Version2.0 2020-08-05T00:22:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)Oc2c(c(nn2C)c3ccccc3)C[NH+](Cc4ccco4)C[C@H](COCC#C)O C36306381 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)Oc2c(c(nn2C)c3ccccc3)C[NH+](Cc4ccco4)C[C@H](COCC#C)O C01[X(C29H32N3O4)] 198 C1 604 C#CCOC[C@@H](C[NH+](Cc1c(nn(c1Oc1cccc(c1)C)C)c1ccccc1)Cc1ccco1)O C#CCOC[C@@H](C[NH+](Cc1c(nn(c1Oc1cccc(c1)C)C)c1ccccc1)Cc1ccco1)O Cn1nc(c2ccccc2)c(C[NH+](C[C@@H](O)COCC#C)Cc3occc3)c1Oc4cccc(C)c4 InChIKey=DOQRPODKQQZTIP-XMMPIXPASA-O InChI=1S/C29H31N3O4/c1-4-15-34-21-24(33)18-32(19-26-14-9-16-35-26)20-27-28(23-11-6-5-7-12-23)30-31(3)29(27)36-25-13-8-10-22(2)17-25/h1,5-14,16-17,24,33H,15,18-21H2,2-3H3/p+1/t24-/m1/s1 InChI=1/C29H31N3O4/c1-4-15-34-21-24(33)18-32(19-26-14-9-16-35-26)20-27-28(23-11-6-5-7-12-23)30-31(3)29(27)36-25-13-8-10-22(2)17-25/h1,5-14,16-17,24,33H,15,18-21H2,2-3H3/p+1/t24-/m1/s1/fC29H32N3O4/h32H/q+1 Cc1cccc(c1)Oc2c(c(nn2C)c3ccccc3)C[NH+](Cc4ccco4)C[C@H](COCC#C)O C01[X(C29H32N3O4)] 198 C01 604 C#CCOC[C@@H](C[NH+](Cc1c(nn(c1Oc1cccc(c1)C)C)c1ccccc1)Cc1ccco1)O C#CCOC[C@@H](C[NH](C[C]1[C]([N][N]([C]1O[C]1[CH][CH][CH][C]([CH]1)C)C)[C]1[CH][CH][CH][CH][CH]1)CC1=[CH][CH]=CO1)O C[C]1[CH][CH][CH][C]([CH]1)O[C]2[C](C[NH](C[C@@H](O)COCC#C)Cc3occc3)[C]([N]N2C)[C]4[CH][CH][CH][CH][CH]4 InChIKey=OGZAODNQVOUIDB-XMMPIXPASA-N InChI=1S/C29H32N3O4/c1-4-15-34-21-24(33)18-32(19-26-14-9-16-35-26)20-27-28(23-11-6-5-7-12-23)30-31(3)29(27)36-25-13-8-10-22(2)17-25/h1,5-14,16-17,24,32-33H,15,18-21H2,2-3H3/t24-/m1/s1 InChI=1/C29H32N3O4/c1-4-15-34-21-24(33)18-32(19-26-14-9-16-35-26)20-27-28(23-11-6-5-7-12-23)30-31(3)29(27)36-25-13-8-10-22(2)17-25/h1,5-14,16-17,24,32-33H,15,18-21H2,2-3H3/t24-/m1/s1 3891.3817774860 -1579.2808096 1-A 18993.7717 129 475 604 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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| 7.6848 18.7144 21.3429 23.1228 28.9757 30.9348 40.3583 46.9392 48.3022 55.4356 61.2401 68.8177 71.6301 72.7016 85.9519 98.9063 100.7868 110.5980 135.9534 151.1357 159.4233 173.3619 188.8900 212.4656 224.5046 239.3544 242.3353 271.5279 281.4782 302.0559 322.0984 332.9131 349.5820 360.2453 375.4634 380.0733 386.8737 429.6840 441.4636 456.1537 457.1250 461.9156 475.4035 494.5699 497.2008 540.1170 555.7408 560.5759 593.9345 609.6576 637.5543 654.7934 655.1980 672.4637 678.4027 705.1758 707.2758 727.8124 760.8083 766.3878 782.0515 807.7954 810.9079 819.9381 846.5375 857.9289 863.9117 877.7236 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159.13 195.61 217.45 229.37 249.43 271.77 305.69 323.01 344.38 348.67 390.67 404.98 434.59 463.43 478.99 502.97 518.31 540.21 546.84 556.62 618.22 635.17 656.30 657.70 664.59 684.00 711.58 715.36 777.11 799.59 806.54 854.54 877.16 917.30 942.10 942.68 967.53 976.07 1014.59 1017.61 1047.16 1094.63 1102.66 1125.20 1162.24 1166.72 1179.71 1217.98 1234.37 1242.98 1262.85 1263.12 1285.55 1299.36 1335.63 1375.71 1389.13 1397.91 1406.93 1408.40 1419.37 1446.08 1458.00 1474.98 1486.47 1494.73 1506.62 1515.91 1522.12 1565.52 1567.16 1584.34 1592.61 1597.05 