Version2.3 2021-04-01T14:09:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1C(=C([C@@H](NC1=O)c2ccc(cc2Cl)Cl)C(=O)OCC)CN(C)C3CC[NH+](CC3)C C35991218 RHF 6-31G(d) (6D,7F) CCN1C(=C([C@@H](NC1=O)c2ccc(cc2Cl)Cl)C(=O)OCC)CN(C)C3CC[NH+](CC3)C C01[X(C23H33Cl2N4O3)] 189 C1 554 CCOC(=O)C1=C(CN(C2CC[NH+](CC2)C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1Cl)Cl CCOC(=O)C1=C(CN(C2CC[NH+](CC2)C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1Cl)Cl CCOC(=O)C1=C(CN(C)C2CC[NH+](C)CC2)N(CC)C(=O)N[C@H]1c3ccc(Cl)cc3Cl InChIKey=ASJOBZVHFAFMTK-NRFANRHFSA-O InChI=1S/C23H32Cl2N4O3/c1-5-29-19(14-28(4)16-9-11-27(3)12-10-16)20(22(30)32-6-2)21(26-23(29)31)17-8-7-15(24)13-18(17)25/h7-8,13,16,21H,5-6,9-12,14H2,1-4H3,(H,26,31)/p+1/t21-/m0/s1 InChI=1/C23H32Cl2N4O3/c1-5-29-19(14-28(4)16-9-11-27(3)12-10-16)20(22(30)32-6-2)21(26-23(29)31)17-8-7-15(24)13-18(17)25/h7-8,13,16,21H,5-6,9-12,14H2,1-4H3,(H,26,31)/p+1/t21-/m0/s1/fC23H33Cl2N4O3/h26-27H/q+1 CCN1C(=C([C@@H](NC1=O)c2ccc(cc2Cl)Cl)C(=O)OCC)CN(C)C3CC[NH+](CC3)C C01[X(C23H33Cl2N4O3)] 189 C01 554 CCOC(=O)C1=C(CN(C2CC[NH+](CC2)C)C)N(CC)C(=O)N[C@H]1c1ccc(cc1Cl)Cl CCOC(=O)C1=C(CN(C2CC[NH](CC2)C)C)N(CC)C(=O)N[C@H]1[C]1[CH][CH][C]([CH][C]1Cl)Cl CCOC(=O)C1=C(CN(C)C2CC[NH](C)CC2)N(CC)C(=O)N[C@H]1[C]3[CH][CH][C](Cl)[CH][C]3Cl InChIKey=FGAFAFKLBMLATM-NRFANRHFSA-N InChI=1S/C23H33Cl2N4O3/c1-5-29-19(14-28(4)16-9-11-27(3)12-10-16)20(22(30)32-6-2)21(26-23(29)31)17-8-7-15(24)13-18(17)25/h7-8,13,16,21,27H,5-6,9-12,14H2,1-4H3,(H,26,31)/t21-/m0/s1 InChI=1/C23H33Cl2N4O3/c1-5-29-19(14-28(4)16-9-11-27(3)12-10-16)20(22(30)32-6-2)21(26-23(29)31)17-8-7-15(24)13-18(17)25/h7-8,13,16,21,27H,5-6,9-12,14H2,1-4H3,(H,26,31)/t21-/m0/s1/f/h26H 3817.6602512646 -2251.3488138 1-A 20056.9455 128 426 554 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961.3459 969.9275 979.2109 983.4504 1018.5501 1029.1586 1034.3723 1045.8817 1085.3834 1092.6614 1096.7589 1112.2604 1117.2788 1135.2336 1149.6385 1156.1545 1159.9633 1186.1641 1199.0172 1203.2482 1203.7926 1207.3093 1231.0996 1231.4351 1243.0369 1253.3536 1260.1095 1276.2224 1284.7117 1295.2540 1298.0232 1310.8452 1313.7959 1328.1624 1338.9663 1362.8299 1378.0811 1385.4371 1403.0961 1414.9095 1423.8186 1426.6520 1453.5161 1459.4472 1463.8925 1476.1258 1502.0785 1513.0400 1522.2637 1523.2402 1528.2011 1535.6324 1543.6241 1548.5905 1554.4983 1560.9720 1569.6965 1574.1021 1576.2072 1586.1625 1587.1901 1594.5988 1609.3702 1625.1485 1626.3756 1629.0470 1630.8295 1632.2448 1633.0682 1636.8385 1641.3875 1643.9988 1644.6438 1646.3679 1649.4983 1650.4563 1659.3426 1665.6727 1670.5073 1675.6103 1693.0442 1755.8578 1796.3365 1815.0023 1926.9738 1972.9551 3197.9197 3203.3469 3218.6274 3220.9306 3226.5982 3236.5544 3250.8602 3260.1652 3262.0028 3264.4402 3264.6125 3270.6423 3287.7347 3290.7339 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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 8784.1632 30747.7546 33262.5729 0.99997 -0.00200 -0.00759 0.00217 0.99977 0.02151 0.00755 -0.02153 0.99974 