Version2.4 2021-06-07T07:20:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccn4CCN5CCOCC5)C(=O)[O-] C44324706 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccn4CCN5CCOCC5)C(=O)[O-] C01[X(C28H30N3O5)] 192 C1 600 O=C(N[C@@H](C(=O)[O-])Cc1cccn1CCN1CCOCC1)OCC1c2ccccc2-c2c1cccc2 O=C(N[C@@H](C(=O)[O-])Cc1cccn1CCN1CCOCC1)OCC1c2ccccc2-c2c1cccc2 [O-]C(=O)[C@@H](Cc1cccn1CCN2CCOCC2)NC(=O)OCC3c4ccccc4c5ccccc35 InChIKey=ZUNJYUBFYYPHOH-AREMUKBSSA-M InChI=1S/C28H31N3O5/c32-27(33)26(18-20-6-5-11-31(20)13-12-30-14-16-35-17-15-30)29-28(34)36-19-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25/h1-11,25-26H,12-19H2,(H,29,34)(H,32,33)/p-1/t26-/m1/s1 InChI=1/C28H31N3O5/c32-27(33)26(18-20-6-5-11-31(20)13-12-30-14-16-35-17-15-30)29-28(34)36-19-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25/h1-11,25-26H,12-19H2,(H,29,34)(H,32,33)/p-1/t26-/m1/s1/fC28H30N3O5/h29H/q-1 c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccn4CCN5CCOCC5)C(=O)[O-] C01[X(C28H30N3O5)] 192 C01 600 O=C(N[C@@H](C(=O)[O-])Cc1cccn1CCN1CCOCC1)OCC1c2ccccc2-c2c1cccc2 [O][C]([O])[C@@H](CC1=[CH][CH]=CN1CCN1CCOCC1)[NH][C](=O)OC[C@@H]1[C]2[CH][CH][CH][CH][C]2[C]2[C]1[CH][CH][CH][CH]2 [O][C]([O])[C@@H](Cc1cccn1CCN2CCOCC2)NC(=O)OCC3[C]4[CH][CH][CH][CH][C]4[C]5[CH][CH][CH][CH][C]35 InChIKey=SRHSIKFCAFOLLN-AREMUKBSSA-N InChI=1S/C28H30N3O5/c32-27(33)26(18-20-6-5-11-31(20)13-12-30-14-16-35-17-15-30)29-28(34)36-19-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25/h1-11,25-26H,12-19H2,(H,29,34)/t26-/m1/s1 InChI=1/C28H30N3O5/c32-27(33)26(18-20-6-5-11-31(20)13-12-30-14-16-35-17-15-30)29-28(34)36-19-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25/h1-11,25-26H,12-19H2,(H,29,34)/t26-/m1/s1/f/h29H 3716.2143720083 -1615.5158598 1-A 26634.4969 130 470 600 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0.4739 0.8422 0.3559 0.8501 0.8567 0.5744 0.6454 0.7443 0.8293 0.6497 0.6166 0.7604 0.6046 0.4527 0.7994 0.4098 0.8437 0.3970 0.8262 0.8430 0.6255 0.8558 0.8032 0.6247 0.5897 0.4716 0.5060 0.8119 0.8189 0.7444 0.5333 0.8258 0.5382 0.7205 0.8185 0.7271 0.6007 0.7797 0.3984 0.6326 0.3832 0.2578 0.4140 0.3068 0.4825 0.5863 0.6046 0.2596 0.2272 0.1720 0.5473 0.7621 0.5313 0.2269 0.5299 0.8394 0.4955 0.6256 0.7814 0.8536 0.5672 0.8313 0.2069 0.3770 0.8382 0.5020 0.3892 0.2104 0.2251 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 6 8 7 6 1 6 6 6 6 6 7 6 6 7 6 6 8 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 15.99491 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 1.00783 1.00783 1.00783 1.00783 8654.5215 41049.1989 46835.5550 1.00000 0.00219 -0.00085 -0.00219 0.99998 -0.00667 0.00083 0.00667 0.99998 1 0.01001 0.00211 0.00185 0.20853 0.04397 0.03853 15.56 17.43 26.19 44.70 53.49 57.68 71.13 82.95 90.33 117.50 124.71 133.40 144.59 157.00 175.75 190.85 197.92 241.28 263.50 287.54 317.54 351.45 383.36 396.74 408.35 441.15 471.48 482.40 500.40 519.84 542.16 595.71 601.04 641.68 647.00 662.61 681.46 687.44 694.03 718.70 736.05 