1598.73 1605.55 1605.88 1620.00 1635.67 1637.97 1649.94 1672.02 1686.56 1691.93 1703.00 1714.47 1736.04 1737.19 1757.66 1774.91 1795.85 1811.46 1815.80 1830.14 1843.78 1859.29 1870.54 1873.72 1920.36 1923.55 1928.49 1948.99 1960.47 1974.92 1996.51 2016.60 2019.93 2023.48 2045.41 2073.55 2091.40 2104.29 2115.06 2127.88 2195.72 2202.55 2216.33 2229.14 2244.96 2255.02 2260.29 2283.25 2288.95 2298.69 2304.37 2313.36 2320.30 2333.92 2343.38 2349.00 2351.64 2354.09 2364.52 2366.23 2370.86 2371.70 2382.30 2392.06 2407.65 2430.62 2432.11 2477.55 2516.17 2562.03 2570.17 2608.96 2612.04 2613.31 3493.80 4586.92 4618.28 4621.68 4640.11 4668.43 4672.91 4686.76 4705.20 4722.07 4727.78 4742.40 4745.58 4799.88 4824.68 4831.50 4841.26 4841.69 4850.45 4851.54 4853.31 4864.18 4866.64 4872.70 4878.39 4890.25 4890.89 4948.76 4975.86 5022.83 5263.78 5266.72 5862.33 0.608927 0.641679 0.642623 0.537254 -1578.671883 -1578.639131 -1578.638187 -1578.743556 3.534094D-04 MUNgauss RevisionA2.0 retrievium 05-Aug-2020 DUDE Cc1cccc(c1)Oc2c(c(nn2C)c3ccccc3)C[NH+](Cc4ccco4)C[C@H](COCC#C)O C36306381 RHF 6-31G(d) (6D,10F) C1 486.239282 |X|Y|Z| 76.750224 106.129527 42.891437 70.430725 26 6 7 8 21 3 2 |36.858105| |12.610191|36.858105| |7.525747|13.693665|36.858105| |5.009317|7.903405|13.767778|36.858105| |4.412348|6.787046|7.898983|13.735769|36.858105| |5.032706|7.931973|6.932641|8.029168|13.785348|36.858105| |7.578313|13.706779|7.970469|6.904480|7.892490|13.793247|36.858105| |3.927266|5.248148|4.610244|5.192066|7.835997|13.736996|8.142048|73.516695| |3.146290|4.016919|3.815347|4.513623|6.687595|8.055382|5.357668|25.345779|36.858105| |2.831320|3.508186|3.417559|4.019244|5.482207|5.910992|4.376896|13.765616|13.837954|36.858105| |2.370457|2.850776|2.840053|3.337557|4.310962|4.357870|3.396799|9.633688|8.681789|13.374438|36.858105| |2.324898|2.792877|2.777372|3.266627|4.243858|4.305099|3.340577|9.777783|8.657454|8.491910|14.637308|53.358707| |2.696664|3.325560|3.237942|3.823931|5.279953|5.700458|4.170153|14.583385|14.376425|8.704579|8.995674|19.362415|53.358707| |2.609605|3.157335|3.063181|3.532876|4.617381|4.963387|3.871705|11.538334|7.605808|5.274496|5.454695|10.740305|17.871193|36.858105| |2.048909|2.395894|2.414384|2.784397|3.371181|3.325836|2.744206|6.843999|5.216325|7.272916|12.841175|10.700730|7.329577|3.953805|36.858105| |1.824237|2.086876|2.080670|2.343972|2.768804|2.785012|2.372840|5.751039|4.147642|5.123761|7.654372|8.645070|6.120124|3.574949|13.688822|36.858105| |1.636830|1.844662|1.850684|2.062076|2.364714|2.353233|2.053747|4.699814|3.221270|3.867370|5.061370|5.980144|4.630743|2.853319|7.909417|13.758689|36.858105| |1.612485|1.815182|1.843526|2.058729|2.322932|2.268611|1.990281|4.402597|2.966420|3.609477|4.462850|5.128036|4.128130|2.551880|6.839953|7.931098|13.743847|36.858105| |1.759639|2.005610|2.061885|2.336284|2.643210|2.530736|2.192065|4.833050|3.288220|4.161067|5.046191|5.471555|4.442445|2.678172|7.901765|6.873786|7.944410|13.749718|36.858105| |1.999522|2.329625|2.396273|2.773879|3.250004|3.094625|2.594479|6.002298|4.295349|5.878231