Version2.1 2020-12-01T07:12:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)[C@@H]1[C@H]2C[C@H]3Cc4c(ccc(c4C(=O)C3=C([C@]2(C(=O)C(=C1[O-])C(=O)N)O)O)O)N(C)C C19800833 RHF 6-31G(d) (6D,7F) C[NH+](C)[C@@H]1[C@H]2C[C@H]3Cc4c(ccc(c4C(=O)C3=C([C@]2(C(=O)C(=C1[O-])C(=O)N)O)O)O)N(C)C C01[X(C23H27N3O7)] 174 C1 549 C[NH+]([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@@H]1C[C@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)[O-])C C[NH+]([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@@H]1C[C@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)[O-])C CN(C)c1ccc(O)c2C(=O)C3=C(O)[C@]4(O)[C@H](C[C@H]3Cc12)[C@@H]([NH+](C)C)C(=C(C(N)=O)C4=O)[O-] InChIKey=DYKFCLLONBREIL-PYOFKWECSA-N InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m1/s1 InChI=1/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m1/s1/f/h29h,26H,24H2 C[NH+](C)[C@@H]1[C@H]2C[C@H]3Cc4c(ccc(c4C(=O)C3=C([C@]2(C(=O)C(=C1[O-])C(=O)N)O)O)O)N(C)C C01[X(C23H27N3O7)] 174 C01 549 C[NH+]([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@@H]1C[C@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)[O-])C C[NH]([C@H]1[C](=O)[C]([C](=O)[C@]2([C@@H]1C[C@H]1C[C]3[C]([CH][CH][C]([C]3[C]([O])C1=C2O)O)N(C)C)O)C(=O)N)C CN(C)[C]1[CH][CH][C](O)[C]2[C]([O])C3=C(O)[C@]4(O)[C@H](C[C@H]3C[C]12)[C@@H]([NH](C)C)C(=O)[C](C(N)=O)C4=O InChIKey=HQMSALVLHBIXLG-PYOFKWECSA-N InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,26-27,30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m1/s1 InChI=1/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,26-27,30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m1/s1/f/h24H2 3643.6791504476 -1574.0415699 1-A 16241.6050 121 428 549 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.60380 -20.60265 -20.58400 -20.56513 -20.52050 -20.50733 -20.47576 -15.72405 -15.55975 -15.52700 -11.35358 -11.33935 -11.32696 -11.32172 -11.31943 -11.31566 -11.31356 -11.31235 -11.30873 -11.30703 -11.27553 -11.26221 -11.25800 -11.25395 -11.25247 -11.25041 -11.24911 -11.24796 -11.24196 -11.23380 -11.23372 -11.22871 -11.18345 -1.45117 -1.42466 -1.41016 -1.39273 -1.37958 -1.35834 -1.35226 -1.33840 -1.24934 -1.17859 -1.16184 -1.15467 -1.11223 -1.06232 -1.04827 -1.03993 -1.02252 -1.01116 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0.6028 0.4446 0.1667 0.0895 0.8319 0.8567 0.8567 0.2639 0.5056 0.8110 0.8387 0.6680 0.8555 0.8102 0.3864 0.2181 0.3274 0.3553 0.3130 0.7116 0.3965 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 6 7 1 6 6 1 6 1 6 6 1 6 6 6 6 6 6 6 6 8 6 6 6 6 8 6 6 8 6 8 7 8 8 8 7 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 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 15.99491 15.99491 15.99491 14.00307 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 7801.7421 24181.1733 26206.8703 0.99979 0.01714 -0.01156 -0.01702 0.99980 0.01076 