Version2.1 2021-01-14T03:12:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1O[C@H](CC[NH+]2CCN(CC2)c3ccc(cc3)F)c4ccc(cc4)F)F C35913499 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1O[C@H](CC[NH+]2CCN(CC2)c3ccc(cc3)F)c4ccc(cc4)F)F C01[X(C26H28F3N2O1)] 174 C1 536 Fc1ccc(cc1)[C@H](Oc1ccc(cc1C)F)CC[NH+]1CCN(CC1)c1ccc(cc1)F Fc1ccc(cc1)[C@H](Oc1ccc(cc1C)F)CC[NH+]1CCN(CC1)c1ccc(cc1)F Cc1cc(F)ccc1O[C@H](CC[NH+]2CCN(CC2)c3ccc(F)cc3)c4ccc(F)cc4 InChIKey=KGJPBGLJMGHKEN-AREMUKBSSA-O InChI=1S/C26H27F3N2O/c1-19-18-23(29)8-11-25(19)32-26(20-2-4-21(27)5-3-20)12-13-30-14-16-31(17-15-30)24-9-6-22(28)7-10-24/h2-11,18,26H,12-17H2,1H3/p+1/t26-/m1/s1 InChI=1/C26H27F3N2O/c1-19-18-23(29)8-11-25(19)32-26(20-2-4-21(27)5-3-20)12-13-30-14-16-31(17-15-30)24-9-6-22(28)7-10-24/h2-11,18,26H,12-17H2,1H3/p+1/t26-/m1/s1/fC26H28F3N2O/h30H/q+1 Cc1cc(ccc1O[C@H](CC[NH+]2CCN(CC2)c3ccc(cc3)F)c4ccc(cc4)F)F C01[X(C26H28F3N2O1)] 174 C01 536 Fc1ccc(cc1)[C@H](Oc1ccc(cc1C)F)CC[NH+]1CCN(CC1)c1ccc(cc1)F F[C]1[CH][CH][C]([CH][CH]1)[C@H](O[C]1[CH][CH][C]([CH][C]1C)F)CC[NH]1CC[N@](CC1)[C]1[CH][CH][C]([CH][CH]1)F C[C]1[CH][C](F)[CH][CH][C]1O[C@H](CC[NH]2CCN(CC2)[C]3[CH][CH][C](F)[CH][CH]3)[C]4[CH][CH][C](F)[CH][CH]4 InChIKey=JPAQUMPTSBVINQ-AREMUKBSSA-N InChI=1S/C26H28F3N2O/c1-19-18-23(29)8-11-25(19)32-26(20-2-4-21(27)5-3-20)12-13-30-14-16-31(17-15-30)24-9-6-22(28)7-10-24/h2-11,18,26,30H,12-17H2,1H3/t26-/m1/s1 InChI=1/C26H28F3N2O/c1-19-18-23(29)8-11-25(19)32-26(20-2-4-21(27)5-3-20)12-13-30-14-16-31(17-15-30)24-9-6-22(28)7-10-24/h2-11,18,26,30H,12-17H2,1H3/t26-/m1/s1 3011.2188963896 -1482.730402 1-A 25679.0028 116 420 536 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.39338 -26.38829 -26.37489 -20.69723 -15.85306 -15.69802 -11.44108 -11.44090 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7.3875 7.4275 7.4510 7.4900 7.4991 7.5051 7.5149 7.5539 8.6043 2.7712 0.7973 1.2677 0.9644 0.4237 0.3715 0.1953 0.6306 1.4383 1.2838 2.0609 0.3629 1.3255 0.0473 3.1586 0.4376 0.3682 2.7932 0.6063 3.2684 0.8405 0.8440 10.8692 3.4407 0.9815 1.2697 2.0981 0.5533 9.3860 3.9499 0.2581 0.4364 0.5797 0.0456 0.1231 2.0593 0.7384 0.5229 1.3974 6.8247 0.3589 6.9161 17.7949 21.6296 5.9866 0.6270 18.2517 1.6168 0.6412 1.4519 24.6518 6.0357 6.5632 11.0447 6.6509 9.4595 13.0826 2.5897 4.8186 3.2587 13.6219 11.0432 56.3118 2.1026 6.2005 90.8355 36.7479 30.2982 19.7857 36.3646 8.5797 78.9693 4.0301 5.6339 0.8484 2.9794 0.8663 18.6116 0.0467 4.6230 3.4616 7.9428 11.2937 1.2207 1.3781 1.0671 13.0750 7.8699 7.8023 51.0787 19.9688 4.4766 48.3990 0.7920 7.9585 5.4019 19.9065 5.4269 14.8890 28.5727 5.2442 16.0903 23.5775 371.3309 120.5089 147.7903 82.3357 41.9122 33.7497 24.5504 1.6321 8.0892 0.3256 13.0620 11.6639 3.1922 11.5918 5.4671 55.7746 13.8246 9.4607 0.7061 4.2018 8.0647 133.8279 12.6965 35.7373 50.7807 18.2757 3.0369 5.7531 1.2109 3.7858 25.6802 0.6122 7.1947 10.5352 315.2688 268.4948 77.8777 2.1110 6.6057 16.3787 30.3336 71.5637 10.0248 11.9550 63.1594 51.2097 