36.858105| |12.462246|36.858105| |7.432368|12.422163|36.858105| |7.004088|8.915520|17.648272|0.500000| |4.862123|7.458407|12.504945|0.249231|36.858105| |3.910260|5.237663|7.552868|0.206746|13.728002|36.858105| |3.099297|3.965322|5.004027|0.134086|7.891794|13.720463|36.858105| |2.885580|3.713788|4.412248|0.111230|6.817671|7.929852|13.772416|36.858105| |3.209345|4.302430|4.988788|0.116613|7.889093|6.889165|7.956292|13.724843|36.858105| |4.133999|6.089131|7.485272|0.155435|13.671574|7.969034|6.890779|7.931337|13.769085|36.858105| |6.275644|7.747039|12.995800|0.258976|7.746361|5.475598|4.090425|3.788999|4.348334|6.133050|53.358707| 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|2.331794|2.119196|2.264300|0.065924|1.983386|1.898866|1.696155|1.590398|1.638593|1.818343|3.494809|2.917727|5.224542|3.203744|0.082518|4.318203|5.926299|3.290070|2.889520|2.377036|2.144356|2.848221|0.053949|0.055116|2.396270|2.746255|5.255491|7.686409|8.749700|14.477637|73.516695| |2.401373|2.169906|2.329617|0.069340|2.032786|1.972746|1.751961|1.621437|1.653670|1.834762|3.515772|2.942070|5.453480|3.076408|0.077803|4.024021|5.623042|3.205878|2.771788|2.333681|2.099228|2.727224|0.051786|0.052685|2.241300|2.544445|5.190721|7.908286|8.510889|8.667675|24.802703|53.358707| |2.547795|2.339117|2.585536|0.078016|2.254472|2.207097|1.944550|1.779878|1.803838|2.006691|3.934019|3.417775|6.552344|3.542507|0.086313|4.752105|7.064039|3.898609|3.212087|2.671808|2.380429|3.032407|0.057237|0.057949|2.489174|2.842999|7.244206|10.714111|13.196395|8.703799|15.920770|20.202601|36.858105| |2.550590|2.358661|2.629785|0.081596|2.310110|2.318138|2.036309|1.831584|1.826883|2.021601|3.854058|3.323964|6.704840|3.234123|0.078286|4.001222|5.975464|3.608233|2.976711|2.586614|2.314889|2.879704|0.054689|0.055032|2.292840|2.568608|5.782100|9.761328|7.204844|5.228033|9.553056|10.803999|12.867523|36.858105| |2.234041|2.068672|2.258468|0.069593|2.020219|2.046686|1.827852|1.651063|1.636361|1.787412|3.229976|2.693826|5.348093|2.616535|0.064960|3.103274|4.570865|2.897153|2.455549|2.192986|2.007439|2.520102|0.048477|0.048379|1.985986|2.174328|4.204939|7.499911|5.013787|4.138944|8.054906|8.927555|7.678978|13.692871|36.858105| |2.150778|2.011193|2.192907|0.068249|1.987871|2.051207|1.842305|1.649299|1.615076|1.750091|3.052164|2.507373|5.046448|2.372353|0.059165|2.697609|3.942266|2.613508|2.248871|2.067834|1.906789|2.370495|0.045854|0.045635|1.832456|1.981788|3.463437|6.355276|3.811470|3.218332|6.078853|6.093564|5.073756|7.920910|13.773596|36.858105| |2.321664|2.197718|2.435522|0.077432|2.215928|2.330631|2.076503|1.826222|1.768589|1.917650|3.324898|2.739079|5.687465|2.506285|0.061887|2.773860|4.044150|2.755932|2.376839|2.226687|2.037919|2.485569|0.047936|0.047849|1.892262|2.048697|3.454488|6.384852|3.589046|2.971438|5.395913|5.168404|4.473014|6.855761|7.938259|13.743744|36.858105| |2.682980|2.555069|2.920989|0.095109|2.616208|2.757527|2.398490|2.079729|2.016137|2.215402|4.016185|3.407528