Version2.0 2020-02-16T12:53:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]3CCC4(CC3)C(=O)N(C(=O)N4CCc5ccc(cc5)OC)C C14744517 RHF 6-31G(d) (6D,7F) C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]3CCC4(CC3)C(=O)N(C(=O)N4CCc5ccc(cc5)OC)C C01[X(C28H36N3O5)] 210 C1 612 COc1ccc(cc1)CCN1C(=O)N(C(=O)C21CC[NH+](CC2)C[C@@H](Cc1ccc2c(c1)OCO2)C)C COc1ccc(cc1)CCN1C(=O)N(C(=O)C21CC[NH+](CC2)C[C@@H](Cc1ccc2c(c1)OCO2)C)C COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](CC3)C[C@H](C)Cc4ccc5OCOc5c4)cc1 InChIKey=INKDCMHBPQRPRE-HXUWFJFHSA-O InChI=1S/C28H35N3O5/c1-20(16-22-6-9-24-25(17-22)36-19-35-24)18-30-14-11-28(12-15-30)26(32)29(2)27(33)31(28)13-10-21-4-7-23(34-3)8-5-21/h4-9,17,20H,10-16,18-19H2,1-3H3/p+1/t20-/m1/s1 InChI=1/C28H35N3O5/c1-20(16-22-6-9-24-25(17-22)36-19-35-24)18-30-14-11-28(12-15-30)26(32)29(2)27(33)31(28)13-10-21-4-7-23(34-3)8-5-21/h4-9,17,20H,10-16,18-19H2,1-3H3/p+1/t20-/m1/s1/fC28H36N3O5/h30H/q+1 C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]3CCC4(CC3)C(=O)N(C(=O)N4CCc5ccc(cc5)OC)C C01[X(C28H36N3O5)] 210 C01 612 COc1ccc(cc1)CCN1C(=O)N(C(=O)C21CC[NH+](CC2)C[C@@H](Cc1ccc2c(c1)OCO2)C)C COc1ccc(cc1)CCN1C(=O)N(C(=O)[C@@]21CC[NH](CC2)C[C@@H](Cc1ccc2c(c1)OCO2)C)C COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH](CC3)C[C@H](C)Cc4ccc5OCOc5c4)cc1 InChIKey=CHUUGAMASLHALG-HXUWFJFHSA-N InChI=1S/C28H36N3O5/c1-20(16-22-6-9-24-25(17-22)36-19-35-24)18-30-14-11-28(12-15-30)26(32)29(2)27(33)31(28)13-10-21-4-7-23(34-3)8-5-21/h4-9,17,20,30H,10-16,18-19H2,1-3H3/t20-/m1/s1 InChI=1/C28H36N3O5/c1-20(16-22-6-9-24-25(17-22)36-19-35-24)18-30-14-11-28(12-15-30)26(32)29(2)27(33)31(28)13-10-21-4-7-23(34-3)8-5-21/h4-9,17,20,30H,10-16,18-19H2,1-3H3/t20-/m1/s1 3748.3345268995 -1618.7624449 1-A 30719.3051 132 480 612 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1143.69 1156.56 1162.78 1190.15 1205.70 1223.39 1232.81 1247.61 1254.10 1292.92 1298.50 1310.90 1332.86 1347.09 1367.92 1370.79 1393.32 1407.24 1418.45 1441.20 1468.86 1481.79 1489.71 1493.99 1515.93 1518.30 1561.22 1570.41 1586.87 1593.16 1609.87 1615.52 1616.84 1642.07 1657.16 1682.82 1691.76 1693.80 1707.80 1716.45 1736.75 1745.57 1754.29 1771.85 1781.69 1813.10 1814.33 1824.75 1832.04 1843.51 1861.30 1866.50 1873.50 1875.42 1883.99 1902.12 1903.09 1929.67 1932.07 1949.51 1985.35 2006.83 2025.97 2045.09 2049.43 2070.67 2074.04 2077.08 2093.19 2114.77 2116.80 2134.54 2146.13 2165.46 2171.84 2179.54 2181.44 2194.55 2223.03 2232.23 2248.82 2261.51 2270.39 2274.17 2279.25 2280.81 2286.51 2298.18 2322.44 2334.21 2340.20 2345.10 2346.58 2350.03 2355.39 2355.66 2366.66 2368.34 2372.90 2374.25 2375.50 2381.47 2385.60 2390.93 2401.32 2416.87 2443.75 2465.38 2553.61 2608.56 2623.85 2626.11 2846.35 2936.63 4588.28 4609.44 4613.28 4619.74 4645.86 4654.98 4662.14 4662.27 4678.80 4685.58 4692.19 4698.63 4705.18 4711.16 4712.12 4723.95 4733.79 4744.42 4753.07 4775.15 4778.24 4779.72 4793.75 4804.56 4806.81 4810.31 4819.61 4824.90 4831.49 4835.51 4849.09 4874.20 4891.74 4898.39 4901.90 5317.97 0.662897 0.694229 0.695174 0.594339 -1618.099548 -1618.068216 -1618.067271 -1618.168106 3.382022D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]3CCC4(CC3)C(=O)N(C(=O)N4CCc5ccc(cc5)OC)C C14744517 RHF 6-31G(d) (6D,10F) C1 494.265497 |X|Y|Z| 