1 0.00986 0.00282 0.00260 0.20545 0.05870 0.05426 21.94 28.22 36.15 39.58 50.38 69.85 81.86 97.47 110.42 120.89 137.10 137.88 159.88 164.67 174.72 210.68 226.17 259.91 274.13 284.74 302.06 322.27 339.75 349.71 362.31 364.33 385.25 393.99 408.76 448.26 462.94 493.54 510.89 519.26 558.61 590.42 620.63 626.49 636.38 643.27 659.15 679.63 683.19 714.49 726.21 752.97 753.86 763.01 793.70 871.87 896.80 913.22 942.86 1006.07 1039.51 1058.40 1101.47 1139.83 1154.62 1170.90 1207.15 1234.93 1242.96 1250.95 1258.43 1276.99 1305.36 1322.26 1329.74 1363.20 1383.16 1395.51 1408.87 1414.97 1465.47 1480.73 1488.23 1504.79 1561.62 1572.10 1577.99 1600.29 1607.52 1633.35 1654.07 1663.45 1668.93 1706.63 1725.12 1731.21 1731.99 1737.05 1771.28 1771.76 1788.45 1803.30 1813.02 1836.20 1848.41 1863.58 1867.57 1886.01 1890.26 1910.93 1926.47 1960.81 1982.75 1993.34 2018.74 2035.74 2048.56 2052.63 2091.29 2099.82 2106.21 2123.82 2161.16 2176.93 2190.20 2191.60 2198.74 2209.43 2220.93 2228.08 2236.58 2245.89 2258.44 2264.78 2267.81 2282.13 2283.61 2294.27 2315.52 2338.23 2339.99 2343.84 2346.40 2348.44 2349.62 2355.05 2361.59 2365.35 2366.28 2368.76 2373.26 2374.64 2387.42 2396.53 2403.49 2410.83 2435.91 2526.29 2584.53 2611.38 2772.49 2838.64 4601.09 4608.90 4630.89 4634.20 4642.36 4656.68 4677.26 4690.65 4693.29 4696.80 4697.05 4705.72 4730.32 4734.63 4736.75 4738.32 4741.49 4746.36 4779.07 4780.10 4784.20 4784.83 4788.62 4792.66 4837.50 4840.83 4845.34 4853.83 4884.26 4908.17 4922.05 5306.91 5537.70 0.595166 0.625763 0.626707 0.530031 -2250.753647 -2250.723051 -2250.722107 -2250.818783 3.242529D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE CCN1C(=C([C@@H](NC1=O)c2ccc(cc2Cl)Cl)C(=O)OCC)CN(C)C3CC[NH+](CC3)C C35991218 RHF 6-31G(d) (6D,10F) C1 483.192972 |X|Y|Z| 122.075480 57.759863 42.635330 66.989706 20 6 7 16 4 |36.858105| |12.496872|36.858105| |7.644947|12.930536|53.358707| |5.662892|7.563705|18.701564|36.858105| |4.291188|5.098843|10.904678|14.155266|36.858105| |3.930571|4.478423|9.231536|7.703784|12.570346|36.858105| |3.234334|3.673798|6.978322|5.844978|9.009894|17.699423|0.500000| |4.312825|5.221256|11.164085|7.072851|7.957494|13.123705|0.259884|53.358707| |5.837399|7.853269|18.569818|7.858830|6.759311|7.713868|0.161529|19.168060|36.858105| |5.629899|7.121973|11.444613|5.417737|4.744178|5.374109|0.123727|11.560102|15.910908|73.516695| |3.783058|3.888406|7.120338|5.560570|7.408700|12.418955|0.249440|10.474220|5.806903|8.129407|36.858105| |4.206656|3.998696|6.875472|5.421691|6.424688|7.438366|0.158737|7.575868|5.026491|7.304701|13.717389|36.858105| |3.594163|3.269702|5.180892|3.930996|4.393018|4.957683|0.117600|5.613082|3.847717|6.016813|7.848203|13.771001|36.858105| |2.984309|2.785986|4.377337|3.257289|3.683945|4.399038|0.111007|5.146100|3.413497|5.507860|6.811196|7.993255|13.800163|36.858105| |2.813125|2.737770|4.418755|3.270594|3.823493|4.968153|0.131190|5.799768|3.614431|5.817504|7.834820|6.908319|7.940933|13.789981|36.858105| |3.090087|3.133902|5.352