0.01174 -0.01056 0.99988 1 0.01110 0.00358 0.00331 0.23133 0.07463 0.06887 32.45 47.95 53.80 70.10 85.54 111.54 123.18 129.01 131.76 153.93 182.00 214.33 230.51 260.87 272.61 304.00 317.03 320.98 339.21 355.02 356.91 362.57 371.74 379.71 420.84 431.07 445.01 454.15 473.67 521.27 542.46 551.70 561.68 600.85 650.13 669.98 673.08 675.24 694.05 706.59 720.16 727.03 741.81 766.59 775.03 799.82 809.90 830.25 858.09 880.20 898.60 915.93 939.96 976.23 985.90 995.04 1013.33 1044.70 1056.54 1119.48 1124.75 1131.23 1156.27 1192.03 1207.68 1227.58 1292.24 1301.96 1314.19 1349.24 1363.55 1376.84 1420.75 1462.31 1509.41 1532.29 1547.41 1582.91 1590.75 1593.40 1607.07 1619.98 1652.88 1667.35 1670.18 1674.96 1702.72 1744.48 1747.73 1761.13 1790.84 1799.72 1803.21 1835.21 1849.52 1864.46 1873.25 1886.32 1899.25 1910.69 1950.28 1958.74 1980.69 1982.98 2011.67 2050.12 2055.05 2081.66 2097.05 2107.05 2122.66 2131.70 2137.87 2160.87 2167.54 2179.32 2207.87 2221.36 2226.71 2237.39 2266.94 2272.87 2291.60 2292.18 2295.61 2330.30 2333.70 2337.04 2343.30 2347.56 2352.65 2363.03 2365.79 2369.01 2371.34 2377.55 2377.87 2399.85 2413.72 2539.85 2557.23 2571.19 2599.70 2620.63 2682.63 2711.51 2802.51 4521.52 4526.42 4532.83 4595.67 4637.24 4646.58 4663.65 4672.36 4688.21 4701.38 4707.53 4732.78 4740.12 4747.11 4757.24 4814.78 4829.93 4849.41 4860.97 4879.45 4893.17 5249.45 5480.20 5498.70 5642.90 5662.11 5822.62 0.530094 0.558301 0.559245 0.471820 -1573.511476 -1573.483269 -1573.482325 -1573.569750 2.932249D-04 MUNgauss RevisionA2.0 retrievium 01-Dec-2020 DUDE C[NH+](C)[C@@H]1[C@H]2C[C@H]3Cc4c(ccc(c4C(=O)C3=C([C@]2(C(=O)C(=C1[O-])C(=O)N)O)O)O)N(C)C C19800833 RHF 6-31G(d) (6D,10F) C1 457.184901 |X|Y|Z| 53.266004 42.126650 107.840668 62.315565 18 6 18 |36.858105| |12.719202|53.358707| |9.285166|25.644013|0.500000| |7.771988|17.478845|0.261496|36.858105| |7.579214|17.018835|0.259144|7.612418|36.858105| |6.819395|12.377987|0.182621|7.191504|17.628659|0.500000| |4.928818|10.186089|0.202350|6.130596|12.475377|0.243787|36.858105| |4.496496|9.288894|0.181784|6.815367|8.788783|0.208897|17.552110|0.500000| |3.804824|6.680993|0.130287|4.271665|7.620667|0.193554|12.399106|0.247394|36.858105| |3.005154|5.119077|0.104121|3.509192|4.933972|0.128032|7.543578|0.196608|12.488888|36.858105| |2.881811|4.923238|0.098524|3.573899|4.554334|0.123437|6.665097|0.203336|8.944054|17.457374|0.500000| |2.533770|4.071812|0.082342|2.787914|3.794653|0.102211|4.915934|0.127009|7.549365|12.486676|0.249517|36.858105| |2.159939|3.424582|0.070194|2.410565|3.009659|0.081075|3.788912|0.103228|4.925654|7.586192|0.193769|12.601530|36.858105| |1.908822|2.956220|0.060037|2.103174|2.550532|0.070196|3.048349|0.083799|3.827006|5.097292|0.139540|7.565394|13.769345|36.858105| |1.704731|2.618245|0.053571|1.883524|2.195828|0.060192|2.586057|0.072098|3.067