88.957886 147.614599 31.870620 74.799971 30 6 7 8 25 3 2 |36.858105| |12.433633|36.858105| |8.880933|17.561606|0.500000| |7.457531|12.314018|0.247919|36.858105| |6.084986|7.422475|0.193989|12.567183|36.858105| |4.736401|5.809260|0.178623|7.578162|13.768578|36.858105| |3.781333|4.185404|0.126710|4.989435|7.822719|13.605747|36.858105| |3.631384|3.744065|0.107398|4.464418|6.923851|8.085307|13.954106|36.858105| |4.139829|4.084025|0.110380|5.058413|8.039369|6.992598|7.940023|13.778731|36.858105| |5.399797|5.426363|0.137351|7.526259|13.553894|7.894694|6.743019|7.920595|13.948128|36.858105| |3.441652|3.266520|0.087760|3.830563|5.190877|4.694006|5.407795|8.550350|14.106189|7.780918|73.516695| |2.872244|2.791296|0.077324|3.189964|4.205773|4.222875|5.355384|8.592623|8.591486|5.356113|23.971388|36.858105| |2.972874|2.982308|0.085293|3.402296|4.663813|5.203135|7.763669|14.098510|8.551058|5.402674|14.917856|13.504673|73.516695| |7.483889|12.421921|0.246083|7.688199|4.935402|4.187006|3.226353|2.923143|3.142854|3.953444|4.693559|2.306675|4.319002|36.858105| |6.286382|7.429864|0.185002|4.921826|3.724954|3.344279|2.727012|2.499977|2.644685|3.164776|4.073307|2.038169|3.803359|12.633854|53.358707| |7.323534|7.076842|0.170933|4.658120|3.651318|3.221547|2.674039|2.502333|2.685560|3.211145|4.179752|2.074245|3.829625|9.310147|25.704334|0.500000| |4.384124|4.917067|0.123958|3.849934|3.007035|2.730671|2.290636|2.127464|2.248362|2.639333|3.540450|1.787860|3.300410|7.664647|17.261926|0.259365|36.858105| |3.644287|3.780343|0.099665|3.030774|2.510950|2.328377|2.012247|1.886858|1.978206|2.262314|3.171188|1.619593|2.979849|4.968220|10.403225|0.200823|12.506645|36.858105| |3.345877|3.501371|0.097918|2.796843|2.390334|2.285859|1.995312|1.849673|1.901798|2.136489|3.045563|1.576932|2.935653|4.290320|8.652815|0.164475|7.396786|12.364513|36.858105| |4.036834|4.239963|0.124550|3.198861|2.751146|2.659334|2.298129|2.102865|2.145074|2.414783|3.389389|1.753574|3.303425|4.937817|10.389392|0.199257|6.539827|7.565719|12.330651|36.858105| |5.146099|6.085941|0.184567|4.217535|3.447171|3.304078|2.735172|2.450355|2.504238|2.894639|3.856019|1.973601|3.754278|7.578046|17.272382|0.258981|7.727948|6.506085|7.335343|12.490025|36.858105| |2.886287|2.876133|0.080348|2.360758|2.080737|1.996405|1.782491|1.675619|1.722895|1.905164|2.802845|1.459820|2.698557|3.309897|6.094535|0.126493|4.930470|7.655290|12.389977|7.687752|4.927907|36.858105| |2.958502|2.827567|0.078167|2.317224|2.062707|1.962266|1.764434|1.677354|1.737160|1.916742|2.846565|1.477463|2.712441|3.162368|5.723844|0.126394|4.423903|6.448174|7.879524|6.418949|4.417775|15.993296|73.516695| |2.434468|2.471356|0.069730|2.089144|1.863985|1.812445|1.633889|1.532635|1.561993|1.708987|2.552537|1.342212|2.486573|2.813670|4.882474|0.098122|3.988185|5.556818|8.168196|5.641332|4.004076|14.116651|14.815662|53.358707| |2.389684|2.511521|0.071375|2.143093|1.897548|1.859536|1.665783|1.547066|1.567317|1.718271|2.544946|1.341736|2.500086|2.915817|4.985786|0.095543|4.180084|5.485740|8.169752|5.550645|4.182092|8.409597|9.897420|18.655114|36.858105| |2.103067|2.222392|0.063368|1.940383|1.736944|1.716779|1.551090|1.440452|1.451046|1.578002|2.365865|1.255877|2.341983|2.542448|4.156277|0.079510|3.437317|4.185305|5.470