779|4.003581|4.963710|7.477537|0.197395|8.054053|4.545536|6.965067|13.683046|8.047906|6.920419|8.002644|13.780946|36.858105| |2.623520|2.766318|4.660529|3.439452|4.195694|6.179147|0.197705|7.590666|4.108935|6.538768|6.961016|4.762677|4.232889|4.802570|7.124303|10.892726|448.794386| |2.496030|2.296428|3.448090|2.544540|2.775397|3.140220|0.081761|3.855774|2.649424|4.431067|4.202638|4.778683|7.043492|10.973413|7.061436|4.787180|28.552414|448.794386| |3.354053|3.799714|6.885502|7.626707|12.827102|7.457696|0.200927|6.999258|4.446129|6.179321|5.654209|5.175114|3.879022|3.336359|3.438375|4.254390|29.976809|20.877558|36.858105| |3.113801|3.534180|5.977623|6.416453|7.916378|5.167395|0.141064|5.530985|3.743032|5.406133|4.199185|4.059163|3.239347|2.811783|2.844667|3.358892|24.373652|18.346136|15.860523|73.516695| |2.899640|3.162660|5.540714|5.334104|8.249389|7.160714|0.221474|6.430883|3.881167|5.574006|6.125714|5.300334|4.107558|3.675211|3.903294|4.884682|34.522869|22.699882|14.478201|15.368413|73.516695| |2.421432|2.598754|4.297885|3.941382|5.206181|4.683163|0.145272|4.781307|3.013751|4.521064|4.334604|3.988937|3.386327|3.131706|3.280550|3.819415|28.374891|20.470696|8.065736|12.777916|23.679578|36.858105| |2.165972|2.280412|3.709707|3.209385|4.096777|4.135189|0.131631|4.340549|2.704959|4.156189|4.140249|3.741024|3.354430|3.281758|3.535908|3.991990|30.568799|21.784603|5.271354|8.212340|14.282671|12.589437|36.858105| |5.222927|6.597015|10.507056|12.564005|7.583538|4.887466|0.115542|6.185242|5.059863|7.183449|4.013634|4.173810|3.288974|2.742080|2.683496|3.112879|21.914633|18.003965|6.364446|11.857411|7.949309|3.627058|2.902228|36.858105| |4.368814|5.842843|8.335955|7.625906|5.461025|3.970755|0.099282|5.374458|4.423005|6.643812|3.230715|3.226417|2.653373|2.301072|2.293145|2.639384|19.515575|15.494579|4.917304|9.683412|6.534896|3.139113|2.556794|12.987656|53.358707| |3.608872|4.826052|7.530971|6.687174|5.484989|4.141948|0.108542|5.713747|4.451808|6.673007|3.203687|3.033091|2.493785|2.221351|2.276064|2.667772|20.564196|14.913926|5.061892|9.854663|6.812910|3.279583|2.667424|7.705073|17.769642|36.858105| |3.616187|4.340517|5.814640|5.055251|4.082275|3.132082|0.080410|4.155835|3.329745|5.221732|2.686838|2.742651|2.338777|2.042661|2.011822|2.256778|16.733602|14.097207|4.024246|8.379944|5.610933|2.847307|2.335034|7.941417|17.884658|7.741632|36.858105| |3.218869|3.836069|4.863995|3.858225|3.204002|2.623133|0.068240|3.608449|2.923784|4.783173|2.281347|2.307173|2.012798|1.790956|1.772733|1.967637|14.874517|12.569547|3.102703|6.188037|4.548693|2.347319|1.988250|5.135252|10.498636|6.075812|12.422152|36.858105| |2.702524|3.031243|3.860452|3.056088|2.649389|2.219469|0.058355|3.008754|2.393206|3.965719|1.985460|2.030014|1.810036|1.620518|1.592656|1.739461|13.148450|11.567765|2.644117|5.303605|3.991293|2.118184|1.815224|3.917658|6.797559|4.212171|7.534556|12.498646|36.858105| |2.373699|2.637962|3.506561|2.858715|2.575138|2.152745|0.057520|2.856684|2.210247|3.626033|1.927