|7.407481|3.029851|0.073014|3.356387|4.915880|3.342241|2.836987|2.640413|2.360318|2.826531|0.053881|0.054221|2.150222|2.366244|4.177841|7.605709|4.179929|3.303643|5.780461|5.464710|5.056154|7.921398|6.876464|7.943185|13.755469|36.858105| |2.850706|2.676987|3.083105|0.098905|2.692614|2.747990|2.367950|2.084136|2.058837|2.293585|4.452432|3.929740|8.485747|3.599256|0.084906|4.260443|6.344541|4.012213|3.293175|2.919469|2.561576|3.092805|0.058315|0.059038|2.412485|2.718343|5.735481|9.864207|5.962461|4.327071|7.397217|7.234943|7.622439|13.707886|7.931980|6.876692|7.938459|13.761935|36.858105| |2.251512|2.112929|2.286472|0.064473|2.037533|1.921901|1.734406|1.655813|1.727910|1.912110|3.671643|3.107917|5.318609|3.770532|0.099150|5.251389|7.318494|3.940706|3.523469|2.746234|2.498199|3.458435|0.064920|0.066531|3.091106|3.618324|5.745492|8.072399|7.288310|12.773673|14.192486|7.236263|5.184713|3.726087|3.137118|2.577238|2.422889|2.663236|3.297256|36.858105| |17.570242|8.817617|5.449879|0.142423|4.050449|3.353213|2.768015|2.630203|2.927417|3.645390|6.457797|3.756041|6.075776|3.164426|0.091382|2.939747|3.364971|2.350541|2.563576|2.500398|2.088458|2.643915|0.049034|0.055290|1.957579|2.285301|2.266998|3.643158|2.298386|2.198047|3.811926|2.991029|2.289050|2.285036|2.040828|1.973646|2.108423|2.380912|2.502027|2.065459|0.500000| |17.553463|8.779820|6.764877|0.208762|4.551952|3.909220|3.070789|2.774324|2.976191|3.716525|7.579454|4.582271|7.807270|3.584197|0.097915|3.387128|3.893569|2.695530|2.856487|2.763243|2.272614|2.805822|0.051868|0.057670|2.082140|2.443289|2.650730|4.245354|2.683132|2.482601|4.296934|3.469388|2.721854|2.793581|2.447752|2.379707|2.602782|3.031045|3.176128|2.255389|0.301979|0.500000| |17.558709|8.734277|6.664262|0.171607|4.420926|3.560986|2.867071|2.700170|3.021379|3.865864|9.361700|5.242841|7.933389|4.329225|0.126073|4.006626|4.302043|2.922588|3.238001|3.028032|2.438381|3.079070|0.056174|0.064040|2.325502|2.821868|2.815475|4.388563|2.856037|2.714483|4.610510|3.579312|2.778113|2.704586|2.333032|2.200462|2.340466|2.715397|2.977927|2.533665|0.302179|0.301857|0.500000| |8.857828|17.566708|8.954552|0.211592|7.092380|5.414682|4.170322|3.866624|4.357586|5.838475|7.685618|4.214585|7.016682|3.285236|0.092200|2.849106|3.388290|2.502488|2.773670|2.901941|2.397963|2.930082|0.054237|0.061554|2.084828|2.392226|2.253941|3.712228|2.179291|2.024711|3.433246|2.714193|2.142376|2.195066|1.957000|1.932374|2.126820|2.443122|2.494119|1.903546|0.213925|0.210744|0.172643|0.500000| |8.831500|17.508518|8.813266|0.174226|6.694894|4.619974|3.720835|3.694641|4.533440|6.538801|9.595355|4.720428|7.125402|3.831294|0.114455|3.187687|3.647948|2.683416|3.121870|3.220241|2.600071|3.249450|0.059289|0.069572|2.330588|2.744736|2.352999|3.808702|2.268124|2.142985|3.583568|2.763951|2.168780|2.151336|1.897059|1.833345|1.977870|2.270798|2.396098|2.060034|0.212908|0.172744|0.209309|0.305008|0.500000| |3.931327|4.927467|7.034081|0.230788|8.925043|17.715557|8.922