771.95 793.83 851.90 899.52 911.91 942.43 966.97 978.09 981.69 1004.64 1020.48 1025.45 1052.66 1121.89 1143.47 1155.45 1164.67 1183.39 1194.40 1199.02 1219.21 1226.08 1244.54 1257.99 1268.80 1271.04 1295.05 1298.54 1357.03 1363.30 1379.51 1387.73 1401.49 1415.35 1420.28 1443.84 1446.50 1515.06 1527.21 1551.81 1571.57 1579.73 1585.90 1586.29 1590.56 1605.96 1620.56 1630.56 1633.98 1644.54 1649.08 1658.22 1671.51 1688.18 1716.08 1724.59 1730.53 1734.78 1740.33 1767.75 1780.69 1794.77 1826.04 1837.64 1844.18 1853.05 1857.12 1869.82 1872.72 1889.17 1907.82 1923.11 1945.11 1961.30 1972.59 1973.73 1996.18 2009.55 2021.50 2026.03 2042.71 2051.98 2069.65 2076.65 2078.18 2102.38 2116.26 2127.55 2136.33 2148.78 2175.08 2193.03 2213.99 2223.13 2230.40 2233.97 2264.92 2298.53 2300.19 2307.56 2315.89 2324.98 2352.61 2359.94 2369.57 2373.01 2377.75 2378.09 2386.23 2391.18 2398.16 2401.07 2414.11 2458.86 2522.12 2550.17 2564.77 2602.72 2605.92 2713.35 2838.53 4468.03 4482.66 4535.32 4568.66 4601.30 4616.23 4636.73 4655.24 4656.81 4658.87 4674.76 4685.71 4726.42 4735.98 4763.01 4766.84 4807.98 4809.98 4810.23 4811.91 4824.50 4838.82 4843.42 4858.84 4877.18 4887.82 4913.15 4921.53 4936.57 5502.60 0.587267 0.616546 0.617490 0.521320 -1614.928593 -1614.899314 -1614.898370 -1614.994539 3.225524D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](Cc4cccn4CCN5CCOCC5)C(=O)[O-] C44324706 RHF 6-31G(d) (6D,10F) C1 488.218546 |X|Y|Z| 146.801762 64.075004 31.274765 66.507607 32 6 7 8 27 3 2 |36.858105| |13.725182|36.858105| |7.885913|13.709788|36.858105| |6.886801|7.985108|13.770568|36.858105| |7.990181|6.910417|7.899786|13.645833|36.858105| |13.736156|7.905964|6.790495|7.876703|13.755927|36.858105| |5.001559|4.523867|5.225310|8.172337|12.928932|7.337306|36.858105| |4.098294|3.575482|3.847551|5.164575|7.322195|5.803023|13.755660|36.858105| |3.176467|2.898588|3.163534|4.076378|4.992808|4.097232|7.973788|13.727726|36.858105| |2.897828|2.767612|3.137280|4.062073|4.515704|3.573533|6.889383|7.905163|13.738048|36.858105| |3.167721|3.141999|3.758884|5.114835|5.231128|3.853034|7.907993|6.814521|7.907438|13.703345|36.858105| |4.080664|4.067926|5.111391|8.065197|8.178460|5.169409|13.642394|7.890394|6.887256|7.967818|13.795043|36.858105| |4.458519|4.947261|7.256469|12.518776|7.947111|5.129702|7.945965|5.133294|4.460113|4.946052|7.271358|12.538846|36.858105| |3.699136|4.192184|5.825069|7.440170|5.399961|4.014130|5.416465|4.031204|3.721168|4.227040|5.907632|7.520632|12.443487|36.858105| |3.520309|4.256840|6.029548|6.279568|4.429572|3.558733|4.108342|3.205784|2.957725|3.264475|4.230495|5.091200|7.995103|13.517736|73.516695| |3.351944|4.087693|5.345833|5.043652|3.818472|3.265003|3.459159|2.804730|2.582056|2.774538|3.401451|3.975678|5.447083|8.017284|25.143773|36.858105| |3.236432|3.784045|4.644601|4.546317|3.673225|3.193955|3.383299|2.800326|2.586336|2.753639|3.300147|3.792232|4.796327|7.055844|15.150870|15.927130|73.516695| |3.098907|3.864600|4.830614