772|1.960345|1.753006|1.578225|1.556309|1.698694|12.913788|11.290921|2.679830|5.536453|4.076386|2.219522|1.887003|3.607834|6.007806|3.971579|6.462222|7.627026|12.649732|53.358707| |2.267812|2.559801|3.449101|2.803520|2.553120|2.149675|0.058031|2.868648|2.202689|3.618411|1.903863|1.908754|1.701890|1.544044|1.536658|1.686160|12.981335|11.022918|2.664296|5.498524|4.067525|2.221289|1.890647|3.444037|5.874688|4.157122|5.909251|7.161320|9.324111|25.695622|0.500000| |2.511639|2.774970|3.798712|3.237289|2.952766|2.396904|0.063959|3.092376|2.360549|3.792003|2.145054|2.197869|1.948855|1.736555|1.704708|1.867248|14.022805|12.323439|3.189517|6.895088|4.763901|2.615293|2.166974|4.245042|6.734878|4.316967|7.526854|6.505444|7.656729|17.204979|0.259112|36.858105| |2.903240|3.344791|4.735672|4.241067|3.791267|2.931839|0.077777|3.754309|2.862097|4.481879|2.533488|2.562400|2.208433|1.951128|1.931299|2.158811|16.182298|13.553742|4.120655|9.324530|5.821093|3.096561|2.485834|5.941748|10.256353|6.412437|12.362189|7.595304|6.516437|10.410239|0.199884|12.512842|36.858105| |2.059268|2.225941|2.944613|2.361320|2.167694|1.856313|0.049851|2.461356|1.893399|3.144242|1.695349|1.732967|1.576666|1.430313|1.405057|1.514595|11.535814|10.379940|2.262213|4.590824|3.535624|1.955953|1.694333|2.869901|4.500037|3.030828|4.376550|4.972856|7.669525|17.402952|0.260453|7.662652|4.978717|36.858105| |17.587261|8.831560|9.417392|5.048022|4.116244|4.057197|0.092072|6.223583|6.204005|11.287550|4.081124|4.541099|3.951796|3.305988|3.108260|3.383649|22.714636|22.019879|3.193788|5.144924|5.066219|2.370224|2.163433|4.336084|4.988150|3.199120|3.061805|2.754345|2.353152|2.868174|0.056418|2.228267|2.555006|1.850879|0.500000| |17.550038|8.849361|7.575688|4.427382|3.490439|3.221767|0.076190|4.797622|4.565204|8.271682|3.116787|3.424400|3.051898|2.600360|2.451624|2.640689|18.433450|18.052977|2.861655|4.840985|4.455155|2.147072|1.935469|4.380198|5.343379|3.251275|3.413654|3.174693|2.712449|3.183861|0.061757|2.423234|2.729268|2.051713|0.301586|0.500000| |17.533149|8.747557|9.315289|5.912689|4.522245|3.970996|0.090468|5.520914|5.079899|8.183631|3.934833|4.646912|3.959580|3.160171|2.897920|3.149714|20.900033|21.148444|3.611737|5.995001|5.507512|2.587689|2.292022|5.776225|6.075559|3.567815|3.792114|3.246471|2.770447|3.350667|0.064542|2.666177|3.075392|2.138247|0.300920|0.301197|0.500000| |8.781655|17.692213|12.443501|7.163621|4.767840|3.954323|0.093219|5.949766|5.856636|9.402088|3.403509|3.510853|2.914901|2.496894|2.448259|2.778229|19.997790|16.802867|3.761925|6.516296|5.447874|2.568064|2.219772|7.751810|10.391390|5.611158|5.507417|4.854061|3.648702|4.176805|0.082021|3.202520|3.916461|2.531006|0.172918|0.211755|0.207629|0.500000| |8.890511|17.708021|12.613021|5.767450|4.309119|4.048790|0.095066|6.844406|7.747613|15.098097|3.515949|3.492101|2.934870|2.583801|2.584556|2.947880|21.610610|17.335975|3.303974|5.471826|5.033953|2.361023|2.107973|5.012960|6.645746|4.391791|3.763968|3.526965|2.813025|3.328261|0.066