023|5.647852|4.960284|5.656823|7.053529|4.961956|10.251398|3.614267|0.091204|3.073627|4.015781|3.222122|3.388020|3.890164|3.223485|3.578859|0.066476|0.072328|2.440092|2.700076|2.696947|4.660535|2.434542|2.142264|3.542325|2.861971|2.376529|2.553461|2.248673|2.279620|2.646650|3.188293|3.106978|1.971680|0.092685|0.114755|0.099110|0.141640|0.115613|0.500000| |2.742349|3.351115|4.089938|0.114941|5.630928|8.918163|17.717790|8.918401|5.650374|4.961305|4.697275|3.344618|6.431664|2.763530|0.072037|2.370084|3.196147|2.641332|2.798343|3.392112|3.105315|3.461257|0.066260|0.070702|2.253589|2.359509|2.165708|3.846198|1.946063|1.749667|2.898091|2.307032|1.883509|1.996369|1.810597|1.846590|2.096990|2.402129|2.325499|1.651547|0.068780|0.076974|0.070763|0.098434|0.086777|0.215790|0.500000| |2.489143|3.088102|3.532614|0.091064|4.923382|5.639173|8.912491|17.718680|8.898652|5.642092|4.270348|2.925129|5.205234|2.560184|0.069735|2.154117|2.856016|2.359794|2.625892|3.246892|3.066033|3.573348|0.068871|0.076138|2.259649|2.328865|1.900291|3.336026|1.719168|1.584372|2.616913|2.039492|1.636919|1.684475|1.533110|1.536818|1.693924|1.904877|1.898559|1.535169|0.064061|0.066841|0.065171|0.089519|0.086037|0.124162|0.214665|0.500000| |2.880352|3.726036|4.072818|0.096365|5.626003|4.959950|5.652296|8.903974|17.710550|8.928908|5.077785|3.244994|5.360540|2.896361|0.082970|2.356699|3.000600|2.436986|2.870226|3.496555|3.136969|3.840581|0.072045|0.085702|2.456523|2.614105|1.945588|3.326785|1.777981|1.666165|2.739988|2.101531|1.669976|1.677603|1.512033|1.488149|1.613862|1.819539|1.864408|1.640559|0.074635|0.073591|0.076270|0.104244|0.112909|0.107640|0.124138|0.214526|0.500000| |4.364700|6.414956|6.915628|0.139934|8.872396|5.649624|4.959580|5.652184|8.963625|17.693470|8.533785|4.631954|7.022474|3.911862|0.116695|3.035209|3.637429|2.862776|3.505962|4.036110|3.251257|3.994380|0.072195|0.088447|2.697721|3.093406|2.298497|3.805186|2.122852|1.990297|3.258893|2.490962|1.981615|1.966380|1.738064|1.686548|1.825721|2.095356|2.197558|1.949239|0.108616|0.104178|0.115922|0.160724|0.220358|0.124046|0.107637|0.124334|0.216845|0.500000| |6.011609|7.247511|8.977298|0.181897|6.420772|4.566222|3.639760|3.547645|4.239336|5.948975|26.070935|9.428019|10.867523|7.476165|0.244131|5.148656|5.382654|3.969161|5.121761|4.958242|3.578911|4.435234|0.077379|0.094604|3.271980|4.224399|3.200963|4.994946|2.970929|2.769483|4.423226|3.337770|2.688530|2.578333|2.186639|2.054009|2.200462|2.599627|2.887104|2.686369|0.132557|0.138797|0.193460|0.145645|0.213571|0.116884|0.085658|0.082912|0.105005|0.188974|0.500000| |3.174866|3.035231|3.429753|0.093680|2.928923|2.634323|2.297352|2.194693|2.356773|2.722836|6.207043|5.638773|8.503601|8.779616|0.227167|17.576948|12.304511|6.078653|6.383349|4.284536|3.464736|4.678585|0.082407|0.091588|4.215019|6.068705|6.257704|8.143991|5.970384|5.998933|8.019531|5.357087|4.370346|3.554554|2.848441|2.463111|2.479036|2.900925|3.600147|6.297863|0.077399|0.085464|0.104027|