668|4.232012|3.442759|5.599843|7.502303|11.310296|16.020183|73.516695| |2.789599|3.012492|0.085534|2.514587|2.174313|2.118165|1.863040|1.715615|1.743364|1.937378|2.798395|1.464692|2.739076|3.649230|6.552029|0.119507|5.714031|7.531046|13.132053|7.531635|5.658789|8.255545|9.784197|11.633996|13.951875|14.822047|53.358707| |2.672537|3.013221|0.086118|2.584771|2.219558|2.184899|1.908662|1.738223|1.753891|1.950864|2.797708|1.469703|2.764615|3.706073|6.174914|0.107345|5.375967|5.751650|7.242235|5.697424|5.270652|5.073773|6.936836|7.186123|7.822110|12.079801|17.751895|36.858105| |2.400522|2.688960|0.074708|2.391971|2.048701|1.995003|1.752053|1.612062|1.638590|1.823182|2.633863|1.382032|2.576911|3.331640|5.254941|0.093099|4.892546|5.088111|5.303659|4.139663|4.014037|4.135595|5.942281|5.926984|5.952081|10.220174|10.322818|12.414962|36.858105| |2.223096|2.539112|0.070956|2.337757|2.016167|1.986120|1.747555|1.598022|1.612271|1.785322|2.587282|1.365668|2.556631|3.086756|4.539483|0.080312|3.968090|3.799299|3.880612|3.358226|3.456394|3.152883|4.743579|4.469237|4.193635|7.596022|6.758923|7.561403|12.592098|36.858105| |1.968932|2.225110|0.063101|2.070893|1.829826|1.831008|1.634876|1.493426|1.491668|1.629305|2.406017|1.282779|2.409679|2.599880|3.780455|0.068331|3.139707|3.084767|3.275670|2.929234|2.959698|2.791970|4.243288|4.076201|3.811253|7.357149|5.691380|5.908576|7.533587|13.624632|36.858105| |1.824988|2.070068|0.058775|1.973279|1.763039|1.778574|1.598631|1.458300|1.448720|1.572350|2.340583|1.255021|2.361472|2.371999|3.334608|0.060714|2.695407|2.587453|2.697612|2.499446|2.583407|2.339393|3.644148|3.361220|3.001610|5.714828|4.429698|4.270690|5.013766|7.882617|13.862541|36.858105| |1.862044|2.137212|0.060126|2.080963|1.848102|1.857845|1.661417|1.514504|1.508267|1.643735|2.430608|1.300401|2.444004|2.458150|3.349106|0.060711|2.700303|2.504321|2.527317|2.373928|2.528520|2.173694|3.434915|3.044655|2.645607|4.872229|3.988542|3.756836|4.411292|6.789496|7.927078|13.644683|36.858105| |2.069374|2.407306|0.066709|2.349930|2.038990|2.019138|1.779050|1.622914|1.632110|1.802864|2.616111|1.386168|2.596272|2.852283|3.834884|0.068511|3.167466|2.837130|2.769402|2.580018|2.811766|2.326504|3.676993|3.191864|2.758405|4.931280|4.298264|4.084251|4.987497|7.853785|6.884486|7.940201|13.760761|36.858105| |2.287661|2.661989|0.073283|2.518755|2.143324|2.096099|1.828833|1.671141|1.693524|1.889280|2.707282|1.423281|2.659860|3.277959|4.569604|0.080188|3.977359|3.546978|3.419591|3.070571|3.326271|2.779276|4.306798|3.798511|3.362869|5.903866|5.449201|5.484281|7.528682|13.790887|8.012945|6.920817|7.943088|13.685456|36.858105| |1.695464|1.933482|0.054501|1.915260|1.729890|1.752536|1.585719|1.448448|1.434801|1.548947|2.323200|1.251686|2.353269|2.170732|2.913423|0.053505|2.298182|2.137192|2.155653|2.060401|2.195376|1.890402|3.030416|2.641942|2.245833|4.141209|3.323750|2.996384|3.367493|4.595817|5.306806|8.211250|14.191174|7.878591|5.203621|73.516695| |1.668708|1.906290|0.053275|1.928929|1.746320|1.763292|1.597833|1.464582|1.454135|1.569544|2.357830|1.270164|2.380866|2.125683|2.789213|0.051449|2.184911|2.001131|1.980667|1.910096|2.062104|1.741619|2.826018|2.400389|2.001728|3.633723|2.974854|2.614823|2.911680|3.770482|3.987454|5.256871|8.011666