Version2.2 2021-02-09T21:17:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 08-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCN(CC1)C[C@H](COc2ccc(cc2)C[NH2+]CC(CC=C)(CC=C)O)O C22913154 RHF 6-31G(d) (6D,7F) C[NH+]1CCN(CC1)C[C@H](COc2ccc(cc2)C[NH2+]CC(CC=C)(CC=C)O)O C01[X(C23H39N3O3)] 198 C1 513 C=CCC(C[NH2+]Cc1ccc(cc1)OC[C@@H](CN1CC[NH+](CC1)C)O)(CC=C)O C=CCC(C[NH2+]Cc1ccc(cc1)OC[C@@H](CN1CC[NH+](CC1)C)O)(CC=C)O C[NH+]1CCN(CC1)C[C@@H](O)COc2ccc(C[NH2+]CC(O)(CC=C)CC=C)cc2 InChIKey=LLMXDSNEQYSTTN-OAQYLSRUSA-P InChI=1S/C23H37N3O3/c1-4-10-23(28,11-5-2)19-24-16-20-6-8-22(9-7-20)29-18-21(27)17-26-14-12-25(3)13-15-26/h4-9,21,24,27-28H,1-2,10-19H2,3H3/p+2/t21-/m1/s1 InChI=1/C23H37N3O3/c1-4-10-23(28,11-5-2)19-24-16-20-6-8-22(9-7-20)29-18-21(27)17-26-14-12-25(3)13-15-26/h4-9,21,24,27-28H,1-2,10-19H2,3H3/p+2/t21-/m1/s1/fC23H39N3O3/h24-25H/q+2 C[NH+]1CCN(CC1)C[C@H](COc2ccc(cc2)C[NH2+]CC(CC=C)(CC=C)O)O C01[X(C23H39N3O3)] 198 C01 513 C=CCC(C[NH2+]Cc1ccc(cc1)OC[C@@H](CN1CC[NH+](CC1)C)O)(CC=C)O C=CCC(CC=C)(C[NH2]C[C]1[CH][CH][C]([CH][CH]1)OC[C@@H](CN1CC[NH](CC1)C)O)O C[NH]1CCN(CC1)C[C@@H](O)CO[C]2[CH][CH][C]([CH][CH]2)C[NH2]CC(O)(CC=C)CC=C InChIKey=CXSNVAOVJOVTPS-OAQYLSRUSA-N InChI=1S/C23H39N3O3/c1-4-10-23(28,11-5-2)19-24-16-20-6-8-22(9-7-20)29-18-21(27)17-26-14-12-25(3)13-15-26/h4-9,21,25,27-28H,1-2,10-19,24H2,3H3/t21-/m1/s1 InChI=1/C23H39N3O3/c1-4-10-23(28,11-5-2)19-24-16-20-6-8-22(9-7-20)29-18-21(27)17-26-14-12-25(3)13-15-26/h4-9,21,25,27-28H,1-2,10-19,24H2,3H3/t21-/m1/s1 2624.5347377150 -1281.0859163 1-A 33285.0051 110 403 513 |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| -20.75541 -20.74716 -20.72578 -15.90818 -15.87872 -15.75515 -11.49506 -11.49258 -11.48937 -11.48344 -11.47626 -11.47242 -11.46918 -11.46265 -11.45690 -11.45517 -11.45337 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|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|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| 11.0945 12.6878 16.3276 31.3664 36.5585 42.0275 53.0165 61.2146 72.2490 82.0770 91.0246 96.6089 105.6672 115.5137 125.2453 137.4134 158.4346 167.9844 179.3507 210.2846 238.8470 241.1170 244.0010 254.5439 269.0297 280.1974 288.1024 299.2895 324.3581 346.9438 355.5096 358.4426 383.6337 386.2853 410.5851 421.5277 430.9051 444.8431 462.2535 464.9469 478.2710 490.8855 503.6197 529.8041 540.6300 555.2907 573.9486 586.0915 619.4004 662.1882 689.4944 699.2782 704.1281 768.4627 797.8644 832.6956 844.4837 856.5461 874.3263 893.9757 908.6698 919.6340 930.6842 948.7286 954.5637 968.8643 973.6697 975.0984 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3.8347 3.5928 30.8352 5.4198 31.8132 4.0854 244.5749 36.6795 76.9494 45.9630 37.7798 10.3556 103.3105 51.7217 6.4342 7.5165 3.7675 1.6598 2.6482 6.5387 7.2994 6.6351 26.3176 41.5520 2.9447 30.7357 15.6631 5.9581 33.9324 5.5185 153.2870 29.9345 173.9247 38.8014 2.2306 0.9934 14.6337 63.0861 51.9081 83.7161 22.8674 9.3757 19.8848 29.8430 8.6516 12.5139 2.6272 4.4509 2.6359 8.5129 28.8561 6.2778 15.9320 15.4575 10.0747 2.5636 0.7673 2.2373 2.4368 3.4459 5.1721 0.2646 15.9695 10.9620 1.1769 1.9065 0.8299 8.6009 10.0798 7.7763 