0.072464|0.082686|0.073820|0.058952|0.055070|0.061267|0.078297|0.128577|0.500000| |3.866114|3.575057|4.176926|0.120819|3.356004|3.043802|2.555650|2.360376|2.497053|2.943928|7.542504|7.452551|11.970481|8.717347|0.190971|17.637533|12.278879|5.990261|5.716215|4.197635|3.294272|4.143954|0.073909|0.080837|3.450133|4.562347|7.032649|8.910195|6.993636|5.889756|8.436197|6.277733|5.513963|4.630813|3.479642|2.989926|3.079281|3.789421|4.981573|4.972496|0.090439|0.108652|0.127491|0.084479|0.092412|0.088273|0.065651|0.058419|0.063352|0.082668|0.141693|0.303088|0.500000| |2.339831|2.424336|2.914190|0.081858|2.809028|2.760641|2.533539|2.384226|2.416512|2.610056|4.762250|4.542038|8.339358|5.671150|0.126993|5.834180|12.450621|17.605676|8.620220|6.217924|6.078456|7.440377|0.132194|0.122953|6.813820|7.113566|7.054219|12.943780|4.616565|3.912733|5.536786|4.080843|3.578953|3.301665|2.729770|2.468809|2.566369|3.020824|3.545221|3.849236|0.057674|0.064944|0.069854|0.061135|0.065229|0.077972|0.067224|0.061090|0.062329|0.070440|0.091576|0.140413|0.129477|0.500000| |2.749442|2.885717|3.664628|0.106670|3.493843|3.514053|3.099228|2.792363|2.783535|3.071163|5.966451|6.251961|13.317287|6.648278|0.135735|6.348916|12.396241|17.615823|8.764402|7.166772|5.861782|6.173470|0.109024|0.108748|4.806401|5.509754|7.140971|12.827082|4.715792|3.741549|5.484125|4.258318|3.876256|3.813717|3.052493|2.813180|3.055946|3.816408|4.495104|3.411102|0.066137|0.077709|0.081088|0.072539|0.075372|0.102404|0.082001|0.069908|0.069561|0.080561|0.107360|0.135447|0.151912|0.303029|0.500000| |3.033553|3.489035|4.763404|0.127619|5.166100|5.097908|4.520412|4.141314|4.186053|4.629218|7.723026|7.333141|13.358053|6.640908|0.150344|4.729720|6.674416|6.911906|8.774290|17.619690|9.005137|7.627632|0.127057|0.144130|4.860406|5.513884|3.899008|6.704803|3.120695|2.715989|4.184362|3.216726|2.738959|2.730340|2.308023|2.205219|2.423585|2.925582|3.182087|2.602903|0.072521|0.082577|0.087116|0.087521|0.093252|0.134661|0.112231|0.099432|0.100808|0.115744|0.137558|0.109088|0.116503|0.155864|0.218750|0.500000| |3.015012|3.516651|4.514143|0.111210|4.903922|4.316644|3.968419|4.045011|4.529961|5.064271|7.783863|6.342008|9.463786|6.821948|0.183256|4.496282|5.815297|5.452377|8.773635|17.502948|8.905372|9.442182|0.144678|0.207358|5.699572|6.820728|3.334553|5.553973|2.792976|2.550695|3.937049|2.945246|2.429587|2.346469|2.012469|1.905262|2.044840|2.396607|2.622987|2.550734|0.073279|0.078658|0.088202|0.086529|0.099998|0.107379|0.095550|0.097994|0.114924|0.136894|0.157921|0.111418|0.107473|0.130925|0.144629|0.304245|0.500000| |2.203438|2.409992|2.944317|0.080424|3.116774|3.163501|3.085426|2.975196|2.940492|3.007055|4.577669|4.038784|7.367542|4.425631|0.107493|3.773647|6.020804|6.646644|6.722395|8.746334|17.627060|12.410977|0.223897|0.181061|6.935413|5.745111|3.727640|6.922234|2.904466|2.580096|3.932821|2.966138|2.499299|2.446833|2.122172|2.016310|2.155437|2.496390|2.708318|2.561129|0.054742|0.060376|0.063707|