|6.708468|4.504312|24.161999|36.858105| |2.103804|2.103621|0.059285|1.814682|1.647546|1.607773|1.470391|1.390527|1.414807|1.530785|2.336237|1.235900|2.279950|2.331708|3.876730|0.079318|3.094395|4.024931|5.075069|4.065832|3.105550|7.653540|11.555571|17.797199|7.597209|11.715153|7.148795|3.873400|3.428844|2.736456|2.581675|2.181222|1.975106|2.038200|2.360968|3.100291|1.590568|36.858105| |17.523425|8.747585|0.173066|6.667797|5.313179|4.049349|3.329617|3.304390|3.889656|5.115782|5.952235|2.751482|4.910441|6.863185|7.872079|0.191730|4.385391|3.632707|3.187666|3.639006|4.427741|2.786928|5.128832|3.200363|2.295901|3.600150|3.621326|2.542815|2.342590|2.164944|1.905870|1.768053|1.813536|2.029277|2.246303|2.937808|1.636171|2.046002|0.500000| |17.507187|8.673786|0.212840|5.421658|4.673398|3.986843|3.320401|3.170623|3.481452|4.222098|5.322082|2.576532|4.760485|6.608697|9.262295|0.245687|4.601524|4.024828|3.781757|4.773564|5.857922|3.294683|6.119707|3.687735|2.607792|4.021121|4.138945|2.821507|2.482395|2.252247|1.999005|1.831935|1.843199|2.032605|2.270328|2.968690|1.626177|2.325149|0.300262|0.500000| |17.621400|8.822325|0.211391|6.918881|6.898858|5.299363|4.352369|4.314719|5.055367|6.588509|7.317040|3.354136|6.171051|5.477158|6.397668|0.145645|3.520621|3.039447|2.870609|3.439334|4.200013|2.544804|4.658986|2.977543|2.144502|3.399701|3.339482|2.365537|2.134742|2.003526|1.802670|1.688588|1.723593|1.893996|2.059947|2.821557|1.568437|1.924114|0.302242|0.304962|0.500000| |5.479670|8.831208|0.211955|17.530577|8.933300|7.057804|4.693882|4.030357|4.302316|5.756922|5.958858|2.902517|5.582474|7.336249|6.397437|0.117305|3.838531|2.982986|2.772801|3.122298|4.146690|2.311203|3.964407|2.824091|2.167600|3.517946|3.484223|2.709690|2.527187|2.527209|2.232529|2.147505|2.298148|2.621737|2.778597|3.759734|2.144645|1.796640|0.139495|0.122287|0.140261|0.500000| |6.900198|8.818860|0.174647|17.535389|8.896299|5.638462|4.178124|4.007355|4.799008|7.270230|6.772151|3.094690|5.624920|6.943535|6.259458|0.124366|3.791338|2.982223|2.669642|2.955762|3.750541|2.280106|4.012307|2.743234|2.054065|3.309645|3.256393|2.441872|2.311519|2.251615|1.983782|1.891039|2.004040|2.279131|2.445239|3.284197|1.874606|1.761065|0.201261|0.139439|0.174684|0.303985|0.500000| |4.440956|5.862213|0.195423|7.047854|8.936464|17.697598|8.930323|5.723308|5.012408|5.623043|6.597927|3.447685|7.420622|4.427865|4.817423|0.091932|2.880879|2.439168|2.428468|2.848809|3.616776|2.090111|3.603045|2.596613|1.982224|3.258916|3.100541|2.387642|2.157254|2.166628|2.000345|1.946290|2.034551|2.208960|2.288284|3.400953|1.915166|1.679571|0.104613|0.107424|0.129808|0.207870|0.142561|0.500000| |3.241155|3.590641|0.111120|4.071255|5.585968|8.795860|17.749505|8.935628|5.640826|4.886646|7.768964|4.647806|12.171972|2.886943|3.408801|0.067779|2.130609|1.894972|1.905752|2.192329|2.573758|1.710762|2.996935|2.155026|1.620757|2.701409|2.451215|1.854059|1.697196|1.703659|1.611486|1.584799|1.641556|1.738487|1.773459|2.803239|1.585188|1.431069|0.079641|0.081692|0.100908|0.110877|0.096160|0.213787|0.500000| |5.522144|5.180864|0.123854|6.902823|8.767192|5.607945|4.885550|5.640768|8.963823|17.731195|12.267017|4.665816|7.782465|3.951379|4.322734|0.091030|2.689045|2.302699|2.132989|2.373811|2.812018|1.911