67.5668 46.9560 57.6397 43.3405 104.5160 0.1752 1.3520 0.8566 0.6096 0.3974 4.3811 1.4637 2.3959 5.0591 6.1577 1.1078 2.0370 1.6036 1.7694 0.8112 1.2219 0.3595 1.0387 0.4017 4.7802 0.0861 1.2422 0.6240 0.5011 1.2924 3.0500 1.1914 0.7292 0.9918 0.6509 1.6294 0.5621 0.3445 2.5465 2.7787 0.2078 1.6435 2.0224 1.4239 0.8387 0.3189 0.7470 2.6635 2.1528 4.2784 3.5670 0.7797 6.5672 0.6178 2.2054 2.2099 7.4133 3.5595 10.4074 1.3353 17.2872 1.1233 0.9216 2.1394 0.4271 3.7617 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258.05 302.55 343.65 346.91 351.06 366.23 387.07 403.14 414.52 430.61 466.68 499.17 511.50 515.72 551.96 555.78 590.74 606.48 619.98 640.03 665.08 668.95 688.13 706.27 724.60 762.27 777.85 798.94 825.78 843.25 891.18 952.74 992.03 1006.11 1013.08 1105.65 1147.95 1198.06 1215.02 1232.38 1257.96 1286.23 1307.37 1323.15 1339.05 1365.01 1373.40 1393.98 1400.89 1402.95 1435.58 1471.67 1473.82 1481.22 1508.23 1528.51 1542.96 1562.11 1564.04 1586.36 1591.27 1598.31 1601.40 1604.36 1615.97 1630.48 1634.61 1639.37 1650.66 1659.14 1670.76 1682.50 1702.90 1720.07 1733.05 1742.74 1751.64 1778.99 1808.17 1834.93 1845.88 1862.98 1876.08 1883.42 1894.33 1900.23 1910.41 1919.12 1928.52 1959.74 1968.81 2006.15 2029.98 2056.15 2064.29 2069.11 2078.68 2084.67 2094.48 2098.76 2106.21 2113.32 2121.51 2134.86 2150.50 2153.73 2178.55 2190.41 2202.34 2211.23 2217.10 2247.70 2253.55 2275.00 2278.33 2284.44 2288.14 2289.92 2298.36 2301.17 2301.63 2308.73 2318.96 2334.43 2335.66 2347.98 2356.73 2360.18 2361.55 2364.48 2371.07 2375.36 2378.41 2388.63 2395.88 2442.92 2550.23 2609.32 2642.76 2694.27 2696.57 4494.48 4506.29 4538.58 4562.88 4604.72 4630.33 4637.47 4670.73 4679.50 4691.07 4693.58 4714.58 4714.85 4721.07 4723.79 4730.16 4731.35 4790.13 4794.63 4800.59 4801.72 4809.26 4809.52 4814.10 4820.98 4825.05 4826.07 4831.66 4840.40 4846.09 4904.15 4909.44 4919.53 4928.30 5263.63 5296.47 5375.52 5886.19 5888.77 0.657846 0.687432 0.688376 0.592243 -1280.428070 -1280.398484 -1280.397540 -1280.493673 3.224317D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE C[NH+]1CCN(CC1)C[C@H](COc2ccc(cc2)C[NH2+]CC(CC=C)(CC=C)O)O C22913154 RHF 6-31G(d) (6D,10F) C1 405.299142 |X|Y|Z| 175.361772 39.936858 30.627192 59.860269 16 6 7 8 13 2 1 |36.858105| |12.763994|53.358707| |9.370644|25.682788|0.500000| |7.662559|17.270178|0.259091|36.858105| |4.983207|10.454680|0.198317|12.527642|36.858105| |4.474586|9.035140|0.165623|7.818651|13.168568|53.358707| |4.978767|10.433117|0.198009|6.645335|7.991168|17.904482|36.858105| |7.658568|17.254709|0.258989|7.721473|6.665944|10.664135|12.534560|36.858105| |3.341246|6.057494|0.118693|5.091528|7.912296|17.798289|7.783458|5.061140|36.858105| |2.907103|4.972996|0.096705|3.869146|5.026276|10.367644|6.425787|4.436676|12.401762|36.858105| |2.867713|4.889465|0.097321|3.597966|4.516559|8.928212|6.681089|4.489705|8.824107|17.612719|0.500000| |2.383167|3.910749|0.077265|3.088923|3.892527|6.813528|4.286824|3.284181|7.593324|12.492706|0.250980|36.858105| |2.151495|3.438010|0.068106|2.621975|3.131700|5.345233|3.666818|2.926056|5.143960|8.092934|0.214825|13.598126|73.516695| |