0.062069|0.065819|0.085724|0.082115|0.077425|0.075994|0.078665|0.088335|0.093700|0.090480|0.203264|0.186085|0.212855|0.173077|0.500000| |2.243995|2.542301|3.103756|0.081925|3.503033|3.533280|3.620136|3.686574|3.662284|3.571607|4.701040|3.859329|6.759826|4.011241|0.103462|3.233992|4.700231|4.606090|5.452640|8.772416|17.629396|12.356613|0.222786|0.224520|5.572171|4.884338|2.925943|5.250069|2.415390|2.194795|3.423776|2.586838|2.135527|2.107012|1.853464|1.783965|1.917848|2.201738|2.338029|2.191936|0.056074|0.060498|0.063970|0.066031|0.070781|0.090863|0.094134|0.096795|0.095736|0.092122|0.092353|0.081807|0.079547|0.127374|0.130008|0.213172|0.215482|0.301088|0.500000| |2.046073|2.152749|2.504731|0.067766|2.498969|2.414153|2.301409|2.267783|2.339808|2.457529|4.042040|3.516460|6.009370|4.425449|0.113247|4.147877|6.750801|6.530130|6.611929|5.676218|6.906517|12.441512|0.225673|0.181232|17.648536|8.732368|4.070820|7.220624|3.204850|3.000930|4.420533|3.175218|2.616468|2.411084|2.089707|1.922362|1.977480|2.241312|2.521675|3.209467|0.051494|0.055488|0.060860|0.054653|0.059800|0.065746|0.060702|0.059271|0.062292|0.067637|0.081832|0.112173|0.094173|0.239275|0.143965|0.126995|0.131718|0.207561|0.142714|0.500000| |2.002142|2.114795|2.398144|0.063289|2.400477|2.258271|2.169228|2.202107|2.335937|2.446950|3.883777|3.202629|5.230080|4.061009|0.113762|3.675052|5.323557|4.585123|5.430120|4.891928|5.571256|12.363556|0.222333|0.224943|17.625494|8.767365|3.222062|5.491730|2.723958|2.660491|4.002612|2.836468|2.270245|2.079981|1.825675|1.685266|1.725410|1.933803|2.156090|2.942977|0.050976|0.053310|0.059851|0.053515|0.060159|0.060281|0.056487|0.057823|0.063704|0.069158|0.081822|0.105034|0.084536|0.141631|0.105559|0.107537|0.128749|0.142687|0.126449|0.301623|0.500000| |2.653231|2.832810|3.271710|0.083299|3.160460|2.804528|2.581843|2.618647|2.904850|3.230649|5.790885|4.779749|7.025409|7.020132|0.225774|5.333937|6.627777|5.484733|8.775187|6.808164|5.667715|9.353656|0.143713|0.203572|8.912277|17.512617|3.636770|5.777895|3.109999|3.013206|4.498139|3.191095|2.569752|2.336596|2.000352|1.836123|1.899656|2.178679|2.470918|3.266208|0.066160|0.068880|0.081563|0.069064|0.081870|0.073748|0.065005|0.066355|0.078005|0.094373|0.128319|0.153194|0.116240|0.141488|0.122974|0.139354|0.199679|0.132101|0.127406|0.173220|0.217153|0.500000| |2.480828|2.542643|2.921093|0.077703|2.738425|2.512067|2.294999|2.257619|2.419249|2.675814|5.070186|4.470854|6.969987|6.854638|0.187086|6.724989|9.291692|7.012016|8.736702|5.512137|4.882816|7.623552|0.127164|0.143050|9.010184|17.582254|4.829042|7.395580|3.980989|3.903844|5.509106|3.792058|3.085276|2.695685|2.272308|2.036715|2.072024|2.375794|2.777651|4.433303|0.061855|0.066107|0.076847|0.062481|0.071291|0.068382|0.059108|0.057636|0.064169|0.076377|0.106826|0.207108|0.135519|0.191513|0.140400|0.122959|0.139208|0.128920|0.107628|0.214368|0.212240|0.303710|0.500000| |2.060925|1.903046|2.050408|0.062225|1.842411|1.852043|1.668539|1.523877