|7.609675|7.292248|5.705763|3.247731|13.686818|7.939205|6.881874|7.937315|13.752853|36.858105| |2.960680|3.609001|3.486467|3.946260|4.985508|5.395441|4.370300|10.849381|7.456866|12.800717|7.195389|7.017964|7.144559|3.806964|5.739489|4.275905|3.505272|3.449017|4.083104|5.485425|36.858105| |2.874780|3.328310|3.060755|3.251759|3.901201|4.522727|4.051308|9.404177|5.753982|7.593479|5.339442|5.728409|5.914245|3.364427|4.597283|3.838230|3.233724|3.113454|3.471956|4.258103|12.537803|53.358707| |3.102608|3.594867|3.187700|3.331646|4.059897|5.040976|4.589396|11.209597|6.378122|7.298331|5.081002|5.812949|6.367160|3.668158|4.148884|3.567683|2.975764|2.803481|3.054606|3.707296|9.222883|25.631676|0.500000| |2.353714|2.652398|2.484298|2.646871|3.113331|3.470891|3.130017|7.293560|4.693503|6.155305|5.273768|5.626012|5.389101|3.120311|5.056323|4.524914|3.833412|3.585924|3.825041|4.513085|7.617124|17.163834|0.257656|36.858105| |2.220536|2.426234|2.230046|2.314830|2.665288|3.023783|2.845717|6.336268|3.837700|4.452345|3.991852|4.663522|4.592709|2.816571|3.821154|3.701915|3.252905|2.990481|3.046627|3.406724|4.995947|10.360916|0.205261|12.826907|36.858105| |2.106565|2.281457|2.084331|2.154861|2.481783|2.837223|2.686407|6.060875|3.630626|3.947718|3.691298|4.565859|4.538657|2.877010|3.477895|3.527218|3.083921|2.747334|2.719645|3.009594|4.042072|7.407734|0.162737|7.381136|14.200412|36.858105| |1.960281|2.068629|1.884621|1.914885|2.151109|2.438306|2.380371|5.014256|2.901123|3.082882|2.892335|3.647513|3.659368|2.403505|2.778982|2.832568|2.582153|2.353893|2.319632|2.496287|3.225415|5.712519|0.123602|5.158338|8.577230|13.256208|36.858105| |1.978171|2.073118|1.894319|1.913069|2.122743|2.385237|2.352022|4.775237|2.745012|2.983147|2.748737|3.390229|3.393388|2.208729|2.681587|2.675759|2.484126|2.330506|2.330839|2.487212|3.283920|5.971818|0.123555|5.342712|8.781737|8.610425|14.225598|36.858105| |2.126431|2.267376|2.083079|2.123819|2.377180|2.665314|2.588823|5.340076|3.122006|3.539786|3.183183|3.784787|3.758091|2.373345|3.118839|3.027074|2.782444|2.643105|2.698773|2.920746|4.110260|8.085734|0.156689|7.836448|14.101407|8.623684|8.618679|14.164939|73.516695| |2.974472|3.315504|3.029145|3.089443|3.481510|3.951686|3.828872|7.438989|4.191215|4.996403|3.847089|4.354559|4.521337|2.732627|3.517606|3.034189|2.698112|2.685123|2.996806|3.480755|7.615725|17.288920|0.261435|7.610806|6.093256|4.451247|3.846509|4.354686|10.578197|36.858105| |3.785968|4.150203|3.588671|3.471334|3.808076|4.522640|4.791837|7.984976|4.079709|4.395457|3.357639|3.995675|4.348208|2.715604|2.965864|2.579222|2.293876|2.272376|2.519209|2.913951|5.976676|10.459028|0.215808|5.036955|4.528591|3.716304|3.344375|3.665856|7.956506|12.503991|36.858105| |4.396290|5.102286|4.427056|4.264309|4.637248|5.473894|5.824860|8.895742|4.427311|4.694276|3.494440|4.166997|4.607495|2.864397|3.028615|2.576728|2.279858|2.275529|2.564647|3.012658|6.408942|9.230074|0.188062|4.458680|3.847827|3.252308|2.894119|3.085349|6.542636|8.790203|17.556202|0.500000| |3.554762|3.601146|3.162148|2.959021|3.072114|3