567|3.443264|2.322660|1.705674|2.777571|2.613441|1.919841|1.812322|1.763430|1.599536|1.538210|1.609425|1.775129|1.870266|2.689258|1.535495|1.531061|0.159148|0.118320|0.180676|0.145747|0.218372|0.123344|0.106420|0.500000| |2.563033|2.533716|0.069762|2.929978|3.740175|3.753968|4.621031|6.641201|6.641648|4.621574|16.547803|17.618231|16.551796|2.143497|2.575681|0.053152|1.683047|1.524491|1.479993|1.628441|1.826689|1.370719|2.458125|1.724869|1.271404|2.125192|1.884772|1.397060|1.324068|1.316573|1.239647|1.219494|1.269157|1.351447|1.378306|2.183560|1.253634|1.169736|0.069128|0.064045|0.080951|0.075688|0.080065|0.087332|0.115147|0.115576|0.500000| |2.700079|2.564823|0.071336|2.829264|3.586666|3.597607|4.424249|6.335962|6.336640|4.427254|16.570501|17.678791|16.577313|2.140034|2.623297|0.054921|1.696123|1.555010|1.520663|1.690430|1.876877|1.421494|2.572073|1.780108|1.299729|2.163718|1.918832|1.404623|1.318725|1.296882|1.221719|1.192390|1.228700|1.304397|1.342700|2.101866|1.195023|1.211070|0.071973|0.068585|0.087673|0.071440|0.076493|0.084025|0.111069|0.111537|0.297031|0.500000| |6.744953|8.831527|0.173873|7.092947|4.585446|3.751399|2.966947|2.771195|3.058569|3.888437|4.649054|2.257534|4.138251|17.604642|12.456622|0.221788|7.410402|4.793458|3.884520|4.162950|5.598465|3.096414|5.336469|3.599773|2.715891|4.241149|4.530945|3.361056|3.171541|2.945739|2.467231|2.263802|2.371052|2.781517|3.187239|3.738651|2.083997|2.221518|0.201755|0.160475|0.140156|0.184649|0.211393|0.106310|0.073370|0.113102|0.058773|0.058153|0.500000| |5.461322|8.754015|0.214465|6.977501|4.644468|4.165669|3.194086|2.826070|2.959809|3.636157|4.416138|2.209777|4.187272|17.612452|12.431737|0.182134|6.983348|4.595737|4.125931|4.629610|7.078736|3.140503|5.193498|3.747123|2.946497|4.636157|5.077329|4.028373|3.637039|3.488491|2.903982|2.664765|2.802490|3.311704|3.808973|4.357213|2.399905|2.278076|0.139440|0.137721|0.122767|0.220863|0.168750|0.128619|0.080783|0.098565|0.057629|0.056648|0.301796|0.500000| |4.364909|4.737695|0.113728|3.890335|3.004477|2.660429|2.238985|2.111658|2.269714|2.690963|3.598517|1.799597|3.280893|7.242606|12.378753|0.223579|17.628616|8.849132|5.441824|4.896103|5.630363|4.130470|6.921274|4.655761|3.505573|5.287649|6.052127|4.261435|4.183052|3.540997|2.833574|2.486802|2.537787|3.002243|3.685021|3.889139|2.116039|2.769978|0.129086|0.122583|0.097279|0.106442|0.111705|0.076483|0.057350|0.077852|0.047249|0.047341|0.234992|0.175860|0.500000| |3.841399|4.565084|0.118783|3.756999|2.937460|2.720637|2.275228|2.087130|2.178230|2.539935|3.417213|1.740965|3.237294|7.060385|12.433252|0.182210|17.639712|8.717114|6.567744|5.790306|7.094826|4.388298|6.770725|5.168053|4.240936|6.369200|8.136648|6.469654|6.053735|4.960192|3.719218|3.148495|3.182314|3.851668|5.088398|4.695986|2.491117|2.958190|0.104882|0.108682|0.088396|0.109098|0.101227|0.081322|0.059290|0.070980|0.045807|0.045658|0.183651|0.212302|0.302093|0.500000| |3.814656|3.714220|0.096455|2.963167|2.485995|2.279076|1.985962|1.886590|1.997066|2.282446|3.226844|1.639164|2.991365|4.637618|9.389148|0.212868|8.911750|17.555162|8.910851|6.710003|5.674498|7.503699|13.382341|6.992394|4.626466|6.447147|7.666447|4.389151|3.969236|3.127323|2.626925|2.255352|2.195210|2.457408|2.969612|3.393347|1.805