1.872105|2.929590|0.058408|2.239309|2.620558|4.244247|2.923365|2.427501|3.911120|5.232468|0.140856|7.969030|25.259672|36.858105| |1.727967|2.659355|0.053121|1.993328|2.270157|3.632052|2.594339|2.211315|3.171033|4.106729|0.116685|5.251746|14.637512|13.644230|36.858105| |1.538971|2.338016|0.046880|1.756367|1.976397|3.074952|2.192510|1.909081|2.631888|3.210037|0.090218|3.981186|9.454080|7.939335|13.867067|36.858105| |1.469714|2.230140|0.044810|1.697550|1.917830|2.929495|2.049602|1.790668|2.524272|2.969063|0.081358|3.766223|8.201563|6.823416|7.899824|13.633251|36.858105| |1.556421|2.384183|0.047882|1.842953|2.116701|3.226724|2.203224|1.901728|2.856046|3.327380|0.088565|4.483787|9.259875|7.946595|6.895122|7.972794|13.759817|36.858105| |1.755266|2.732566|0.054686|2.127102|2.496992|3.900302|2.617423|2.203424|3.601427|4.377407|0.113479|6.653323|14.005701|13.734958|7.914291|6.872360|7.879428|13.721718|36.858105| |1.317168|1.975691|0.039798|1.500207|1.672062|2.507973|1.765075|1.569042|2.112701|2.406705|0.066184|2.913780|6.013326|4.435388|5.029760|7.558345|12.673333|7.578796|5.016600|36.858105| |1.264214|1.880189|0.037639|1.431207|1.577375|2.356734|1.653420|1.489623|1.956250|2.215550|0.060203|2.630401|5.340852|3.776950|4.216946|5.765071|7.665398|5.701175|4.177783|12.621196|53.358707| |1.289087|1.913858|0.038182|1.450388|1.591722|2.396458|1.690501|1.526994|1.978348|2.270045|0.061860|2.670447|5.532619|3.892668|4.544446|6.277049|7.226805|5.233693|4.083001|9.219297|25.723474|0.500000| |1.287466|1.916580|0.038258|1.470827|1.624416|2.420387|1.679010|1.512724|2.016237|2.270344|0.060799|2.721880|5.422370|3.820609|4.042772|5.173958|7.045051|6.039630|4.405139|9.135695|25.628628|0.329955|0.500000| |1.149983|1.696545|0.034048|1.287812|1.406319|2.076224|1.464388|1.333780|1.699383|1.888546|0.051567|2.185103|4.329566|2.924444|3.211080|4.098508|4.946998|4.057725|3.183151|7.506163|17.315187|0.254872|0.259742|36.858105| |1.108481|1.624650|0.032470|1.236807|1.339624|1.967905|1.383304|1.272361|1.594191|1.757698|0.047599|2.006693|3.912917|2.572347|2.763245|3.331402|3.833459|3.367856|2.778025|4.925799|10.396130|0.191106|0.207586|12.403726|36.858105| |1.021718|1.490233|0.029871|1.133445|1.221658|1.777060|1.252108|1.158657|1.429018|1.552984|0.042180|1.750412|3.358443|2.163126|2.291255|2.688461|3.046200|2.762394|2.332500|3.817310|6.794299|0.125241|0.136198|7.592731|12.365374|36.858105| |1.008791|1.474171|0.029640|1.125826|1.217826|1.759368|1.234034|1.139185|1.420019|1.527065|0.041389|1.728582|3.271607|2.104551|2.183031|2.537437|2.947776|2.760673|2.317147|3.691486|6.080122|0.107023|0.126021|6.264556|7.423330|12.641212|36.858105| |0.969607|1.415964|0.028580|1.078226|1.165897|1.677876|1.181875|1.091394|1.351949|1.446010|0.039430|1.628148|3.072088|1.964253|2.038813|2.359521|2.716732|2.545487|2.152460|3.395034|5.190388|0.092122|0.104094|5.147826|5.254552|7.615795|14.436532|36.858105| |1.107014|1.615028|0.032167|1.222538|1.314481|1.940793|1.373811|1.271772|1.557577|1.730579|0.047028|1.946920|3.835200|2.484290|2.727519|3.237525|3.479900|3.014996|2.584622|4.162873|8.250327|0.183445|0.158676|7.503452|12.331911|7.