.481784|3.824680|5.978106|3.085045|3.271432|2.666114|3.240848|3.468345|2.241826|2.443250|2.178350|1.991130|1.995663|2.189888|2.447447|4.154088|6.762449|0.136406|3.853592|3.687677|3.117568|2.981093|3.369516|7.005217|7.547813|12.527554|0.249586|36.858105| |4.347548|4.087885|3.436759|3.055194|3.079327|3.534206|4.163677|5.861437|2.908141|2.944296|2.422566|3.026547|3.303289|2.191322|2.190665|1.966032|1.794232|1.787667|1.948771|2.175416|3.524646|5.422452|0.115109|3.166171|3.084095|2.739670|2.644836|2.888693|5.711301|5.162083|8.229161|0.207879|13.670983|73.516695| |3.742375|3.362187|2.924320|2.593429|2.557660|2.842797|3.294231|4.735138|2.395201|2.423783|2.060248|2.600644|2.802824|1.891864|1.899100|1.729546|1.601904|1.603663|1.733793|1.899469|2.824105|4.263318|0.089152|2.635504|2.617151|2.367250|2.347655|2.577301|4.952031|3.913102|5.244416|0.136149|8.070841|24.100234|36.858105| |4.185182|3.473263|2.969489|2.554742|2.471764|2.747044|3.281508|4.509777|2.244422|2.212809|1.900232|2.443714|2.660734|1.833515|1.739526|1.592538|1.473188|1.467528|1.578300|1.728108|2.489967|3.662236|0.077989|2.292791|2.285940|2.124081|2.107141|2.253989|4.235589|3.160685|4.109481|0.112227|5.254565|14.461836|12.994836|36.858105| |4.266152|3.371036|2.883713|2.448861|2.341738|2.586681|3.114023|4.225857|2.093850|2.034359|1.766473|2.301101|2.515288|1.760965|1.614607|1.485782|1.375652|1.366578|1.463236|1.598187|2.236183|3.236259|0.069344|2.053490|2.052075|1.938581|1.924651|2.026962|3.759717|2.697152|3.392820|0.094494|4.015979|9.965752|7.185405|16.069399|36.858105| |3.902186|4.205052|3.454922|3.307560|3.722101|4.735406|5.210465|8.945206|4.324533|4.347618|3.345098|4.116979|4.618414|2.936807|2.876837|2.557964|2.244343|2.167777|2.347980|2.715375|5.271297|9.675551|0.249960|4.953557|4.863149|4.226363|3.792555|3.992874|8.248438|8.198129|13.614425|0.259077|7.929238|12.518212|4.754665|4.016714|3.418189|73.516695| |17.561906|8.852001|5.777998|4.261730|3.959159|4.653885|6.884068|6.805196|3.038631|2.685049|2.277417|3.088930|3.610813|2.630098|1.964125|1.769924|1.585748|1.548426|1.671849|1.892449|2.743721|3.691946|0.082644|2.260420|2.170798|2.096482|1.961999|1.957429|3.685831|2.758362|3.443518|0.106494|3.226802|6.953352|3.433529|3.912629|4.115975|6.625676|0.500000| |17.547161|8.848680|5.978662|4.340799|3.961512|4.565919|6.592681|6.614852|3.033383|2.806489|2.333379|3.063466|3.501884|2.443328|2.037926|1.817562|1.638387|1.619408|1.767501|1.999318|3.033781|4.124010|0.090554|2.457474|2.334679|2.191241|2.057779|2.105219|4.036485|3.257470|4.341461|0.139158|4.252262|9.984635|4.746624|5.460356|5.421568|7.840492|0.301939|0.500000| |17.595051|8.847642|7.217420|4.741300|3.950426|4.186008|5.590011|5.907497|2.765895|2.526769|2.160125|2.890041|3.298869|2.364264|1.894882|1.693435|1.533549|1.520642|1.659949|1.868869|2.634961|3.442981|0.074389|2.111966|1.990193|1.889268|1.769259|1.790638|3.410769|2.627643|3.238094|0.103451|3.130584|6.684991|3.405281|3.865457|4.058227|5.766530|0.301816|0.301844|0.500000| |6.964502|8.906319|17.725760|8.941058|5.636836|4.983622|5.657347|6.504423|