792|3.931121|0.110304|5.023548|7.960770|13.612523|36.858105| |1.678048|2.590736|0.053664|1.871937|2.137457|0.057788|2.542613|0.071520|2.911777|3.762489|0.105757|4.426455|6.822290|7.856233|13.900187|36.858105| |1.840030|2.886728|0.060523|2.076707|2.384478|0.063339|2.923743|0.082366|3.311999|4.482898|0.123885|4.995592|7.815150|6.786649|7.969755|13.672418|36.858105| |2.112085|3.376048|0.070725|2.394912|2.874459|0.075644|3.677745|0.102186|4.368784|6.624074|0.173482|7.556172|13.471959|7.854300|6.889373|7.882050|13.564688|36.858105| |2.372069|3.887767|0.083547|2.726781|3.288967|0.083480|4.426678|0.122334|4.932571|7.493132|0.183617|6.579284|7.590369|5.042990|4.490358|5.054745|7.639696|12.894973|36.858105| |2.226291|3.606382|0.078909|2.547331|2.925629|0.073793|3.781066|0.105542|3.912588|5.185948|0.133603|4.635694|5.271147|3.995725|3.831231|4.539115|6.785569|8.105885|15.499696|73.516695| |2.889240|4.936294|0.106366|3.364877|4.399708|0.107860|6.673313|0.175845|7.551994|12.585735|0.249807|7.644903|6.548221|4.441337|3.724860|3.855350|5.003369|7.527220|13.003137|14.420324|36.858105| |3.284782|5.784797|0.132335|3.811190|4.944473|0.113588|7.612054|0.191311|6.674010|7.578654|0.171440|5.182426|4.491214|3.386941|2.963343|3.093509|3.867464|5.063018|7.819774|12.193654|14.128211|36.858105| |4.439374|8.540218|0.206913|5.028577|7.589327|0.152904|12.485243|0.248822|7.603705|6.340648|0.148385|4.437983|3.636632|2.894140|2.518397|2.550899|3.015953|3.768176|4.924910|7.875135|7.536417|12.503776|36.858105| |4.487223|7.551427|0.183114|4.131530|6.541319|0.134625|7.357056|0.151573|5.935002|4.835120|0.111504|3.898465|3.203957|2.628618|2.299675|2.309036|2.671358|3.250064|4.027878|6.633334|5.443733|7.467141|12.204344|36.858105| |3.624193|5.754790|0.138899|3.383948|4.621142|0.102797|5.210562|0.118762|4.585277|4.165703|0.097372|3.543560|3.057185|2.526222|2.254126|2.301419|2.684134|3.201164|4.018663|6.952260|5.024822|6.885662|8.114723|15.622250|73.516695| |5.497756|8.392644|0.186558|4.234246|7.589878|0.155664|6.524764|0.134554|5.524346|4.154236|0.098511|3.517695|2.849863|2.414641|2.103797|2.070896|2.326504|2.780835|3.241449|5.291393|4.184637|5.014330|7.419618|13.432321|14.393844|36.858105| |6.886810|10.540672|0.195264|5.009299|12.415178|0.247731|7.566236|0.152540|6.379729|4.317922|0.105234|3.614497|2.854994|2.446822|2.106354|2.039647|2.257562|2.702994|3.055212|4.877040|3.964425|4.442224|6.450314|7.635717|9.314185|13.281651|36.858105| |6.207781|8.089042|0.143965|4.282268|8.181416|0.219517|5.473805|0.121328|5.229085|3.707672|0.092467|3.290042|2.621003|2.308647|1.989136|1.901813|2.064206|2.434343|2.658541|4.252266|3.309955|3.532827|4.621144|5.278627|7.236472|8.011118|15.831602|73.516695| |4.719046|6.262461|0.137255|3.392711|4.995499|0.115211|4.325525|0.097892|3.935190|3.198483|0.077781|2.878455|2.418578|2.108337