765|2.511281|2.974188|2.084567|0.213909|0.213136|0.173093|0.305017|0.500000| |3.753401|4.342761|8.118262|5.163582|5.746041|9.060597|0.222069|25.991873|9.698350|14.160035|6.826539|4.899696|3.878750|3.754728|4.423880|6.150717|52.373128|22.858368|4.210053|6.094262|7.282101|3.179653|3.005373|3.673317|4.495272|3.535531|2.647135|2.356362|1.996756|2.589318|0.053247|2.037483|2.423476|1.659286|0.113612|0.087877|0.097182|0.102242|0.121656|0.500000| |4.946463|4.629878|7.965180|6.667381|7.328806|6.908872|0.144907|7.260473|5.202691|7.397204|8.943718|17.756805|9.000203|5.690265|4.973613|5.693447|31.442461|31.720539|5.728012|8.135856|9.451861|3.998121|3.546763|5.178932|5.102042|3.376035|3.158917|2.591088|2.262019|2.952367|0.058134|2.459861|2.900160|1.899582|0.141355|0.108726|0.161931|0.113892|0.106953|0.124525|0.500000| |3.580136|3.137872|4.753585|3.606194|3.849459|4.053271|0.097528|4.756968|3.404486|5.429831|5.608977|8.903768|17.752638|8.932768|5.651512|4.979348|27.438981|53.713648|3.489421|5.379998|6.392206|3.074364|3.009768|3.169862|3.483075|2.357231|2.301423|1.985742|1.805943|2.375095|0.046689|1.941149|2.168866|1.580351|0.107955|0.085904|0.112824|0.078783|0.077720|0.090912|0.216717|0.500000| |2.463429|2.410105|3.808772|2.797449|3.214845|4.068485|0.112012|4.967462|3.130076|5.179593|5.607400|4.974674|5.648183|8.911580|17.772479|8.923121|54.882456|53.782546|2.960053|4.455731|5.975784|2.938619|3.252895|2.345810|2.790730|2.054653|1.817961|1.622271|1.467631|1.957877|0.039583|1.564515|1.756166|1.307318|0.075276|0.060735|0.069735|0.060425|0.064205|0.108212|0.107947|0.124229|0.500000| |2.415562|2.549119|4.117571|3.796501|4.757308|4.094796|0.119427|4.299105|2.811131|4.251760|3.932741|3.867744|3.353323|3.029575|3.051783|3.427649|24.638056|20.193372|7.225249|12.904483|16.524616|17.626016|8.807642|3.677390|4.269902|3.158728|2.928934|2.387101|2.185504|3.143806|0.063426|2.776742|3.239065|2.046500|0.065047|0.059819|0.072944|0.070753|0.063678|0.079107|0.111206|0.087086|0.075782|0.500000| |2.291908|2.506245|4.108902|3.744882|4.773180|4.232379|0.133714|4.533777|2.881212|4.357027|3.723990|3.388893|2.895391|2.704770|2.856592|3.326537|25.947647|18.025735|7.233539|12.933377|16.518572|17.624665|8.803307|3.527481|4.342478|3.457344|2.917301|2.421006|2.183387|3.159500|0.065414|2.734625|3.262323|2.035605|0.061849|0.056969|0.067202|0.069714|0.063879|0.084122|0.095401|0.073746|0.072332|0.302074|0.500000| |2.126044|2.262428|3.708877|3.143071|4.029722|4.312498|0.145596|4.579840|2.781168|4.290208|4.213274|3.606627|3.216564|3.236673|3.648275|4.236981|35.078061|21.360460|4.902170|7.470751|12.862871|8.850743|17.580000|2.774696|3.383581|2.650934|2.240881|1.932559|1.752052|2.463520|0.050758|2.047619|2.357817|1.622633|0.059461|0.052775|0.061550|0.060718|0.058829|0.089875|0.093103|0.078899|0.094931|0.172936|0.211110|0.500000| |2.225475|2.295441|3.718172|3.176173|4.024391|4.171766|0.127763|4.341488|2.719942|4.192206|4.530777|4.209663|3.891374|3.849733|4.090378|4.458787|32.050421|25.302886|4