12.1116 19.3979 32.8394 1.6792 8.4358 6.0244 8.9908 24.3195 9.1650 3.0649 2.5174 12.6939 4.6855 5.5761 13.9130 4.8324 5.6358 4.2550 5.2645 1.8218 1.1172 1.7804 1.1608 5.2000 28.0651 1.1131 2.7027 3.6199 2.0624 4.6252 2.6389 7.0117 1.3838 1.3073 0.4619 0.3733 1.5444 0.7980 0.2738 0.7611 0.4555 0.0794 1.8038 0.6773 0.6980 1.1850 1.2478 0.5679 0.6228 0.7405 4.3947 1.0504 2.5417 0.2081 2.3454 5.0908 0.4740 2.2878 0.4559 0.9227 0.2228 0.5677 2.3562 1.1310 3.2376 2.6409 1.4466 2.8061 0.0754 1.2270 0.1797 2.4099 1.7612 7.0567 7.0517 6.3636 1.0582 4.9545 5.4276 1.1903 7.9512 18.6343 1.4935 6.5835 8.2404 24.2406 11.0133 11.6670 2.3363 2.2376 2.0096 0.7381 1.7170 3.5780 2.7116 9.2837 3.1597 0.8010 4.1246 1.8755 2.1168 0.1363 1.8736 0.2194 0.2802 0.0586 8.9306 20.2942 0.9307 2.6181 0.9598 1.8937 1.6900 1.1028 15.1958 4.1380 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0.00209 0.00181 0.20570 0.04357 0.03770 16.44 23.35 27.08 33.90 49.52 55.91 62.75 71.50 87.06 155.16 158.56 173.62 204.73 218.58 242.93 267.89 293.72 328.50 334.66 349.29 383.82 388.72 413.96 467.89 472.38 540.08 554.42 612.78 616.89 635.87 669.83 670.46 674.87 683.12 686.67 716.20 721.09 736.79 754.10 777.21 794.96 847.10 863.52 889.39 906.39 924.38 937.47 961.92 1006.21 1007.22 1124.75 1129.95 1141.77 1150.04 1153.74 1168.37 1225.67 1244.51 1291.67 1310.23 1317.38 1336.34 1339.26 1342.63 1350.62 1372.91 1377.22 1436.31 1449.50 1462.11 1509.37 1516.28 1523.84 1535.61 1548.58 1551.18 1581.17 1581.39 1586.44 1598.76 1600.08 1619.36 1626.81 1653.44 1658.18 1684.52 1686.81 1706.24 1710.51 1713.37 1742.32 1778.14 1782.19 1805.09 1828.77 1840.71 1844.80 1860.33 1875.06 1884.12 1902.51 1919.50 1924.59 1954.60 1972.58 2015.39 2021.06 2028.13 2032.12 2054.47 2064.14 2070.18 2071.30 2086.21 2121.42 2135.96 2149.69 2173.07 2188.99 2212.80 2220.04 2252.86 2253.82 2259.75 2275.00 2278.91 2282.14 2286.54 2299.35 2338.47 2343.43 2348.43 2355.94 2361.89 2364.73 2379.44 2391.12 2422.06 2444.06 2445.69 2573.88 2577.60 2599.51 2617.74 2620.63 2630.01 4508.82 4518.13 4609.01 4615.93 4636.88 4687.66 4710.77 4720.10 4722.71 4735.32 4747.75 4751.91 4754.79 4808.57 4821.16 4826.95 4827.48 4843.79 4876.17 4876.46 4885.38 4896.58 4901.53 4903.80 4904.13 4907.13 4923.97 5295.85 0.535460 0.562151 0.563095 0.472636 -1482.194942 -1482.168251 -1482.167307 -1482.257766 3.034010D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1cc(ccc1O[C@H](CC[NH+]2CCN(CC2)c3ccc(cc3)F)c4ccc(cc4)F)F C35913499 RHF 6-31G(d) (6D,10F) C1 441.215373 |X|Y|Z| 144.136184 63.811761 28.840502 64.252819 28 6 7 8 25 2 1 |36.858105| |12.623190|36.858105| |7.569984|13.778408|36.858105| |5.031133|7.947597|13.786305|36.858105| |4.424472|6.812122|7.929817|13.904863|36.858105| |5.011884|7.879706|6.892461|8.019570|13.704798|36.858105| |7.536345|13.627660|7.979319|6.947319|7.934970|13.797154|36.858105| |6.921536|8.147519|5.282826|4.631671|5.169819|7.834572|13.872258|73.516695| |4.596635|5.217191|3.965389|3.782609|4.463051|6.613644|7.865791|24.164015|36.858105| |4.092048|4.838786|3.875581|3.863106|4.749183|7.078998|7.241598|16.583413|17.530253|0.500000| |4.088811|4.127476|3.226135|3.001838|3.338367|4.391372|5.236029|14.500949|12.403108|0.246607|36.858105| |4.177428|4.057685|3.201662|2.927570|3.157386|3.981545|4.798962|11.956993|7.537941|0.194586|12.484771|36.858105| |3.538802|3.259170|2.668348|2.429229|2.549514|3.054937|3.591028|8.247910|4.924859|0.126621|7.538399|12.655803|53.358707| |3.726769|3.306796|2.681066|2.405263|2.494878|2.979658|3.572181|8.312355|4.768669|0.116551|7.215881|9.338020|25.683419|0.500000| |2.806080|2.669127|2.258960|2.112872|2.245457|2.651665|2.968505|6.556199|4.173766|0.110625|6.151614|7.563033|17.253990|0.259030|36.858105| |2.461471|2.296000|1.982149|1.847926|1.929607|2.218040|2.467879|5.249494|3.186358|0.084346|4.260274|4.946178|10.434562|0.198131|12.521858|36.858105| |2.414733|2.233020|1.948704|1.808462|1.864400|2.110467|2.348514|4.867909|2.854366|0.077055|3.620300|4.467262|9.063160|0.166200|7.844522|13.172936|53.358707| |2.804446|2.517039|2.171241|1.975739|2.007811|2.273248|2.592551|5.386784|3.029209|0.080905|3.806211|4.972966|10.424585|0.198125|6.637530|7.961205|17.926290|36.858105| |3.372958|3.049887|2.563048|2.317544|2.375738|2.750673|3.201139|6.838714|3.828455|0.102975|4.951049|7.667630|17.244458|0.259214|7.712968|6.648794|10.693302|12.528869|36.858105| |2.080376|1.927210|1.712843|1.598018|1.636604|1.821605|2.000948|4.049091|2.353911|0.063769|2.862080|3.342372|6.065457|0.118172|5.099206|7.828767|18.036133|7.827805|5.102947|36.858105| |1.873205|1.763345|1.589015|1.498511|1.537753|1.695049|1.832499|3.643639|2.128317|0.058704|2.518580|2.918252|4.961064|0.094326|4.167808|5.532632|10.687261|5.534835|4.171548|13.738641|36.858105| |1.668380|1.572477|1.432540|1.355387|1.384677|1.510492|1.621810|3.183741|1.848285|0.050925|2.141078|2.414224|3.956317|0.077148|3.242175|4.112328|6.996236|4.113331|3.244149|7.913654|13.761582|36.858105| |1.626259|1.519067|1.384423|1.304082|1.325537|1.442788|1.555840|3.053826|1.759213|0.047936|2.033193|2.254216|3.696088|0.074216|2.977756|3.819982|6.190233|3.820002|2.978815|6.923241|8.017054|13.818581|36.858105| |1.751666|1.615913|1.460612|1.365018|1.384058|1.514565|1.650496|3.270944|1.874427|0.050420|2.193444|2.423285|4.070178|0.083871|3.249562|4.346550|6.937304|4.345359|3.250141|7.909412|6.864771|7.894090|13.808158|36.858105| |1.992458|1.824697|1.627219|1.511375|1.536805|1.700642|1.873751|3.774788|2.168026|0.057933|2.604136|2.933782|5.188763|0.107375|4.182577|6.140095|10.477720|6.136578|4.183413|13.707270|7.945151|6.864416|8.016303|13.769617|36.858105| |1.468696|1.377459|1.266435|1.197603|1.214426|1.311659|1.405205|2.730411|1.568469|0.042821|1.783699|1.949299|3.111067|0.062796|2.474441|3.036561|4.705257|3.036580|2.475122|4.676438|5.319809|8.184590|14.409851|8.187624|5.321450|97.533100| |3.802336|4.317377|3.506579|3.470229|4.157148|5.811065|6.025987|13.869