|1.868195|1.840364|2.036729|2.366543|2.688415|4.502463|3.251670|3.758781|4.834029|7.514700|11.553720|12.804944|7.664844|11.616570|36.858105| |5.117758|6.083492|0.128170|3.326637|4.574809|0.110510|3.745865|0.087748|3.396223|2.774419|0.069265|2.520018|2.143345|1.901943|1.697066|1.665734|1.821117|2.086364|2.328063|3.916691|2.763222|3.125272|3.945420|5.328547|8.339501|8.096444|6.722894|11.696238|15.745562|73.516695| |3.566765|4.868444|0.108016|2.814796|3.859485|0.091768|3.642720|0.084746|3.463025|2.985619|0.072170|2.773131|2.383738|2.086155|1.866282|1.850994|2.051039|2.360048|2.677485|4.557801|3.133850|3.591047|4.243915|6.496874|12.196491|7.823647|5.210329|8.248897|14.041371|15.136505|53.358707| |4.760856|9.466556|0.269456|5.897901|6.423339|0.134775|8.036076|0.210819|5.120383|4.557646|0.117630|3.414491|2.974767|2.455290|2.202718|2.262541|2.649027|3.150922|4.021467|6.905175|5.341267|7.999949|13.409283|8.020730|11.575686|5.854965|5.234404|7.029955|4.286536|6.572012|5.120440|73.516695| |2.960223|5.019073|0.118188|3.383606|3.934379|0.092218|5.255376|0.140132|4.576558|5.084915|0.125325|3.971560|3.733071|2.945664|2.693085|2.900213|3.646420|4.417047|6.703197|13.137174|8.061215|14.484689|8.099123|6.169662|11.935160|4.251114|3.650707|5.308483|3.428871|5.130960|4.626298|13.094700|73.516695| |1.753911|2.741751|0.058143|1.984548|2.208641|0.058191|2.677782|0.076007|2.893449|3.728267|0.103452|3.862443|5.178330|4.608545|5.330359|8.224651|14.339129|7.898467|6.603366|13.013608|4.396001|3.659228|2.845123|2.529900|4.613419|2.183946|2.090974|3.385264|1.932861|3.081311|2.668312|4.590448|6.545396|73.516695| |1.885058|2.873918|0.057509|2.037174|2.501323|0.070354|2.885005|0.078446|3.682215|4.480986|0.122478|6.622315|7.811259|13.320982|7.726720|5.106240|4.496367|5.098642|3.849936|5.613992|3.697593|2.954761|2.659884|2.469359|4.160668|2.345767|2.430222|4.180976|2.069112|3.356261|2.765165|4.024729|4.550689|6.087989|53.358707| |1.759080|2.632639|0.052909|1.841813|2.270605|0.063477|2.549366|0.068040|3.182342|3.657863|0.096280|5.146690|5.651280|7.886419|6.062970|4.343020|3.820939|4.160073|3.305909|4.997586|3.175618|2.636443|2.406147|2.317421|3.964654|2.228386|2.277001|3.968731|2.013957|3.273265|2.735137|3.660914|4.142441|5.407497|17.870591|36.858105| |1.766679|2.674016|0.053052|1.934027|2.288326|0.065515|2.586035|0.071973|3.180056|3.722511|0.107829|4.811408|5.422188|7.850950|6.302654|4.408446|3.784980|4.048401|3.200943|4.821430|3.101248|2.557082|2.349617|2.163429|3.629663|2.080066|2.187373|3.804521|1.847900|3.044761|2.447006|3.650057|3.997668|5.360578|17.892446|7.882969|36.858105| |17.638389|12.366044|0.219966|7.374620|5.558300|0.142319|4.113742|0.109154|3.226056|2.664261|0.071957|2.264771|1.973919|1.756723|1.588387|1.575109|1.725116|1.953993|2.194135|3.719782|2.615364|2.982453|3.878946|3.862919|5.810432