490536|4.867721|3.868689|36.858105| |1.076075|1.560440|0.030972|1.184206|1.263825|1.856445|1.310345|1.223789|1.476150|1.625999|0.043901|1.807171|3.503185|2.217664|2.379160|2.705989|2.867751|2.598515|2.300902|3.235130|5.900213|0.128929|0.122341|4.890662|7.428150|6.020342|4.220464|3.367260|12.635847|36.858105| |1.008637|1.454244|0.028890|1.099916|1.166171|1.704232|1.208725|1.136857|1.343537|1.468902|0.039818|1.611187|3.100689|1.932479|2.067477|2.314553|2.415713|2.208628|1.987653|2.697522|4.635001|0.099877|0.094549|3.879121|5.339041|5.138795|3.739720|3.107804|7.605371|14.443427|36.858105| |1.158408|1.702502|0.033927|1.307504|1.421644|2.085893|1.449188|1.329808|1.699281|1.867674|0.049915|2.156998|4.152688|2.738234|2.845701|3.354401|3.983345|3.702882|3.043810|4.818076|9.992551|0.178455|0.254224|8.234396|13.464165|7.797399|6.491565|4.587390|7.823502|6.495953|4.648328|73.516695| |3.011364|5.003372|0.093414|3.841990|4.572091|9.299227|6.059220|4.646113|7.808219|13.659279|0.267656|7.869286|11.883921|4.636743|3.876987|3.057115|2.786035|3.037453|3.846338|2.288257|2.944861|0.062527|0.061719|1.849327|1.746597|1.537591|1.495694|1.407125|1.747236|1.659389|1.501554|3.301348|73.516695| |17.647226|12.306136|0.224304|5.587067|4.155257|5.355404|4.643511|7.063645|3.045247|2.732572|0.076647|2.251493|3.678468|1.806803|1.686782|1.504607|1.428677|1.500530|1.683128|1.283998|1.675049|0.034920|0.034653|1.122255|1.079908|0.996631|0.982203|0.946057|1.081397|1.049475|0.985975|1.995848|5.026055|0.500000| |17.646369|12.303154|0.224109|7.069011|4.644751|5.353808|4.150389|5.584143|3.050154|2.622841|0.071451|2.203798|3.526928|1.747207|1.611177|1.447374|1.393391|1.479401|1.658120|1.256090|1.642058|0.034038|0.034178|1.102200|1.064097|0.985029|0.976085|0.939915|1.059181|1.031271|0.968404|1.978724|4.744178|0.299153|0.500000| |17.651459|12.328379|0.181426|6.971364|4.620383|5.876250|4.618094|6.974089|3.248708|2.886039|0.077893|2.373574|3.825634|1.874150|1.732643|1.543214|1.472488|1.557514|1.755333|1.319817|1.735845|0.036233|0.036162|1.159250|1.122763|1.033053|1.016965|0.974224|1.125445|1.098649|1.029970|2.090463|5.496132|0.299134|0.299063|0.500000| |7.110749|12.430135|0.182072|17.632820|8.833303|9.583124|5.835894|7.024847|4.764775|3.804758|0.096151|3.057906|4.647511|2.236423|1.995069|1.758393|1.698007|1.840613|2.121859|1.501101|1.966262|0.040816|0.041376|1.298605|1.254696|1.147279|1.135619|1.083105|1.245431|1.212622|1.126123|2.365585|7.104083|0.144352|0.176432|0.213679|0.500000| |7.103277|12.353225|0.225467|17.623143|8.791524|7.665394|4.972536|5.623433|4.179079|3.250728|0.084783|2.713581|4.137307|2.028219|1.815696|1.620280|1.578983|1.713553|1.953898|1.408589|1.831793|0.037733|0.038441|1.219167|1.173496|1.081740|1.078564|1.035734|1.156702|1.122974|1.046365|2.204790|5.660069|0.144944|0.217068|0.173308|0.299803|0.500000| |4.149721|7.631436|0.145069|9.016556|17.598473|12.471213|5.731455|4.976121|7.363202|4.733691|0.113469|3.911143|5.488407|2.625732|2.248220|1.973413|1.941950|2.170845|2.561776|1.695901|2.186766|0.044838|0.046307|1.431762|1.369032|1.248943|1.249755|1.193575|1.336847|1.289266|1.187288|2.602617|7.677856