.904519|7.469756|12.885089|8.854489|17.582449|2.848034|3.350504|2.509648|2.247058|1.915776|1.753628|2.456546|0.049818|2.065627|2.349665|1.628412|0.062340|0.055057|0.065932|0.061439|0.058708|0.083885|0.107802|0.096121|0.103289|0.211135|0.172933|0.300885|0.500000| |1.948652|2.041507|3.245630|2.770696|3.386476|3.357456|0.104476|3.686697|2.353679|3.677194|3.358362|3.125501|2.886019|2.843184|3.011491|3.282797|25.594675|19.647577|4.269350|7.111634|10.209527|8.910302|17.563327|2.583824|3.160849|2.418444|2.168056|1.866655|1.728753|2.472170|0.050615|2.082803|2.342986|1.649039|0.053852|0.048959|0.057223|0.055712|0.052716|0.071527|0.083522|0.073705|0.078712|0.211622|0.211359|0.300845|0.300763|0.500000| |4.250377|4.885137|7.786769|9.032546|7.365795|4.665885|0.114005|5.511706|4.209609|6.077892|3.952346|4.170532|3.318674|2.758341|2.681012|3.083299|21.568602|18.176905|7.563436|16.025872|9.012770|4.193020|3.217162|17.730481|12.241424|6.474638|7.326178|4.647298|3.782607|5.013581|0.096885|4.626757|6.582101|2.951094|0.102237|0.101597|0.134336|0.150859|0.109264|0.092899|0.143964|0.089435|0.065100|0.122511|0.112397|0.083267|0.087209|0.079666|0.500000| |6.416085|7.390368|9.802874|8.990809|5.881060|4.247259|0.099662|5.532455|4.726731|7.008720|3.743418|4.097395|3.321359|2.727467|2.604977|2.942443|20.366634|18.160117|4.953664|8.998353|6.727719|3.152266|2.608876|17.587901|12.519683|5.693370|7.111789|4.970011|3.920461|4.734204|0.089929|3.996436|5.114681|2.828291|0.137695|0.149242|0.213440|0.252292|0.147187|0.093586|0.144576|0.091467|0.063274|0.090201|0.083935|0.069063|0.072488|0.065170|0.304379|0.500000| |3.193090|4.032800|6.544233|6.216076|5.807148|4.284956|0.116730|5.556287|4.047575|6.004892|3.283981|3.069077|2.518616|2.255224|2.326392|2.742498|21.301420|15.095147|6.017705|12.591103|7.883990|3.842730|3.016674|6.878232|12.111772|17.551485|6.588304|5.027596|3.812470|5.234833|0.112933|4.394263|6.689783|2.975076|0.080409|0.079590|0.089728|0.124002|0.101793|0.096106|0.093962|0.065740|0.058381|0.101652|0.116394|0.082982|0.077126|0.075838|0.184968|0.139516|0.500000| |3.187483|4.145824|6.014617|4.904171|4.191806|3.397483|0.090797|4.784822|3.744285|5.904157|2.725660|2.592988|2.188662|1.976809|2.025718|2.336314|18.312942|13.512261|3.980644|7.777792|5.676740|2.838047|2.364900|5.617019|12.418392|17.598033|7.230977|6.879947|4.624531|5.876539|0.131208|4.379250|6.149589|3.241733|0.078953|0.082425|0.086459|0.134912|0.109544|0.085307|0.078969|0.057924|0.051438|0.076328|0.083959|0.065577|0.061754|0.060564|0.137102|0.127966|0.300050|0.500000| |3.871124|5.465185|9.126451|7.403005|5.991509|4.740991|0.122856|7.018304|5.569497|8.167990|3.508294|3.222052|2.615849|2.345703|2.438705|2.910858|22.743330|15.568740|4.997135|8.863894|6.891717|3.214504|2.673902|6.900316|12.442028|17.637251|5.671817|4.833107|3.520122|4.454643|0.094516|3.480874|4.733621|2.605923|0.097059|0.095165|0.102746|0.166357|0.143031|0.118259|0.098041|0.067698|0.061037|0.084078|0.092873|0.075190|0.070312|0.066561|0.154824|0.147