|4.433867|5.029271|8.196772|4.007607|7.758842|4.326649|7.835489|4.933055|2.955086|2.349243|1.613283|1.629362|0.500000| |17.669262|12.213923|0.224660|5.634714|6.864299|0.163722|4.649257|0.112724|3.726239|2.941926|0.076557|2.524540|2.144914|1.894797|1.690864|1.663743|1.824840|2.095933|2.357040|3.944252|2.863005|3.278469|4.439054|4.943308|7.094001|6.654774|7.878104|12.683080|6.113011|12.672760|5.860133|8.158718|5.287093|3.092752|2.550183|1.769727|1.738625|0.298800|0.500000| |17.655127|12.302725|0.180678|6.919262|7.017391|0.206215|4.545763|0.117044|3.715839|2.914042|0.078501|2.497741|2.119936|1.894759|1.685801|1.643086|1.782166|2.040885|2.247092|3.713326|2.713596|2.978846|3.870617|3.857141|5.612966|4.728059|6.349703|11.558899|4.139732|8.085093|4.356752|7.041950|4.720968|2.997064|2.582715|1.769733|1.794408|0.298327|0.300074|0.500000| |5.631670|12.312982|0.227156|17.704860|6.953641|0.177178|6.882047|0.246279|4.610149|3.937701|0.114352|3.018750|2.632618|2.266326|2.031656|2.036247|2.286811|2.654416|3.073500|5.095569|3.836232|4.371631|5.620744|4.215385|6.199397|4.037688|4.568529|6.816090|3.184751|5.385537|3.697313|12.120341|6.836377|3.893539|2.940399|1.927263|2.047861|0.148893|0.126212|0.141403|0.500000| |7.269683|12.364057|0.223017|17.640875|5.559184|0.145452|4.692294|0.141237|3.476796|2.973561|0.083895|2.429491|2.147772|1.894751|1.720669|1.722173|1.903917|2.158155|2.450316|4.157481|2.933105|3.342811|4.242913|3.657656|5.535108|3.734658|4.186148|6.537248|3.146885|5.596018|3.603951|9.289463|5.515089|3.276853|2.493921|1.672328|1.747728|0.231420|0.148149|0.173312|0.301203|0.500000| |6.997546|12.357436|0.181752|17.634466|6.965518|0.217661|5.438834|0.167477|4.132010|3.368645|0.096893|2.735273|2.355712|2.084626|1.859808|1.826848|1.998598|2.295864|2.546085|4.181707|3.099494|3.357197|4.234859|3.591829|5.284953|3.795521|4.702327|7.620431|3.110882|5.517307|3.528501|8.118599|5.249636|3.364414|2.791507|1.849367|1.971367|0.178891|0.141930|0.204851|0.298449|0.299586|0.500000| |3.725415|6.310009|0.116863|4.206858|7.100440|0.214598|8.811157|0.210441|17.545918|8.870377|0.223357|6.698855|4.519309|3.724831|2.972825|2.755885|3.029088|3.857857|4.076617|5.888692|5.536483|4.904187|5.523697|4.611639|6.569784|4.647738|5.804280|9.317852|3.507935|5.610209|4.170923|7.495051|6.525366|4.686351|5.125734|3.214343|3.359483|0.087546|0.099296|0.105705|0.123132|0.094503|0.119739|0.500000| |3.728671|6.184135|0.122776|3.765249|6.907742|0.170779|8.823645|0.174254|17.571728|8.869309|0.175376|7.165077|4.652167|3.687835|2.958426|2.791668|3.144033|4.089511|4.556132|6.569004|6.551042|6.073408|6.998583|6.659073|9.055627|6.524944|7.223343|10.582313|4.586221|6.800642|5.515868|8.325421|7.736438|4.898689|4.924164|3.267888|3.050444|0.087082|0.106048|0.100785|0.108406|0.087699|0.100869|0.303725|0.500000| |2.485399|3.928253|0.077