|0.096911|0.111545|0.111197|0.216512|0.212894|0.500000| |4.584152|9.319533|0.207467|8.845660|17.404460|12.222872|7.087303|5.782986|6.893349|4.537332|0.119029|3.648427|5.287115|2.521896|2.196202|1.925104|1.874260|2.065767|2.418654|1.641630|2.090572|0.042852|0.043755|1.375093|1.303067|1.193572|1.194820|1.149984|1.273190|1.219164|1.126916|2.447793|7.001443|0.110348|0.122864|0.112788|0.173215|0.215047|0.302429|0.500000| |4.159437|7.644912|0.145156|4.977972|5.736879|12.472336|17.660351|9.072725|7.162870|7.437095|0.235764|4.687247|7.426635|3.231402|2.895012|2.397387|2.197783|2.337982|2.797091|1.874183|2.386266|0.050167|0.049233|1.542441|1.452366|1.306348|1.279721|1.222870|1.450704|1.378532|1.268471|2.695970|13.315762|0.111819|0.097047|0.111562|0.131100|0.109314|0.127816|0.143768|0.500000| |4.579109|9.299425|0.206997|5.768503|7.086735|12.217094|17.399897|8.839734|6.804456|5.567418|0.171565|3.989970|6.142260|2.807652|2.507326|2.137404|2.005120|2.151399|2.535068|1.735347|2.192163|0.045504|0.045225|1.432837|1.345809|1.223789|1.211147|1.166340|1.330438|1.263496|1.167684|2.495154|8.611914|0.122809|0.110185|0.112714|0.133522|0.129695|0.143834|0.209301|0.301171|0.500000| |7.109961|12.354810|0.225380|5.625315|4.982370|7.674050|8.797691|17.624986|4.147635|3.844828|0.112784|2.942877|4.816056|2.276527|2.114502|1.835421|1.710392|1.794691|2.055569|1.508016|1.946753|0.040802|0.040107|1.286783|1.225850|1.119307|1.098417|1.055469|1.229369|1.181488|1.101554|2.262380|7.114024|0.217224|0.144972|0.173697|0.143614|0.126705|0.109285|0.129904|0.213893|0.214821|0.500000| |7.096138|12.415954|0.181968|7.027878|5.857210|9.618541|8.850553|17.634457|4.746262|4.357102|0.118192|3.253767|5.197809|2.429130|2.219342|1.915625|1.793859|1.901318|2.200460|1.572041|2.050504|0.043093|0.042628|1.347157|1.293012|1.174318|1.149983|1.097061|1.299009|1.256420|1.166937|2.409140|8.809369|0.175944|0.144181|0.213383|0.211127|0.143543|0.131067|0.133873|0.218472|0.173293|0.299771|0.500000| |3.104362|5.421818|0.105028|4.860950|7.384535|12.640032|5.695864|4.258211|17.530235|8.833727|0.174378|7.249594|8.511594|3.816960|3.048615|2.577825|2.531075|2.924030|3.690077|2.127081|2.703704|0.055482|0.057550|1.724864|1.628627|1.460147|1.457359|1.382147|1.581989|1.506942|1.368121|3.120779|11.838873|0.077514|0.080457|0.085244|0.130988|0.114547|0.231482|0.172832|0.146007|0.140552|0.097837|0.115477|0.500000| |3.132040|5.638115|0.116688|4.592574|7.062799|12.224328|6.809553|4.522030|17.442889|8.861106|0.221048|6.758616|8.522057|3.779963|3.084511|2.591437|2.504939|2.839576|3.544245|2.106956|2.617742|0.053592|0.054762|1.678916|1.562246|1.408185|1.408179|1.349833|1.515629|1.428184|1.302306|2.945329|10.145001|0.080523|0.080885|0.082468|0.114120|0.109695|0.180269|0.203323|0.170278|0.195153|0.107509|0.112814|0.302491|0.500000| |2.315515|3.746552|0.073066|3.041816|3.780171|6.367063|3.840993|3.075972|6.687460|8.842348|0.175760|17.530410|16.506603|7.023437|4.747364|3.780128|3.713437|4.553430|6.700554|2.905036|3.660495|0.075641|0.078999|2.227601|2.074894|1.803228|1.782839|1.664543|2.007046|1.881069|1.668916|4.037949|12.801839|0.060132|0.059900|0.064891|0