706|0.301244|0.305288|0.500000| |3.887112|4.406686|5.683408|4.881000|3.914336|3.025426|0.076535|3.975326|3.217289|5.075424|2.681026|2.822429|2.430026|2.093643|2.026815|2.243765|16.308920|14.530036|3.830765|7.818773|5.419336|2.753693|2.278045|7.912208|12.704988|5.692885|17.520367|9.004569|7.003152|7.934328|0.138601|6.985628|8.929705|4.258508|0.089634|0.102996|0.117604|0.155537|0.103341|0.070540|0.091968|0.067532|0.050677|0.080155|0.076632|0.060125|0.061814|0.058821|0.208810|0.233097|0.140787|0.144647|0.128472|0.500000| |3.575537|4.294626|5.110069|3.846269|3.115789|2.598531|0.066749|3.657893|3.051736|5.089250|2.277958|2.316618|2.028001|1.801828|1.777536|1.966148|14.803247|12.669293|2.910440|5.608936|4.308960|2.196468|1.886757|4.966284|9.624961|5.434892|8.835000|17.591969|8.956210|7.582611|0.145060|4.890234|5.519020|4.137816|0.083465|0.100604|0.097935|0.157034|0.110971|0.066530|0.072325|0.055743|0.045169|0.061758|0.062156|0.051179|0.050974|0.049011|0.119107|0.141529|0.121490|0.165582|0.129783|0.217501|0.500000| |2.938103|3.566182|4.652979|3.657129|3.111679|2.588376|0.068394|3.601145|2.881645|4.739791|2.219042|2.199392|1.917370|1.726806|1.730284|1.932000|14.877278|12.111667|3.025122|6.005274|4.473337|2.318234|1.971053|4.560322|9.397421|6.597791|8.757599|17.549226|8.887824|9.299570|0.208676|5.660407|6.766897|4.605530|0.071352|0.079926|0.080833|0.121217|0.093962|0.065786|0.067546|0.052046|0.044224|0.064557|0.067409|0.053748|0.052280|0.051494|0.115294|0.117372|0.149955|0.242786|0.144287|0.174405|0.304102|0.500000| |2.787718|3.026891|3.792585|2.993005|2.586207|2.169699|0.056576|2.922963|2.336324|3.878509|1.974091|2.051774|1.843491|1.639536|1.594367|1.726781|12.894860|11.765164|2.573502|5.124754|3.904419|2.071984|1.783106|3.872509|6.278810|3.733277|6.775463|8.765640|17.603411|12.441566|0.182223|7.022800|5.751514|7.095471|0.066929|0.078611|0.080699|0.100964|0.077029|0.053900|0.063972|0.051630|0.040729|0.060007|0.058558|0.047504|0.048284|0.047190|0.104799|0.112517|0.094807|0.108475|0.088819|0.206596|0.213821|0.173223|0.500000| |2.470459|2.756539|3.482483|2.688474|2.356691|2.020743|0.053439|2.773553|2.206782|3.716823|1.816293|1.846157|1.660439|1.500853|1.480314|1.609968|12.284375|10.792586|2.334312|4.599344|3.584765|1.910097|1.660570|3.293560|5.599148|3.664195|5.477111|8.768773|17.623081|12.367007|0.223990|5.601143|4.891276|7.205839|0.060433|0.069781|0.069250|0.090639|0.072789|0.051699|0.056484|0.045983|0.038128|0.054348|0.054785|0.044818|0.044587|0.044099|0.087549|0.091810|0.092126|0.114555|0.087892|0.141990|0.211442|0.215481|0.301379|0.500000| |2.581200|2.773489|3.736399|3.164800|2.867694|2.335677|0.061663|3.000899|2.307146|3.717387|2.131673|2.226589|1.991602|1.760641|1.707393|1.852282|13.720990|12.566774|3.069315|6.518510|4.619985|2.530492|2.113431|4.191687|6.235337|3.808246|6.778863|5.755211|7.024163|12.429088|0.182199|17.601897|8.756434|7.081234|0.063254|0.069652|0.077429|0.088763|0.069005|0.054960|0.069838|0.055775|0.043426|0.075728|0.071986|0.055