|1.517861|1.651703|2.948441|2.432063|4.713434|2.413619|0.060790|2.876025|4.209434|2.655263|2.275345|2.023948|1.870129|2.383785|0.046060|0.045863|1.892830|2.060972|3.848289|6.814681|4.752050|4.198251|8.653633|9.742922|7.129004|8.921945|17.745423|8.917586|5.645736|4.955998|5.648258|3.201586|0.052870|0.062006|0.060102|0.050001|0.048981|0.055827|0.045830|0.039492|0.039244|0.044929|0.056228|0.075279|0.088350|0.070568|0.076012|0.058378|0.051914|0.054783|0.047984|0.055363|0.048818|0.052850|0.060441|0.500000| |1.947028|1.824258|1.963899|0.060503|1.798386|1.857012|1.687354|1.520733|1.487333|1.599469|2.715721|2.197660|4.355118|2.094098|0.052894|2.352390|3.414213|2.291516|1.999938|1.855525|1.730420|2.169043|0.042231|0.041891|1.671360|1.789672|2.945778|5.426633|3.228241|2.833053|5.419213|5.264104|4.131601|5.641245|8.938713|17.724764|8.908580|5.647056|4.954501|2.327703|0.050228|0.059477|0.055077|0.049040|0.046500|0.056894|0.047170|0.039621|0.038279|0.042909|0.051242|0.060590|0.071485|0.060883|0.067865|0.054636|0.047826|0.050729|0.045270|0.048661|0.043041|0.046330|0.051090|0.215327|0.500000| |2.185790|2.089379|2.298292|0.072924|2.125292|2.265897|2.042202|1.790413|1.717733|1.844519|3.077492|2.490116|5.137695|2.263226|0.056451|2.443329|3.532843|2.467160|2.165519|2.070327|1.913419|2.331379|0.045224|0.045048|1.753770|1.879103|2.935456|5.458282|2.993052|2.545449|4.612243|4.272909|3.571456|4.943184|5.646895|8.912036|17.719149|8.914817|5.646239|2.132978|0.055626|0.068051|0.060363|0.056965|0.052271|0.071700|0.057953|0.046398|0.043570|0.048541|0.056739|0.061131|0.074330|0.064326|0.076079|0.062803|0.053180|0.056087|0.050605|0.050758|0.044605|0.048735|0.052383|0.124146|0.214751|0.500000| |2.814512|2.740905|3.197330|0.106663|2.899548|3.143819|2.707425|2.295256|2.193871|2.407387|4.267581|3.596553|8.084927|3.075118|0.073940|3.258901|4.716360|3.345860|2.894482|2.777014|2.468212|2.902308|0.055248|0.055823|2.166321|2.376553|3.809817|6.952148|3.643936|2.938628|5.055460|4.578071|4.115664|5.642621|4.954221|5.645606|8.908861|17.722570|8.937385|2.443313|0.068840|0.088956|0.077607|0.073610|0.066882|0.104172|0.076024|0.058085|0.054403|0.062292|0.075488|0.077542|0.100858|0.083244|0.108971|0.087573|0.070086|0.072231|0.064639|0.062310|0.053860|0.061106|0.065115|0.107582|0.124083|0.214675|0.500000| |3.196488|3.033531|3.619325|0.117180|3.097945|3.123986|2.634839|2.307953|2.296637|2.598374|5.391140|5.033220|11.465915|4.485497|0.101738|5.363969|7.949696|4.934896|3.988686|3.459085|2.931345|3.484071|0.064701|0.066368|2.723892|3.149780|6.808171|10.927143|6.444022|4.539111|7.329171|6.682071|6.987673|8.864928|5.631089|4.954395|5.658929|8.967235|17.720424|3.508094|0.076172|0.098212|0.093922|0.077045|0.074978|0.098211|0.070866|0.057724|0.057302|0.069015|0.094840|0.118616|0.179106|0.114815|0.157248|0.106017|0.085211|0.085560|0.073334|0.078510|0.066610|0.078896|0.088637|0.123915|0.107558|0.124467|0.217188|0.500000| 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