3.149753|2.896907|2.476539|3.297481|3.748509|2.639243|2.159613|1.883033|1.698564|1.704071|1.899333|2.169198|2.983875|3.627677|0.076184|2.212253|2.006304|1.879384|1.721393|1.739349|3.377286|2.691577|3.155750|0.105449|2.905470|5.675914|2.817254|2.915001|2.879378|5.344339|0.148185|0.155999|0.220508|0.500000| |4.085843|5.633979|8.932916|17.724330|8.948755|5.690423|4.968918|7.442072|3.890312|3.599033|3.123293|4.165414|4.695268|3.216272|2.681177|2.262515|2.015675|2.035927|2.323490|2.727983|3.526519|3.940988|0.080780|2.423689|2.118189|1.972960|1.762637|1.765091|3.475468|2.766553|3.016127|0.100445|2.638139|4.786609|2.342324|2.304995|2.219641|5.044601|0.098486|0.100666|0.112811|0.216074|0.500000| |3.533625|4.909244|5.627851|8.887837|17.741954|8.873045|5.619772|12.521254|7.297273|6.129613|5.063450|6.867207|8.360981|5.141084|3.869384|3.096313|2.610710|2.564258|2.952312|3.720156|5.125404|5.212164|0.108047|3.158810|2.657174|2.477567|2.125218|2.085454|4.163158|3.310642|3.429486|0.112078|2.784507|4.841917|2.297393|2.200923|2.084084|5.926499|0.090248|0.090223|0.090054|0.124073|0.215286|0.500000| |6.977419|8.852964|5.642602|4.969667|5.648835|8.991369|17.725626|13.483192|5.002887|4.113531|3.230139|4.342831|5.394798|3.733080|2.630387|2.319379|2.009229|1.928445|2.093868|2.452932|4.128120|5.611992|0.135755|3.210746|3.019887|2.896031|2.584810|2.534724|4.894486|3.913843|5.017801|0.157560|4.005266|7.917483|3.483298|3.496704|3.317007|10.822958|0.197997|0.182065|0.140362|0.123830|0.107818|0.124264|0.500000| |2.347001|2.750520|2.639202|2.956271|3.691795|4.015135|3.319952|9.216177|5.962403|4.573075|4.945601|9.649943|12.505563|17.637465|3.779307|3.612656|2.886934|2.522683|2.576380|3.053242|3.417270|4.289970|0.095650|3.040591|2.821706|2.971209|2.480762|2.236764|4.206173|2.566332|2.518675|0.072203|2.104917|3.645644|1.786807|1.731256|1.665213|4.896096|0.066346|0.061741|0.059289|0.064297|0.075608|0.111351|0.091788|0.500000| |2.944853|3.597061|3.395214|3.831846|5.017292|5.754638|4.539905|13.401513|7.238928|4.825462|4.555646|7.876991|12.534323|17.669410|3.399699|3.067600|2.513328|2.287417|2.414048|2.892530|3.680741|4.524966|0.103157|2.991814|2.746861|2.807558|2.380261|2.195422|4.168774|2.756083|2.831782|0.083558|2.337271|4.137822|2.000228|1.960568|1.894076|5.556918|0.083763|0.075402|0.073169|0.080154|0.094161|0.145030|0.122608|0.299502|0.500000| |2.465211|2.978281|2.992775|3.525678|4.486630|4.441083|3.500500|9.263105|6.012720|4.582772|4.927769|9.523653|12.482133|17.632682|3.758170|3.395722|2.766599|2.507368|2.642614|3.174347|3.421951|4.037111|0.087428|2.767427|2.485822|2.510262|2.134256|1.985501|3.791540|2.470314|2.454830|0.072594|2.062655|3.595249|1.765213|1.718007|1.657910|4.607843|0.068538|0.063649|0.063150|0.072550|0.091932|0.144692|0.091454|0.300004|0.299222|0.500000| |1.815831|2.068665|2.038381|2.277454|2.703698|2.776124|2.375374|5.875382|4.218761|4.885578|7.103295|9.243024|6.523645|3.900271|8.919832|17.731360|8.913502|5.642625|4.953632|5.649070|3.947374|5.013691|0.098744|4.344348|3.744859|3.754554|2.976788|2.726965|5.356576|2.894862