056|0.056696|0.056430|0.128141|0.114960|0.105938|0.104339|0.088053|0.206351|0.129300|0.132102|0.212847|0.144139|0.500000| |2.234893|2.446951|3.405912|2.900339|2.736732|2.256350|0.061116|2.884632|2.163479|3.482819|2.031821|2.068810|1.849326|1.663270|1.638840|1.788587|13.538335|11.871633|3.036098|6.606073|4.640881|2.622375|2.178387|3.626854|5.537757|3.779126|5.469681|4.881837|5.602597|12.367044|0.224138|17.623171|8.771647|7.204613|0.055968|0.059731|0.065763|0.076574|0.062143|0.053243|0.063515|0.051074|0.042003|0.077785|0.077200|0.056970|0.057213|0.058946|0.111740|0.093919|0.111179|0.106589|0.086529|0.141639|0.107657|0.127042|0.144203|0.126643|0.301289|0.500000| |2.675916|3.136541|4.526867|3.994996|3.678121|2.901454|0.078647|3.750446|2.814990|4.423887|2.462721|2.430059|2.093906|1.877225|1.885265|2.122575|16.261816|13.034386|4.028368|9.047313|5.769701|3.098139|2.493912|5.131607|9.209107|7.063348|8.766357|6.817483|5.714583|9.394658|0.211926|8.903682|17.538789|4.632094|0.066467|0.069817|0.077074|0.100200|0.079404|0.067715|0.074907|0.056498|0.047923|0.087820|0.093403|0.066594|0.064489|0.065513|0.151937|0.119857|0.219496|0.203152|0.140500|0.173923|0.139423|0.198457|0.132790|0.128252|0.173177|0.214940|0.500000| |2.926924|3.310400|4.857877|4.567192|4.247948|3.186906|0.084641|3.931920|2.933992|4.516199|2.766019|2.818014|2.409455|2.110226|2.080469|2.331413|17.250511|14.545969|4.934717|12.151777|6.799013|3.650821|2.831088|6.404028|9.288676|5.879087|8.736963|5.502747|4.876859|7.587959|0.145853|8.950869|17.592686|4.136298|0.072209|0.075064|0.087949|0.104559|0.080584|0.070029|0.089381|0.065663|0.052211|0.108852|0.106334|0.073235|0.074069|0.073822|0.227373|0.148237|0.184979|0.144493|0.125880|0.212676|0.123149|0.138750|0.128428|0.107542|0.211871|0.212467|0.305080|0.500000| |1.962666|2.124817|2.784169|2.192070|2.008665|1.743838|0.046897|2.340472|1.807988|3.034515|1.593190|1.620854|1.480038|1.350579|1.330867|1.432483|10.983363|9.837766|2.067500|4.126409|3.255108|1.793106|1.570152|2.611700|4.127342|2.828256|3.866503|4.660861|7.083366|12.307023|0.224024|5.582358|4.148019|17.646541|0.049184|0.054799|0.055935|0.066927|0.056023|0.044095|0.049040|0.041147|0.034529|0.051625|0.051831|0.042075|0.041971|0.042440|0.073157|0.071804|0.076065|0.085584|0.068609|0.103436|0.111716|0.124293|0.175712|0.221113|0.144015|0.146090|0.111277|0.096615|0.500000| |1.906940|2.056395|2.767223|2.236829|2.093585|1.800935|0.048808|2.367605|1.797712|2.976789|1.648010|1.677527|1.530750|1.395726|1.374861|1.480318|11.327198|10.152272|2.223973|4.544558|3.511645|1.974275|1.711673|2.674865|4.116906|2.849996|3.865498|4.142253|5.586034|12.309585|0.224157|7.078211|4.666345|17.647275|0.048078|0.052362|0.055112|0.064030|0.053581|0.044489|0.050762|0.042535|0.035635|0.057556|0.057521|0.045429|0.045451|0.046657|0.077726|0.072220|0.079760|0.084064|0.068333|0.103378|0.096598|0.110551|0.144212|0.146123|0.175384|0.221067|0.124828|0.111869|0.299247|0.500000| 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