467|3.937867|0.107936|0.120256|0.088120|0.078951|0.082086|0.065237|0.051683|0.065235|0.042706|0.043959|0.127777|0.113603|0.217554|0.173004|0.500000| |3.084102|3.211773|0.084593|2.696071|2.258022|2.102186|1.835090|1.729236|1.811221|2.055318|2.928498|1.502664|2.752491|4.135255|7.588953|0.146036|8.947720|17.593648|8.792439|5.509705|4.889411|6.703407|9.958726|7.469255|5.597109|7.803934|9.751113|5.714867|5.707442|4.077521|3.252026|2.693005|2.596265|2.955458|3.760920|3.909099|2.052006|4.081136|0.086840|0.092058|0.073118|0.074704|0.074681|0.061063|0.048226|0.058334|0.039568|0.040097|0.115107|0.110274|0.213548|0.212016|0.303625|0.500000| |4.295850|4.170006|0.120545|3.122053|2.732702|2.612072|2.283221|2.120025|2.180674|2.447019|3.472044|1.788772|3.346333|4.584293|9.299956|0.208714|5.646352|6.687131|8.908849|17.556320|8.924884|7.577550|13.357563|7.123760|4.684045|6.523587|7.681856|4.364881|3.431744|2.846736|2.521232|2.191351|2.097588|2.269381|2.648698|3.285466|1.731100|3.995822|0.107612|0.149704|0.101927|0.082292|0.080998|0.076086|0.060159|0.067315|0.045874|0.048253|0.110401|0.113804|0.126545|0.132117|0.192807|0.137581|0.500000| |3.502652|3.715599|0.113211|2.905960|2.574034|2.557659|2.242779|2.035901|2.041994|2.258654|3.235076|1.696026|3.222316|4.112107|7.592055|0.144990|4.926447|5.516252|8.788779|17.584902|8.958494|6.726752|9.867023|7.656120|5.727746|7.985576|9.797294|5.656420|3.959588|3.288179|2.970645|2.538253|2.370191|2.517226|2.946531|3.675207|1.897519|4.149735|0.086998|0.112613|0.086082|0.079772|0.073824|0.076932|0.060355|0.060938|0.043790|0.045547|0.096915|0.111587|0.108154|0.130643|0.137752|0.123743|0.303457|0.500000| |4.343293|5.493532|0.170041|4.122141|3.361261|3.303299|2.720315|2.398193|2.417512|2.776944|3.710266|1.916751|3.673760|7.044724|12.456721|0.182259|7.057478|5.701022|6.453278|8.702733|17.651576|4.355812|6.729566|5.151231|4.208569|6.336515|7.958947|6.218541|4.555671|4.037121|3.416712|2.966447|2.906769|3.254355|3.890080|4.420468|2.313154|2.952389|0.106036|0.128233|0.102028|0.119110|0.100751|0.103652|0.071952|0.074189|0.049683|0.050318|0.145975|0.217705|0.144797|0.214445|0.131532|0.128145|0.173197|0.213669|0.500000| |5.925864|6.963976|0.240204|4.578114|3.869275|3.774529|3.099691|2.740852|2.773349|3.196416|4.214881|2.157876|4.155499|7.058566|12.355526|0.223839|5.626820|4.899427|5.429811|8.875976|17.664686|4.152720|6.954069|4.700081|3.518728|5.310274|6.008726|4.172654|3.304250|2.957360|2.612544|2.337270|2.301224|2.521827|2.883558|3.622274|1.930671|2.794936|0.131302|0.193233|0.137003|0.121234|0.108872|0.115113|0.080773|0.084539|0.054845|0.057031|0.143400|0.177378|0.126768|0.144743|0.127955|0.107887|0.220369|0.213091|0.302673|0.500000| |3.017460|3.538299|0.102235|2.990437|2.519609|2.484159|2.131428|1.918227|1.932554|2.170916|3.045653|1.593560|3.016373|4.485298|7.436096|0.122136|6.195388|5.811659|6.907593|6.255265|6.620753|4.600256|6.566098|6.043671|5.781077|8.893952|12.470935|17.621419|8.824306|6.928346|5.328237|4.129769|3.820419|4.289571|5.723363|5.440772|2.713629|3.351949|0.078630|0.087681|0.073419|0.088300|0.077211|0.076506|0.057298|0.058951|0.041970|0.042059|0.108854|0.141283|0.131168|0.223558|0.123119|0.149466|0.128719|0.168140|0.247713|0.139736|0.500000| |2.424812|2.719547|0.079153|