733|12.544982|0.247391|7.589958|4.926503|5.153335|0.105502|3.473199|2.781073|3.345345|2.541557|3.025481|2.087390|1.900526|1.678374|1.612961|1.717724|1.957674|3.269431|36.858105| |3.017928|3.423633|2.955224|3.043845|3.703697|4.821633|4.510270|9.224789|7.561426|0.200868|5.700649|4.087978|4.465359|0.089209|3.191141|2.584145|3.105015|2.297393|2.680286|1.963806|1.817050|1.614067|1.543285|1.625878|1.833689|3.144960|13.716180|36.858105| |2.607105|2.907434|2.593584|2.691466|3.198858|3.875445|3.608285|7.024948|5.011941|0.132132|4.196867|3.203717|3.709401|0.075371|2.704578|2.277677|2.743370|2.013537|2.280092|1.771597|1.647568|1.483078|1.429114|1.504235|1.676405|2.937673|7.890924|13.760953|36.858105| |2.647798|2.904362|2.594993|2.651539|3.061762|3.627739|3.492997|6.747175|4.455562|0.111378|3.813578|2.939841|3.485300|0.072627|2.504775|2.157935|2.605613|1.930460|2.157978|1.696455|1.566891|1.419890|1.382465|1.465739|1.628628|2.851766|6.907886|8.024807|13.822016|36.858105| |3.118480|3.378606|2.936002|2.911935|3.293817|3.979212|4.048719|7.996799|5.005392|0.116897|4.218934|3.190835|3.765516|0.080244|2.622496|2.260185|2.733143|2.061029|2.316370|1.768842|1.614876|1.459387|1.428494|1.528238|1.708900|2.937323|7.903318|6.878500|7.898924|13.811683|36.858105| |3.894092|4.264497|3.486420|3.367790|3.847075|5.015489|5.455871|11.796630|7.526095|0.156816|5.753650|4.060544|4.563637|0.097561|3.060122|2.559469|3.090808|2.368355|2.739270|1.960430|1.774064|1.584137|1.542787|1.656406|1.876512|3.145083|13.709579|7.958880|6.862824|8.012170|13.770539|36.858105| |2.277877|2.465309|2.261246|2.321921|2.626558|2.973506|2.852131|5.367153|3.402661|0.087457|3.038645|2.451945|2.990915|0.062413|2.177070|1.922226|2.336796|1.720855|1.889046|1.544943|1.436204|1.314676|1.285910|1.359478|1.494706|2.672447|4.668199|5.321076|8.183993|14.398157|8.180764|5.317590|97.533100| |3.929792|5.296036|8.171398|14.357818|8.172510|5.306545|4.681970|6.226481|3.003507|0.085636|2.485031|2.447411|2.846280|0.057512|1.849625|1.644375|2.206189|1.760307|2.025655|1.451247|1.371900|1.251648|1.206385|1.256695|1.378430|2.509381|2.829022|2.568772|2.338046|2.314879|2.495529|2.777907|4.680973|97.533100| |17.532285|8.836774|5.926490|4.323167|3.960763|4.565288|6.634774|12.153944|4.687103|0.117642|4.428599|4.908484|5.657859|0.120687|3.151451|2.746151|3.724937|3.275270|4.080914|2.319396|2.073564|1.826486|1.770815|1.911058|2.198796|3.568126|3.675798|2.951563|2.516239|2.506602|2.893911|3.612144|4.854095|7.808584|0.500000| |17.566227|8.841660|5.854323|4.296744|3.965654|4.609321|6.750068|12.536395|4.754077|0.111704|4.324867|4.175490|4.919166|0.109582|2.884899|2.540149|3.323344|2.811950|3.319538|2.105228|1.876047|1.673580|1.644212|1.787248|2.039194|3.339165|4.089150|3.161129|2.757309|2.868220|3.493023|4.429614|5.522061|7.744222|0.302319|0.500000| |17.602932|8.879583|7.303478|4.777988|3.971333|4.176049|5.571912|8.868239|3.651866|0.092964|3.326212|3.432611|4.132062|0.088650|2.467561|2.220162|3