|2.505728|0.069072|2.115410|3.429075|1.697881|1.574363|1.475306|4.537260|0.049432|0.050088|0.046644|0.051126|0.060551|0.083193|0.065283|0.114221|0.091494|0.100803|0.500000| |1.520702|1.695682|1.692668|1.865629|2.118587|2.124901|1.880414|4.238697|2.839018|3.279976|4.123117|5.156658|4.120478|2.626830|5.636347|8.932429|17.725171|8.912633|5.648279|4.957251|2.994522|3.883552|0.074240|3.391859|3.024836|2.953528|2.519794|2.398368|4.661936|2.423903|2.086755|0.057203|1.835110|2.959789|1.499027|1.385070|1.298408|3.671443|0.041179|0.042288|0.039662|0.043383|0.050650|0.064254|0.051517|0.075286|0.064654|0.070781|0.215280|0.500000| |1.486484|1.655546|1.683028|1.861290|2.065853|2.016851|1.795827|3.866725|2.542078|3.007976|3.565245|4.245011|3.528809|2.238653|4.935499|5.643468|8.910721|17.726080|8.913942|5.645804|2.932940|3.688284|0.068304|3.098487|2.672347|2.475428|2.173640|2.166671|4.309027|2.407516|2.058383|0.057051|1.841609|2.943514|1.501713|1.376835|1.285006|3.487961|0.039704|0.041546|0.039153|0.043596|0.051396|0.062677|0.048476|0.061781|0.056362|0.061424|0.124103|0.214808|0.500000| |1.707149|1.934064|2.007574|2.265362|2.505685|2.370081|2.079072|4.415633|2.921547|3.608526|4.109125|4.601045|3.891327|2.395290|5.632089|4.952983|5.647375|8.911830|17.722449|8.925521|3.686851|4.293617|0.077057|3.377531|2.741137|2.437360|2.124235|2.164799|4.441216|2.837459|2.410088|0.068538|2.134090|3.377942|1.704946|1.550135|1.436753|3.933680|0.044816|0.047750|0.045072|0.051890|0.063327|0.077061|0.054907|0.063637|0.060891|0.066188|0.107547|0.124137|0.214803|0.500000| |2.158416|2.550378|2.671231|3.152996|3.688321|3.396829|2.814186|6.361068|4.493000|6.203810|7.012650|6.840434|5.705234|3.240391|8.888875|5.641153|4.956619|5.651339|8.938323|17.704242|6.135149|5.977363|0.105269|4.295525|3.232405|2.825404|2.371881|2.391503|5.014476|3.677612|3.123924|0.092190|2.608986|4.123481|2.012523|1.827485|1.685869|5.047735|0.056047|0.059873|0.056162|0.066946|0.086881|0.118824|0.072484|0.082385|0.081591|0.088701|0.124091|0.107600|0.124292|0.216063|0.500000| |2.616734|3.112479|3.096684|3.509592|4.209976|4.266863|3.580042|8.183674|5.577814|8.901501|6.701042|6.368008|6.016592|3.319076|6.315889|4.559482|3.859670|3.972839|4.967865|6.829620|17.654766|12.419543|0.181854|7.282708|4.678908|3.729268|3.036738|3.150243|7.076290|6.798932|5.043613|0.147001|3.808600|5.665750|2.630833|2.306138|2.072245|7.639812|0.067244|0.074688|0.066083|0.075642|0.090577|0.123730|0.093794|0.084199|0.087611|0.085379|0.111041|0.089504|0.092801|0.125329|0.221919|0.500000| |3.444001|4.345527|4.222055|4.789960|6.017534|6.452661|5.229663|11.394656|6.827588|8.942841|5.561875|5.998121|6.464930|3.619139|4.519823|3.503930|2.969495|2.971423|3.512345|4.515736|17.661097|12.381301|0.215791|5.615233|4.156704|3.466470|2.888124|2.972247|6.448040|7.479621|6.914998|0.239095|4.656266|7.127234|3.130713|2.756509|2.460962|10.059938|0.086217|0.098450|0.084438|0.098229|0.115469|0.161168|0.130992|0.088526|0.100561|0.091752|0.091028|0.071763|0.071832|0.091370|0.146228|0.302293|0.500000| |2.265776|2.586325|2.451265