.085538|0.074765|0.110105|0.096088|0.113366|0.097473|0.075849|0.086627|0.207045|0.157800|0.500000| |2.290396|3.767079|0.076033|2.985455|3.830254|6.342717|4.014296|3.074721|7.175711|8.819650|0.209726|17.536600|16.534740|7.063929|4.791478|3.814314|3.739431|4.573039|6.701093|2.923394|3.511559|0.071423|0.073948|2.161667|1.965816|1.730810|1.730212|1.643236|1.880460|1.736593|1.552607|3.747152|10.114027|0.060209|0.059572|0.062478|0.080205|0.074184|0.107689|0.103934|0.117071|0.109019|0.077191|0.082557|0.192885|0.208033|0.299995|0.500000| |1.782385|2.736898|0.054575|2.019075|2.276058|3.685878|2.704240|2.312957|3.145658|4.151112|0.122688|4.883578|13.543365|8.942292|17.750288|8.910758|5.618154|4.966308|5.652247|4.090692|4.876284|0.109063|0.094700|2.851200|2.502658|2.104614|1.990143|1.869252|2.531246|2.235925|1.970164|4.514566|7.190058|0.048682|0.045830|0.049685|0.056180|0.050803|0.061713|0.061043|0.085639|0.072368|0.062066|0.064598|0.082067|0.084409|0.119745|0.120950|0.500000| |1.457632|2.194345|0.044050|1.633039|1.813865|2.804259|2.029439|1.791530|2.347698|2.822943|0.080449|3.333601|7.648762|5.654843|9.007414|17.687527|8.855672|5.651085|4.949724|6.978958|7.679192|0.179954|0.132683|4.212534|3.389343|2.740785|2.534244|2.370924|3.397456|2.786538|2.400398|5.805085|4.866995|0.039822|0.038086|0.040622|0.045442|0.041981|0.050030|0.049190|0.061707|0.055117|0.048304|0.049979|0.063478|0.064297|0.087913|0.088794|0.215966|0.500000| |1.484943|2.264626|0.045579|1.763582|2.020101|3.019453|2.045518|1.781394|2.650480|2.970547|0.078412|3.892171|7.470907|5.663356|4.961884|5.648430|8.905944|17.693573|8.970608|6.995269|7.529832|0.132806|0.172028|4.131446|3.457897|2.884985|2.978456|2.743582|2.977864|2.587292|2.201536|6.957188|4.825508|0.039660|0.039479|0.041248|0.048888|0.045953|0.058133|0.054983|0.059429|0.055695|0.046633|0.049416|0.076637|0.073709|0.112636|0.113029|0.107726|0.123842|0.500000| |1.827155|2.866315|0.057367|2.273299|2.716023|4.195400|2.729549|2.282200|3.983439|4.624355|0.114981|7.324371|12.458400|8.859737|5.620970|4.955924|5.639946|8.955763|17.767554|4.105415|4.847409|0.095540|0.106476|2.831910|2.534113|2.171598|2.188934|2.040546|2.345695|2.130851|1.857274|5.003502|7.003057|0.048247|0.048172|0.050675|0.062843|0.058134|0.078860|0.073004|0.079459|0.073376|0.058436|0.063137|0.117887|0.109258|0.222905|0.220373|0.123993|0.107541|0.218461|0.500000| |1.281628|1.922390|0.038857|1.466885|1.638641|2.430505|1.700667|1.512737|2.050588|2.288992|0.062662|2.770043|5.517720|3.961902|4.196425|5.622531|8.831176|7.119653|4.707797|17.635977|12.433195|0.181374|0.221805|6.977310|4.695887|3.850987|3.972052|3.728068|3.760987|3.005839|2.541586|8.393335|3.825487|0.034637|0.034116|0.035578|0.040635|0.038471|0.046408|0.044923|0.049668|0.046688|0.040318|0.041940|0.057775|0.057305|0.077150|0.078870|0.096545|0.142361|0.213798|0.112292|0.500000| |1.274547|1.905005|0.038487|1.433776|1.588813|2.381684|1.698191|1.515859|1.986330|2.260928|0.063162|2.672882|5.550242|3.964258|4.709717|7.068867|8.831990|5.662683|4.200987|17.625343|12.411845|0.219392|0.180296|7.027173|4.565066|3.675644|3.492692|3.315227|4.030178|3.094346|2.636