.005444|2.561913|2.986493|1.937470|1.756325|1.580626|1.548568|1.664436|1.872565|3.168742|3.157302|2.598538|2.300958|2.353439|2.735775|3.272572|4.652562|8.894577|0.301994|0.301513|0.500000| |6.969080|8.895306|17.736994|8.980755|5.666807|4.964142|5.648448|7.564710|3.310345|0.089456|2.824144|2.849490|3.341939|0.069022|2.087565|1.865520|2.521496|2.075170|2.407045|1.645272|1.528575|1.386932|1.346510|1.421115|1.574293|2.782497|2.972742|2.548862|2.281460|2.304725|2.597437|3.007693|4.601169|16.807986|0.153257|0.150332|0.222784|0.500000| |3.541750|4.922986|5.651000|8.975119|17.749921|8.858497|5.637352|7.403789|3.858743|0.116564|2.967808|2.801397|3.132817|0.062243|2.072874|1.792959|2.357428|1.841885|2.152065|1.532808|1.452182|1.314147|1.256145|1.304337|1.438971|2.600513|3.746334|3.535794|3.136185|2.963589|3.077549|3.448973|5.825681|16.650610|0.090208|0.090346|0.090499|0.124875|0.500000| |4.080263|5.611585|4.967417|5.704761|8.974828|17.778787|8.890039|12.475349|7.313713|0.238590|4.634264|4.022365|4.169941|0.082058|2.733951|2.258725|2.886995|2.241582|2.702670|1.828468|1.708220|1.520062|1.446593|1.513546|1.698915|2.957980|6.907640|6.126327|4.667523|4.122000|4.315794|5.383818|7.421506|9.634563|0.107049|0.108515|0.095924|0.107809|0.215374|0.500000| |3.326991|3.407716|2.787805|2.666690|2.996827|3.829173|4.237479|10.354889|8.904344|0.212350|17.596317|8.781431|8.961765|0.169249|6.548437|4.410584|4.901507|3.575624|4.428955|2.871992|2.554436|2.171709|2.051136|2.197023|2.595320|4.051086|7.129450|6.206783|4.553500|3.960383|4.142370|5.275105|7.122311|5.073159|0.098378|0.097160|0.077834|0.068527|0.076161|0.116721|0.500000| |4.238889|4.047041|3.144103|2.862869|3.099321|3.967059|4.864600|13.292213|8.926558|0.174855|17.532506|8.828848|9.634111|0.222288|5.733090|4.270953|4.858647|3.802733|4.702738|2.859816|2.469085|2.117987|2.046295|2.244647|2.674748|4.043480|6.954922|5.063371|3.999729|3.863338|4.499065|6.200697|6.973591|5.371471|0.125476|0.131994|0.095823|0.077644|0.076318|0.112690|0.301989|0.500000| |5.261213|4.930130|3.732810|3.289151|3.456922|4.354535|5.625055|14.000027|7.128752|0.182183|8.874252|17.665408|12.439692|0.222102|5.588145|4.171122|5.448687|4.755056|7.385826|3.091079|2.712845|2.277099|2.144028|2.307693|2.764320|4.202770|4.622702|3.734871|2.977679|2.793206|3.094140|3.969276|5.272790|6.087023|0.185203|0.140473|0.115959|0.091928|0.083065|0.115933|0.173668|0.206880|0.500000| |3.634208|3.689722|3.026676|2.850572|3.122947|3.881496|4.390970|9.957199|6.571842|0.198252|8.750273|17.610460|12.415053|0.182181|7.053661|4.646870|5.906268|4.617515|6.954114|3.278901|2.962867|2.438119|2.232077|2.348643|2.806906|4.351880|4.485909|3.981096|3.111371|2.778715|2.918843|3.601357|5.263961|5.419034|0.116556|0.098070|0.085189|0.074794|0.078353|0.111599|0.214392|0.172868|0.301308|0.500000| |2.641588|2.574977|2.210051|2.096976|2.247395|2.639601|2.885762|6.207803|4.011534|0.112100|5.524859|7.021762|12.428627|0.182075|17.629588|8.835437|9.615106|