2.369124|2.079903|2.082615|1.841103|1.670619|1.667720|1.832314|2.668142|1.414679|2.674131|3.204814|5.137528|0.091600|4.177116|4.436517|5.662860|4.915009|4.512613|4.445554|6.217160|6.672339|7.360333|13.120021|12.568354|17.633092|8.860808|6.946525|6.455846|4.598135|3.827209|3.916206|4.920773|5.475091|2.627108|3.776855|0.063618|0.071026|0.060696|0.069148|0.061757|0.063520|0.050223|0.049727|0.037404|0.037640|0.080551|0.096863|0.095869|0.133977|0.100323|0.121860|0.107891|0.147268|0.147529|0.104936|0.305202|0.500000| |2.167419|2.371282|0.065915|2.121996|1.847322|1.802285|1.602947|1.485675|1.509343|1.664987|2.447013|1.289105|2.394904|2.855664|4.500337|0.082457|4.089121|4.536244|4.834880|3.712450|3.443362|4.116114|5.901084|6.289687|6.493589|12.256642|9.499874|8.911156|17.580249|8.874034|6.947017|4.673642|3.961501|4.231359|5.746553|5.541992|2.684968|3.739555|0.059038|0.062657|0.054057|0.061599|0.057298|0.053693|0.043277|0.046094|0.034352|0.034334|0.076336|0.084498|0.100107|0.130506|0.102277|0.145870|0.087981|0.100392|0.104510|0.080702|0.174293|0.213715|0.500000| |2.553684|2.849754|0.077309|2.529799|2.131180|2.039697|1.780159|1.648913|1.694670|1.903995|2.724830|1.418148|2.627166|3.643632|5.793199|0.102304|5.907181|6.023340|5.504156|4.171249|4.126135|4.217528|6.174115|5.727956|5.299217|8.570077|9.370755|8.812486|17.525881|8.898942|5.603336|4.190785|3.964579|4.736625|7.222516|5.517207|2.783826|3.314968|0.070320|0.073003|0.062324|0.073879|0.068917|0.060726|0.047461|0.053090|0.037743|0.037535|0.098989|0.109129|0.142853|0.208190|0.126512|0.202676|0.097711|0.105582|0.126270|0.093204|0.210231|0.173623|0.303691|0.500000| |1.889713|2.104267|0.060025|1.939437|1.730721|1.736934|1.562733|1.431598|1.427029|1.549939|2.311164|1.235853|2.321110|2.425898|3.595889|0.065854|2.959150|3.019215|3.318652|2.940446|2.867842|2.905769|4.375003|4.390104|4.212343|8.646085|5.949577|5.949388|6.990687|8.878616|17.694520|8.996871|5.648281|4.956407|5.673917|7.633226|3.335437|2.808888|0.050673|0.053856|0.048232|0.057376|0.051539|0.052507|0.042920|0.042255|0.033107|0.032847|0.063704|0.073877|0.073737|0.094638|0.071953|0.088396|0.070483|0.084442|0.090423|0.070628|0.139513|0.197881|0.203613|0.141440|0.500000| |1.679086|1.886148|0.053833|1.804424|1.635216|1.661211|1.509149|1.379132|1.363269|1.466977|2.212694|1.193692|2.248001|2.120336|2.978970|0.054900|2.367821|2.303737|2.428442|2.275574|2.325626|2.153965|3.380998|3.123400|2.755323|5.334683|3.949798|3.652446|4.082972|5.611278|8.910308|17.740760|8.949544|5.664435|4.978805|13.514390|4.877146|2.065730|0.045110|0.046920|0.043514|0.054224|0.047989|0.050366|0.041818|0.039778|0.032267|0.031589|0.056183|0.065388|0.060954|0.075111|0.056594|0.066245|0.056012|0.064958|0.073207|0.059293|0.097428|0.112115|0.110299|0.096298|0.215701|0.500000| |2.064104|2.411026|0.066119|2.412310|2.089508|2.058430|1.811417|1.656867|1.671975|1.851192|2.679891|1.417489|2.647482|2.839433|3.700538|0.066468|3.020269|2.652016|2.536021|2.396679|2.652125|2.145826|3.442380|2.903731|2.450857|4.329508|3.807155|3.468826|4.085526|5.628631|4.961778|5.632734|8.876871|17.760750|8.931608|12.474700|7.414804|1.868655|0.056611|0.055613|0.052660|0.075550|0.065575|0.062288|0.048998|0.050749|0.038571|0.036894|0.078145|0.091818|0.081493|0.100565|