120|7.385350|3.831467|0.034693|0.033742|0.035405|0.039749|0.037431|0.044433|0.043510|0.050228|0.046613|0.040768|0.042074|0.054937|0.055287|0.072744|0.074545|0.111394|0.210818|0.143555|0.097117|0.301644|0.500000| |1.129069|1.667748|0.033583|1.269379|1.390223|2.038789|1.433770|1.303648|1.673553|1.839572|0.050203|2.134300|4.165829|2.802922|2.999493|3.756563|4.685614|4.025605|3.124394|7.184799|12.478621|0.181119|0.218615|17.658938|8.818660|7.264259|7.388569|6.336057|5.496275|4.046575|3.358283|12.670046|3.166819|0.030576|0.030160|0.031521|0.035426|0.033503|0.039420|0.037937|0.041703|0.039158|0.034907|0.036424|0.047329|0.046265|0.060390|0.059492|0.073649|0.104535|0.119151|0.078453|0.220386|0.183469|0.500000| |1.124247|1.654902|0.033270|1.247546|1.357516|2.007125|1.428946|1.304532|1.633729|1.820333|0.050216|2.081196|4.159170|2.782051|3.136891|4.026867|4.563534|3.640648|2.935825|6.724042|12.342586|0.223718|0.181840|17.626074|8.716124|6.533573|5.258961|4.702825|7.060645|4.556675|3.782455|10.362470|3.173999|0.030600|0.029897|0.031441|0.034883|0.032798|0.038164|0.036961|0.041938|0.038948|0.035146|0.036542|0.045673|0.044948|0.058196|0.057156|0.078944|0.121210|0.099934|0.072230|0.166146|0.205461|0.300436|0.500000| |0.992432|1.445070|0.029019|1.093434|1.175819|1.711168|1.213775|1.124998|1.371254|1.491751|0.040806|1.669561|3.219281|2.064202|2.215368|2.606454|2.890150|2.576443|2.192899|3.634795|6.193052|0.117213|0.117823|6.948391|8.853495|17.542609|8.912253|7.260219|6.885580|5.363584|4.920585|10.080595|2.624679|0.026976|0.026566|0.027834|0.030685|0.028994|0.033245|0.031991|0.035231|0.033045|0.030311|0.031616|0.038686|0.037639|0.047347|0.045911|0.057099|0.075330|0.073646|0.056458|0.100617|0.101602|0.182259|0.193745|0.500000| |0.996068|1.446957|0.028942|1.101473|1.181172|1.713578|1.206408|1.122725|1.369416|1.482357|0.040138|1.657363|3.158545|2.008321|2.112008|2.426793|2.698488|2.491194|2.150730|3.232227|5.636679|0.108297|0.116541|5.546392|8.934330|17.540907|8.938332|5.995611|7.080320|6.924132|6.255543|12.337555|2.628360|0.026974|0.026698|0.028048|0.031068|0.029239|0.033587|0.031973|0.034909|0.032663|0.030120|0.031708|0.038956|0.037336|0.047664|0.045304|0.054376|0.068514|0.071975|0.056140|0.089710|0.086174|0.144968|0.137615|0.304589|0.500000| |1.028924|1.505082|0.030223|1.155786|1.252313|1.804129|1.256837|1.159609|1.459319|1.561860|0.042035|1.775610|3.327458|2.137004|2.177781|2.499808|2.938370|2.837568|2.387615|3.575752|5.858323|0.102733|0.128639|5.471286|6.550079|8.626904|17.683221|9.198985|4.419336|4.032352|3.523997|12.389862|2.717916|0.027740|0.027693|0.028842|0.032431|0.030789|0.035879|0.034070|0.036092|0.034198|0.030942|0.032554|0.041890|0.040126|0.051340|0.049410|0.054844|0.068075|0.086751|0.063413|0.108308|0.091029|0.177001|0.123711|0.171717|0.207150|0.500000| |0.956463|1.397172|0.028254|1.066417|1.154326|1.652443|1.161170|1.072109|1.332015|1.413425|0.038492|1.590518|2.971278|1.889238|1.935263|2.211870|2.554813|2.449166|2.086120|3.120212|4.587082|0.081551|0.093620|4.235813|4.217475|5.470570|9.105455|17.724030|3.229647|2.889993|2.686123|7.022766|2.432595|0.025896|0.025822|0.026650