|2.665005|3.199271|3.523294|3.072795|7.663175|5.308185|7.291753|6.874662|6.992586|6.334262|3.536681|6.590259|5.912874|4.633242|4.110572|4.309987|5.283862|7.481766|12.391015|0.215175|17.694924|9.057845|6.911162|4.666602|4.479829|10.287489|5.616487|4.187231|0.108554|3.262496|4.961617|2.351917|2.092792|1.901859|7.517473|0.060809|0.064562|0.056710|0.060423|0.068173|0.092705|0.086603|0.096681|0.091336|0.086403|0.159201|0.111353|0.095503|0.101248|0.132642|0.198618|0.147754|0.500000| |2.197752|2.456797|2.344420|2.500658|2.873398|3.093271|2.813003|6.204599|3.962063|5.209580|4.691926|4.981485|4.661062|2.749637|4.918435|4.405915|3.953009|3.878747|4.204553|4.765063|6.748084|12.373152|0.181895|17.617381|8.918208|5.675145|4.456873|4.902076|12.904370|7.238796|4.635849|0.115446|3.745149|5.373349|2.563751|2.208558|1.971802|7.556988|0.058133|0.063984|0.055490|0.058744|0.064635|0.081517|0.078842|0.074166|0.073013|0.069439|0.112204|0.096254|0.093826|0.104761|0.125795|0.210106|0.144151|0.301566|0.500000| |2.089598|2.285928|2.094945|2.187419|2.552812|2.924027|2.718805|6.431483|3.936235|4.160668|4.025493|5.145368|5.097115|3.245115|3.705259|3.846604|3.260781|2.816702|2.755968|3.083526|3.967346|6.769559|0.152671|6.389622|8.822103|17.788041|8.456504|5.859275|10.442389|3.907794|3.377517|0.084858|2.811240|4.499994|2.190509|2.000445|1.846999|6.876479|0.058164|0.059524|0.052073|0.052246|0.055634|0.071533|0.081219|0.095491|0.086787|0.077366|0.119014|0.087314|0.069873|0.067714|0.079493|0.100407|0.094016|0.191061|0.136843|0.500000| |1.840739|1.923651|1.753106|1.773417|1.977973|2.233279|2.196553|4.563004|2.615138|2.713177|2.585977|3.341928|3.366941|2.267688|2.484742|2.565793|2.360323|2.144323|2.093772|2.233331|2.774486|4.692386|0.102328|4.047020|5.846289|8.453394|17.813908|8.827683|10.444745|3.195401|2.888640|0.070724|2.629234|4.257870|2.162694|1.975025|1.825363|5.846949|0.051654|0.053403|0.046359|0.044719|0.045499|0.054268|0.066455|0.065784|0.062607|0.056155|0.075787|0.064945|0.055511|0.053485|0.058958|0.072697|0.070114|0.105991|0.099526|0.193434|0.500000| |1.877824|1.939506|1.777102|1.779367|1.944502|2.164347|2.162446|4.239124|2.410014|2.598075|2.403398|2.985637|2.993800|1.974235|2.364120|2.356208|2.226898|2.121060|2.123828|2.235334|2.874415|5.038042|0.103137|4.273583|6.036176|5.820688|8.619341|17.839220|16.499730|3.873537|3.365904|0.079013|3.258244|4.997079|2.577344|2.246389|2.017712|6.375262|0.051598|0.055836|0.047546|0.045748|0.045832|0.052859|0.064554|0.055356|0.054766|0.049816|0.066189|0.060056|0.055496|0.055551|0.060164|0.077545|0.073906|0.101266|0.114365|0.123184|0.195202|0.500000| |2.668008|2.880453|2.623470|2.645413|2.939136|3.322851|3.281387|6.348083|3.581527|4.152000|3.398226|3.929663|4.029324|2.491659|3.200045|2.872488|2.600692|2.570547|2.791825|3.137571|5.628196|12.398319|0.212838|7.555695|7.150883|4.968365|4.488700|5.481787|14.456024|17.682143|8.902983|0.173728|7.046639|8.581933|3.841577|3.075286|2.621048|12.920252|0.069967|0.081391|0.066005|0.065798|0.066581|0.078259|0.095445|0.066308|0.069655|0.062592|0.076953|0.065949