5.833773|7.022256|4.813876|4.246388|3.269033|2.902854|3.050353|3.798966|5.460249|3.320272|3.146201|2.650926|2.405523|2.469867|2.857589|4.721305|4.148110|0.082233|0.073923|0.064897|0.056576|0.058136|0.076378|0.168390|0.133690|0.145453|0.216428|0.500000| |2.768260|2.666815|2.250814|2.120506|2.279399|2.720508|3.022948|6.785832|4.527894|0.116748|7.002257|6.991324|12.331153|0.225078|17.655708|8.818861|7.691499|4.970904|5.618370|4.172762|3.508059|2.854684|2.677945|2.927094|3.643562|5.112567|3.914361|3.621218|3.063647|2.824241|2.942759|3.428340|5.471469|4.164261|0.084299|0.080533|0.067261|0.057405|0.058623|0.079133|0.232736|0.185559|0.142704|0.175308|0.299720|0.500000| |2.185184|2.072122|1.813446|1.711873|1.797227|2.050467|2.236891|4.679742|2.884748|0.077420|3.732007|4.115914|7.615386|0.144795|8.987417|17.618811|12.502810|5.727978|4.971145|7.330846|5.738737|4.341665|3.973084|4.373359|5.810562|7.126393|2.590320|2.472686|2.211390|2.083019|2.144535|2.381544|4.218746|3.453613|0.066642|0.062545|0.055172|0.047443|0.046862|0.058579|0.111659|0.102672|0.097037|0.111805|0.216260|0.212588|0.500000| |2.501088|2.293813|1.972980|1.824882|1.892690|2.172561|2.441342|5.217375|3.114967|0.080355|4.149678|4.559379|9.308113|0.207291|8.859563|17.417824|12.200712|7.052215|5.767762|6.705184|4.685332|3.736926|3.687392|4.431555|6.322873|6.692605|2.772996|2.540629|2.267559|2.189874|2.325034|2.622366|4.403584|3.654345|0.076894|0.073038|0.062826|0.051818|0.048687|0.061062|0.117018|0.122614|0.110213|0.113412|0.173413|0.216148|0.302320|0.500000| |2.635937|2.371301|2.081563|1.897103|1.910019|2.127384|2.402874|4.850742|2.689431|0.072954|3.230083|4.143230|7.609749|0.144801|4.964837|5.727816|12.499792|17.618970|8.986424|7.327813|5.742304|4.343155|3.972466|4.370328|5.803838|7.125512|2.275699|2.075525|1.833214|1.759469|1.870125|2.129256|3.556472|3.841770|0.085447|0.072213|0.068137|0.055832|0.048865|0.057918|0.084451|0.088759|0.114324|0.110911|0.130772|0.109148|0.128003|0.143461|0.500000| |2.893066|2.530907|2.173328|1.956585|1.971447|2.227885|2.570364|5.361268|2.958719|0.077179|3.703291|4.581688|9.300401|0.207277|5.760950|7.051912|12.199278|17.418695|8.858071|6.704467|4.686755|3.737729|3.687400|4.430172|6.318666|6.692636|2.521857|2.251640|1.992414|1.940261|2.097733|2.406124|3.901940|3.923309|0.093354|0.082177|0.073803|0.058094|0.050040|0.060595|0.095323|0.107640|0.124972|0.112821|0.133463|0.129602|0.143469|0.207540|0.302267|0.500000| |3.953400|3.438715|2.853002|2.517361|2.531341|2.916413|3.490259|7.368954|3.871183|0.103043|4.742570|7.166271|12.363745|0.225788|5.623775|4.973877|7.685804|8.792737|17.626023|4.167688|3.505781|2.852515|2.675040|2.922852|3.637407|5.107503|3.022976|2.624559|2.235084|2.139362|2.329310|2.779388|4.209561|4.921209|0.139715|0.105839|0.096996|0.074938|0.062840|0.077655|0.112647|0.127841|0.230541|0.172624|0.143608|0.126651|0.109203|0.129642|0.211757|0.215455|0.500000| |3.106085|2.917144|2.496956|2.299652|2.379643|2.737999|3.100