|0.029697|0.028540|0.032900|0.031713|0.033231|0.031910|0.028774|0.029869|0.037924|0.037080|0.045196|0.044894|0.049257|0.061071|0.074325|0.055578|0.097229|0.083924|0.144941|0.107481|0.143180|0.129784|0.219922|0.500000| |0.946342|1.379795|0.027883|1.045621|1.127980|1.625546|1.152001|1.065465|1.305471|1.399598|0.038394|1.566237|2.972629|1.894529|1.991047|2.310753|2.610646|2.402465|2.045940|3.269403|4.918099|0.089106|0.095364|4.928068|4.852919|6.893671|9.067488|17.689363|3.789556|3.248373|3.065322|7.133539|2.423908|0.025723|0.025461|0.026390|0.029143|0.027890|0.031942|0.030952|0.033176|0.031637|0.028724|0.029720|0.036867|0.036257|0.044160|0.043868|0.051130|0.065559|0.070636|0.053543|0.097691|0.091846|0.161345|0.134935|0.217293|0.152037|0.173728|0.289430|0.500000| |1.063809|1.548156|0.030912|1.165660|1.249634|1.842191|1.313518|1.219078|1.471753|1.631804|0.044708|1.819039|3.588617|2.306001|2.559699|3.036642|3.193004|2.739093|2.368500|3.848314|7.057560|0.155604|0.129265|6.726939|8.844939|7.040113|4.585827|3.847038|17.557922|8.917523|7.233933|10.098588|2.922560|0.028967|0.028283|0.029985|0.032901|0.030678|0.035155|0.033741|0.038543|0.035472|0.032889|0.034501|0.041278|0.039952|0.051555|0.049008|0.066900|0.090784|0.074750|0.059732|0.096983|0.108731|0.141959|0.204958|0.213027|0.181425|0.110801|0.088272|0.109769|0.500000| |1.173073|1.716789|0.034121|1.297732|1.398806|2.083185|1.476146|1.361285|1.677680|1.888839|0.051348|2.135596|4.278703|2.800945|3.142268|3.782322|3.967564|3.343307|2.869302|4.613042|9.435429|0.242760|0.176698|7.132065|8.801998|5.483679|4.040290|3.337727|17.476296|9.021024|5.947244|12.359941|3.409344|0.031835|0.031056|0.033169|0.036777|0.033941|0.039426|0.037518|0.043579|0.039570|0.036526|0.038706|0.047187|0.045141|0.061090|0.056733|0.080883|0.111502|0.089168|0.071109|0.110086|0.123221|0.142407|0.189609|0.143070|0.141967|0.105201|0.079696|0.090889|0.303186|0.500000| |1.115202|1.618193|0.032016|1.234134|1.317544|1.936208|1.357751|1.268385|1.540787|1.696655|0.045432|1.890971|3.643463|2.299862|2.429887|2.721500|2.898802|2.686472|2.400826|3.173831|5.759675|0.125751|0.125693|4.446194|6.415409|5.088866|3.889879|3.101250|8.628945|17.664219|9.203409|12.056579|3.095523|0.030112|0.029682|0.031719|0.035240|0.032477|0.037487|0.035150|0.039640|0.036200|0.033872|0.036307|0.043956|0.041177|0.055291|0.050189|0.063146|0.076271|0.074527|0.062180|0.082180|0.082249|0.104692|0.111105|0.121782|0.159998|0.108536|0.075753|0.081343|0.172146|0.213390|0.500000| |0.973284|1.401882|0.027922|1.056194|1.118869|1.633360|1.164348|1.095735|1.285709|1.404092|0.038291|1.534489|2.959319|1.842042|1.985370|2.232648|2.315618|2.097524|1.885362|2.615505|4.401938|0.094324|0.087407|3.791037|4.977336|5.110013|3.690537|3.163527|6.880227|9.072002|17.698059|7.272634|2.541421|0.026499|0.025969|0.027545|0.029950|0.027942|0.031546|0.030137|0.033945|0.031360|0.029594|0.031151|0.036211|0.034765|0.043812|0.041253|0.052828|0.065123|0.057963|0.048835|0.068598|0.072504|0.091808|0.106985|0.147493|0.167822|0.093409|0.075237|0.089322|0.215558|0.149200|0.173784|0.500000| 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