627|2.717750|3.679542|0.103500|4.497525|0.117870|6.900210|8.818902|0.215645|17.634996|8.957780|7.274187|4.761495|3.982788|4.190354|5.637864|4.870455|6.592782|5.542640|4.177089|3.846522|3.443723|5.496700|3.264362|3.497096|5.869827|2.713064|4.312581|3.509844|5.440351|5.886224|5.887625|10.621095|5.701174|5.730298|0.061526|0.068359|0.069441|0.080608|0.065634|0.075870|0.199272|0.180920|0.500000| |2.532879|3.997654|0.081660|2.657871|3.729333|0.098477|4.651735|0.114371|6.923673|8.877128|0.174963|17.499032|8.937010|6.273002|4.465182|4.003681|4.491280|6.383847|5.950969|7.863709|6.882787|5.080797|4.436487|4.200157|6.901861|3.804274|3.779945|6.133606|3.150097|4.815241|4.218233|5.968910|7.041882|6.392866|7.888659|5.152831|4.176726|0.062608|0.071580|0.068953|0.078461|0.064914|0.071901|0.164217|0.216673|0.303515|0.500000| |1.576537|2.392350|0.048727|1.727067|1.989924|0.055015|2.291520|0.063906|2.685026|3.288344|0.092806|4.093271|5.661988|8.905210|17.711389|9.025782|5.670429|4.960039|3.582190|5.620242|3.090965|2.544756|2.219098|2.052904|3.578290|1.906822|1.919642|3.262187|1.714919|2.795371|2.332825|3.496243|4.156191|7.653053|9.683250|6.113320|6.635916|0.040945|0.043443|0.043543|0.051332|0.044076|0.047683|0.073569|0.072465|0.112921|0.103831|0.500000| |1.542242|2.360146|0.048963|1.714650|1.917933|0.051932|2.243754|0.063348|2.509449|3.123879|0.088283|3.542932|4.927965|5.596503|8.900738|17.746605|8.960982|5.633776|4.125534|6.999113|3.237204|2.704019|2.265444|2.070198|3.696473|1.867797|1.835339|3.057332|1.680386|2.722565|2.309023|3.643451|4.620016|13.481909|5.631658|3.701175|3.783133|0.040498|0.042473|0.041947|0.051615|0.044220|0.046501|0.066422|0.067130|0.090604|0.091109|0.215618|0.500000| |3.321704|4.737678|0.107332|2.785080|3.779313|0.088916|3.777181|0.087926|3.599506|3.194796|0.076274|2.954694|2.560188|2.211201|1.982525|1.985348|2.228734|2.577265|2.982423|5.125490|3.483354|4.076270|4.661158|7.452885|16.531806|7.386933|4.826014|7.361736|9.408686|10.958544|26.033387|7.202432|6.987965|3.805610|2.884448|2.090948|1.857829|0.083124|0.107465|0.082472|0.076304|0.072580|0.070564|0.086279|0.116743|0.074680|0.092530|0.050193|0.050411|0.500000| |3.259729|4.309893|0.094921|2.551172|3.303319|0.080478|3.090670|0.073878|2.939195|2.582637|0.063560|2.428290|2.127758|1.890463|1.710273|1.699316|1.866947|2.112988|2.367490|4.079917|2.703806|3.057763|3.525531|4.945699|9.420482|5.757384|4.276364|7.085573|9.555343|14.002582|26.038409|5.790306|5.267463|3.196653|2.515927|1.841186|1.651047|0.082665|0.109090|0.081877|0.067989|0.067846|0.065693|0.073817|0.093225|0.063355|0.074602|0.043964|0.043620|0.310442|0.500000| |4.059701|7.268583|0.197809|4.669502|4.963418|0.109390|5.955167|0.157103|4.325120|4.068086|0.104396|3.173233|2.844965|2.359157|2.147416|2.236036|2.637244|3.086394|3.997748|7.196106|5.025808|7.703248|9.843