|0.064835|0.073465|0.089397|0.147080|0.147430|0.148524|0.204637|0.114585|0.100753|0.135388|0.500000| |2.794893|3.126313|2.965105|3.067873|3.387657|3.647174|3.476843|6.627469|3.838154|4.714566|3.746303|4.174867|4.228272|2.557043|3.563956|3.027313|2.746944|2.818412|3.229084|3.715832|7.399763|12.339829|0.183553|6.518377|5.007542|3.763098|3.306429|3.744813|8.873436|17.611767|8.738107|0.212463|6.628790|8.219570|3.669054|2.964619|2.540690|10.305581|0.071056|0.084469|0.070026|0.074171|0.077918|0.090914|0.095321|0.066396|0.070844|0.065459|0.078260|0.067888|0.070423|0.086736|0.111853|0.212935|0.207683|0.141281|0.198232|0.093616|0.077762|0.095114|0.300552|0.500000| |3.055027|3.058496|2.704781|2.561480|2.683558|3.035372|3.282235|5.388692|2.828805|3.009717|2.513272|3.067255|3.245205|2.111702|2.338298|2.125216|1.958341|1.953145|2.111345|2.325558|3.733302|6.359304|0.128789|3.872442|3.919842|3.307100|3.277021|3.845670|7.910055|6.949887|8.842008|0.174629|17.512533|16.529736|7.242059|4.809737|3.737854|12.633033|0.079347|0.099288|0.075559|0.069585|0.064189|0.068773|0.097340|0.055878|0.060798|0.053838|0.057641|0.050560|0.050360|0.057002|0.067615|0.096692|0.110203|0.089651|0.105049|0.080860|0.079850|0.105876|0.214038|0.165294|0.500000| |3.291908|3.364196|3.082403|2.913871|2.965071|3.224301|3.453648|5.439838|2.876070|3.110237|2.572477|3.102200|3.268821|2.108794|2.403619|2.131558|1.972150|2.009389|2.228904|2.467983|3.997454|6.133583|0.117765|3.592640|3.336177|2.806302|2.678336|3.034654|6.347672|6.761774|8.810478|0.215912|17.506930|16.478982|7.131914|4.750952|3.699101|10.129147|0.081711|0.107615|0.082965|0.080066|0.073547|0.075463|0.096680|0.054850|0.060482|0.054595|0.056790|0.050314|0.051764|0.061217|0.073945|0.106259|0.125746|0.085317|0.100963|0.070780|0.065944|0.082327|0.171410|0.192937|0.299401|0.500000| |3.175185|2.905096|2.548558|2.308510|2.313346|2.575405|2.921342|4.408188|2.259462|2.300197|1.978371|2.498309|2.670699|1.805747|1.840356|1.695319|1.578194|1.574979|1.687044|1.832793|2.665494|4.129027|0.086360|2.624927|2.679420|2.433557|2.471228|2.756532|5.207971|3.792235|4.798213|0.118262|7.275316|16.518601|17.542079|9.082535|5.992642|8.048002|0.083349|0.107283|0.080551|0.067977|0.058341|0.058555|0.086970|0.047861|0.052748|0.046673|0.046383|0.041250|0.041121|0.045992|0.053353|0.069486|0.079951|0.064597|0.071095|0.061817|0.063409|0.078087|0.108497|0.097659|0.218876|0.174722|0.500000| |3.447750|3.156261|2.848864|2.545884|2.474117|2.674667|3.029302|4.413210|2.270281|2.328499|1.994684|2.503733|2.670256|1.796416|1.860263|1.689019|1.576771|1.594978|1.734608|1.887947|2.734569|4.031723|0.082184|2.513871|2.453279|2.200337|2.172414|2.395622|4.648541|3.723205|4.745504|0.127679|7.200052|16.528771|17.546026|9.078474|5.986971|7.223446|0.086245|0.118375|0.089904|0.077511|0.064839|0.062195|0.086246|0.047023|0.052342|0.046974|0.045695|0.040907|0.041650|0.047830|0.055925|0.072194|0.084608|0.062494|0.069251|0.056667|0.055540|0.066786|0.100535|0.101438|0.175448|0.212196|0.301153|0.500000| 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