746|6.447519|3.696383|0.104006|4.593338|7.100752|12.416176|0.182077|7.018506|5.841802|9.629749|8.840734|17.633955|4.818542|4.251652|3.271906|2.904520|3.051534|3.800552|5.462817|2.916847|2.646872|2.242307|2.089209|2.205328|2.586957|4.124970|4.546044|0.102899|0.083229|0.076943|0.064866|0.060425|0.075458|0.118076|0.115110|0.184771|0.212452|0.210941|0.143401|0.130925|0.133580|0.216366|0.173433|0.299811|0.500000| |1.889900|1.799973|1.625099|1.541781|1.590600|1.754620|1.883824|3.733539|2.198222|0.061501|2.589012|3.043026|5.064983|0.093166|4.289828|5.268160|9.913867|5.271732|4.295029|8.949936|17.734546|8.917064|5.678441|4.949113|5.656409|9.614377|1.947451|1.874708|1.688569|1.590032|1.628894|1.794823|3.269052|3.173887|0.058238|0.052148|0.049048|0.043239|0.041832|0.049322|0.073360|0.069089|0.078010|0.088330|0.128823|0.099055|0.152628|0.118821|0.152819|0.118878|0.099047|0.129044|0.500000| |1.555666|1.478763|1.357721|1.292570|1.321593|1.433048|1.525437|2.966589|1.724685|0.047898|1.969504|2.207208|3.519292|0.068203|2.865124|3.460071|5.666225|3.461169|2.866924|5.621760|8.855079|17.748359|8.961776|5.641956|4.950263|16.731623|1.573362|1.525035|1.406354|1.342658|1.371979|1.482010|2.808196|2.699375|0.047085|0.043148|0.041082|0.036549|0.035014|0.040132|0.055673|0.053728|0.058031|0.062655|0.081891|0.070998|0.102206|0.087264|0.102261|0.087289|0.070961|0.081965|0.212745|0.500000| |1.679405|1.543765|1.400445|1.307306|1.320586|1.439110|1.567990|3.093333|1.762386|0.047162|2.042413|2.219267|3.662473|0.076808|2.873872|3.710599|5.610695|3.709342|2.873970|5.618585|4.950446|5.642475|8.958778|17.748199|8.857210|16.745718|1.631444|1.542599|1.438435|1.412786|1.476774|1.590129|2.964600|2.716924|0.050512|0.047842|0.044590|0.038005|0.034592|0.039858|0.056651|0.058651|0.059193|0.059281|0.074363|0.073574|0.103143|0.109010|0.103063|0.108965|0.073464|0.074380|0.107504|0.124613|0.500000| |2.121503|1.917397|1.696992|1.564340|1.586002|1.762258|1.961614|3.986552|2.272105|0.059811|2.753212|3.063574|5.495737|0.119193|4.297253|6.263309|9.546003|6.257040|4.296826|8.875796|5.640440|4.946896|5.689025|8.969059|17.708239|9.640550|2.056513|1.903696|1.741871|1.707672|1.810296|1.993783|3.518711|3.197664|0.064989|0.061028|0.055282|0.045639|0.041048|0.048716|0.075410|0.080403|0.080632|0.079272|0.103792|0.105991|0.154974|0.204132|0.154720|0.203826|0.105777|0.103806|0.124156|0.107469|0.214431|0.500000| |2.837631|3.227998|2.824273|2.944181|3.611084|4.634473|4.223595|8.478027|7.008776|0.218617|5.536528|4.198215|4.531788|0.087814|3.299599|2.635046|3.184556|2.332450|2.742888|2.007127|1.876594|1.659571|1.570924|1.640658|1.849396|3.196439|8.890388|17.687682|8.966861|5.692060|4.952681|5.646155|9.637789|5.637910|0.078643|0.080584|0.068296|0.067848|0.097472|0.167590|0.175290|0.128486|0.104422|0.119780|0.093355|0.102842|0.070606|0.070460|0.058758|0.062454|0.073716|0.076948|0.054376|0.043747|0.042963|0.052776|0.500000| 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