712|7.486075|12.665082|5.253851|4.431690|6.164330|4.115658|6.259737|5.157935|35.534394|15.488907|4.663557|2.934171|1.980885|1.948959|0.107555|0.112176|0.094787|0.145402|0.121662|0.104447|0.099927|0.113944|0.078297|0.087940|0.053280|0.056652|0.116610|0.092052|0.500000| |2.587376|4.278565|0.097828|2.955529|3.370706|0.081566|4.401260|0.120383|4.104639|4.861440|0.122051|3.982823|3.968333|3.118120|2.908898|3.227104|4.209269|5.009423|8.101103|19.307293|7.882543|10.192176|5.957899|4.856832|9.479232|3.582774|3.154377|4.723294|2.990403|4.541714|4.108706|9.662659|35.219578|7.827668|3.594460|2.399726|2.310225|0.067811|0.072045|0.065587|0.092948|0.075849|0.073224|0.093685|0.108575|0.091236|0.109442|0.069442|0.080324|0.096421|0.074222|0.170460|0.500000| |1.859590|2.931455|0.062872|2.112418|2.350168|0.061103|2.887389|0.081836|3.057750|3.943263|0.107662|3.902110|4.953313|4.161191|4.468202|6.096560|10.139197|7.781169|7.974028|18.997653|4.984624|4.222179|3.160610|2.781556|5.135033|2.350193|2.219954|3.549923|2.066390|3.269591|2.859575|5.112029|7.825712|35.410365|4.327422|2.841178|2.784670|0.048997|0.051308|0.049222|0.065155|0.054535|0.055331|0.075881|0.080786|0.091183|0.102069|0.101798|0.153431|0.064340|0.053304|0.082207|0.153756|0.500000| |1.605626|2.390488|0.048273|1.684302|2.024895|0.056419|2.261326|0.060927|2.733465|3.138124|0.083907|4.158315|4.812161|6.799555|6.294633|4.483192|3.739355|3.821958|3.030474|4.707407|2.831395|2.386547|2.166321|2.089604|3.620374|2.000629|2.026206|3.527062|1.828572|2.986622|2.501671|3.351782|3.831642|5.374868|12.161519|17.437679|6.915368|0.041245|0.044847|0.044754|0.048989|0.042848|0.046870|0.076140|0.077404|0.122450|0.115171|0.197151|0.109851|0.053217|0.047178|0.050794|0.062233|0.077115|0.500000| |1.745820|2.583502|0.051481|1.805044|2.230953|0.063167|2.447199|0.065087|3.044709|3.340359|0.088432|4.498063|4.532164|5.715307|4.599808|3.510099|3.169089|3.461164|2.883699|4.411218|2.859355|2.429156|2.277182|2.215193|3.757358|2.175202|2.254342|4.001059|1.982266|3.254196|2.674184|3.484088|3.815141|4.635911|12.464191|17.564463|7.220137|0.044380|0.048822|0.049229|0.051962|0.045540|0.050792|0.087562|0.087506|0.145018|0.126205|0.131449|0.085581|0.056111|0.050216|0.052111|0.060630|0.068553|0.300392|0.500000| |1.827211|2.736196|0.055389|1.886586|2.373856|0.065440|2.678095|0.070215|3.369962|3.867264|0.097714|5.592431|5.940081|7.284059|5.566532|4.271923|3.940823|4.413628|3.560687|5.360240|3.425264|2.841689|2.574784|2.524484|4.357302|2.413008|2.424738|4.199971|2.185642|3.511396|3.005168|3.863506|4.454356|5.595208|12.444928|17.597379|5.692551|0.046384|0.051528|0.050715|0.054737|0.047570|0.052178|0.092028|0.099055|0.161552|0.170186|0.145809|0.100408|0.064287|0.055889|0.058361|0.071688|0.082841|0.300500|0.301462|0.500000| 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