0.064760|0.076260|0.059339|0.064406|0.084187|0.066907|0.102924|0.091408|0.097981|0.113109|0.107647|0.124185|0.500000| |2.494552|2.920975|0.078633|2.764518|2.299265|2.207339|1.905946|1.749689|1.793077|2.025521|2.859106|1.489171|2.768529|3.728366|5.131449|0.089069|4.661704|3.947328|3.593847|3.205594|3.549132|2.874953|4.494998|3.822047|3.300696|5.609807|5.467532|5.216549|6.955691|8.929366|5.665373|4.973629|5.663615|8.964210|17.671924|7.468029|3.912165|2.358240|0.068848|0.068222|0.061639|0.084813|0.075547|0.066469|0.050795|0.056173|0.040023|0.038926|0.103176|0.121007|0.123001|0.172009|0.091099|0.117062|0.077238|0.083001|0.113751|0.084486|0.156554|0.123056|0.146596|0.219470|0.124201|0.107912|0.218154|0.500000| |1.539771|1.743815|0.048900|1.771035|1.625531|1.650928|1.512350|1.390173|1.374331|1.470794|2.239789|1.213961|2.275471|1.914612|2.514970|0.046808|1.949436|1.803298|1.795653|1.742490|1.868058|1.598823|2.609441|2.210115|1.828071|3.333869|2.682451|2.317056|2.535886|3.171785|3.417900|4.421615|5.887792|4.897497|3.614024|16.998245|17.659586|1.479453|0.041909|0.041720|0.040496|0.054343|0.047807|0.049620|0.041907|0.039903|0.033382|0.031784|0.052120|0.059393|0.052543|0.060838|0.045609|0.051210|0.044191|0.048351|0.057677|0.049046|0.066372|0.065300|0.066030|0.067259|0.082358|0.121661|0.145262|0.089032|0.500000| |1.649666|1.872415|0.051756|1.897230|1.707455|1.703844|1.542483|1.424992|1.426443|1.545286|2.321604|1.245137|2.318169|2.104459|2.763790|0.051162|2.196681|2.012704|1.961783|1.869712|2.010450|1.730724|2.816052|2.380554|1.975633|3.575897|2.931010|2.551454|2.912848|3.733816|3.812690|4.787882|7.062865|6.715050|4.575294|16.438775|17.566687|1.580401|0.045321|0.044602|0.042939|0.058303|0.051796|0.050959|0.042235|0.042312|0.034178|0.032563|0.058094|0.065527|0.059820|0.069417|0.050531|0.057938|0.047273|0.051115|0.062058|0.052027|0.072957|0.070071|0.075058|0.078898|0.088710|0.120767|0.221690|0.113226|0.299958|0.500000| |1.784100|2.066153|0.057822|2.115735|1.909703|1.935724|1.742508|1.586183|1.571073|1.701234|2.530763|1.361995|2.563515|2.299836|2.962255|0.054302|2.292024|2.060788|2.032492|1.986987|2.185068|1.769249|2.877406|2.412101|2.003564|3.591670|3.018881|2.657431|2.896833|3.704637|3.773768|4.733238|7.002992|6.698985|4.551458|16.432178|17.559397|1.587667|0.048434|0.047935|0.046601|0.066294|0.056832|0.058818|0.048003|0.046022|0.037365|0.035416|0.062398|0.073128|0.061661|0.072954|0.051632|0.058059|0.049945|0.054682|0.068601|0.057088|0.078416|0.073577|0.072815|0.077634|0.087772|0.119300|0.223551|0.112744|0.300080|0.298648|0.500000| |1.993099|1.987476|0.055361|1.733211|1.570388|1.523139|1.394667|1.326057|1.355764|1.468135|2.248414|1.187524|2.178902|2.215132|3.637054|0.074614|2.971449|3.861722|4.489353|3.540058|2.814991|6.349979|10.160480|12.363421|6.316372|10.278513|6.307318|3.561239|3.335108|2.665907|2.502705|2.122021|1.931308|1.999893|2.315905|3.036013|1.563584|17.616802|0.054535|0.060609|0.050634|0.047696|0.047164|0.044000|0.037614|0.041028|0.031323|0.032319|0.059550|0.060077|0.075521|0.078875|0.106074|0.113674|0.097061|0.097299|0.074709|0.070313|0.085671|0.094930|0.103128|0.091368|0.075208|0.055770|0.051106|0.064607|0.040406|0.043482|0.043149|0.500000| 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