|4.221232|3.271188|2.912444|2.925035|2.425640|2.239526|2.381289|2.847779|3.268519|4.330320|5.414776|15.384247|14.153400|14.855456|53.358707| |2.943089|3.644672|4.166729|3.529324|2.879360|2.685261|2.545332|2.162981|1.989217|2.072173|2.400709|2.728936|3.414277|4.013549|9.549004|7.794864|11.741127|17.812781|36.858105| |2.984438|3.617073|4.040875|3.493396|2.912050|2.736307|2.577946|2.203096|2.021029|2.091473|2.403669|2.731494|3.346235|4.006626|8.971260|7.636736|13.790280|12.595620|17.652446|0.500000| |2.383518|2.836723|3.152413|2.782948|2.349830|2.208013|2.138085|1.860679|1.743044|1.825480|2.085261|2.297941|2.771886|3.211767|7.280967|5.300393|8.480897|10.452496|12.304476|0.244554|36.858105| |2.132721|2.459106|2.704534|2.477730|2.143560|2.013323|1.992220|1.759415|1.667779|1.752156|1.981760|2.142784|2.512485|2.968467|6.409339|4.642025|8.177850|7.736715|7.409500|0.201968|12.690120|36.858105| |1.945409|2.204651|2.446388|2.310559|2.015817|1.872698|1.915775|1.705601|1.640640|1.743574|1.970093|2.087582|2.412840|2.888653|6.109871|4.243695|7.570211|6.582019|5.299744|0.145507|7.332399|13.983445|36.858105| |1.792947|1.993724|2.170506|2.072761|1.848814|1.734645|1.770345|1.598625|1.544816|1.631839|1.815781|1.906551|2.149197|2.544747|5.140929|3.490508|6.561276|5.079773|4.118254|0.120607|5.108042|8.465345|13.371561|36.858105| |1.847295|2.054334|2.196497|2.067725|1.856131|1.766511|1.754612|1.586297|1.518193|1.583907|1.751398|1.859689|2.092876|2.443361|4.903191|3.374280|6.459876|4.929814|4.279473|0.131312|5.206049|8.552732|8.538806|14.047671|36.858105| |2.051746|2.327927|2.489319|2.285299|2.021356|1.930281|1.876175|1.676055|1.585536|1.647386|1.836267|1.982558|2.275644|2.647127|5.469959|3.886878|7.267405|6.000477|5.789743|0.179453|7.584222|13.897554|8.623415|8.597305|13.934121|53.358707| |2.121582|2.406650|2.497336|2.249014|2.010338|1.960131|1.837539|1.646636|1.541825|1.580157|1.746553|1.904531|2.174582|2.460960|5.009139|3.496699|6.525553|5.368250|5.413322|0.172096|6.279916|7.553789|5.263062|5.273026|7.636624|17.853045|36.858105| |1.883533|2.115478|2.166455|1.955889|1.767528|1.738141|1.623420|1.469351|1.382025|1.412967|1.548444|1.675027|1.891418|2.091607|4.214680|2.814895|5.103899|4.344057|4.134237|0.120294|5.009452|5.595970|4.321972|4.391393|5.860711|10.481659|12.446941|36.858105| |1.889465|2.106723|2.104464|1.885383|1.724285|1.724094|1.571341|1.429473|1.336592|1.352950|1.471464|1.598690|1.791426|1.941933|3.856473|2.528091|4.579599|3.839942|3.586692|0.104537|3.984246|4.084930|3.297426|3.323012|4.169630|6.918363|7.739561|13.127987|53.358707| |1.664174|1.827187|1.818219|1.649970|1.526514|1.530752|1.404362|1.290652|1.214140|1.227474|1.324165|1.425569|1.577077|1.694567|3.319836|2.128131|3.849051|3.183944|2.838102|0.081554|3.149855|3.270931|2.799044|2.884583|3.501139|5.334106|5.121815|7.850138|17.906515|36.858105| |1.644358|1.786732|1.746668|1.582868|1.480967|1.504078|1.357423|1.254514|1.175816|1.179380|1.263766|1.363233|1.496473|1.585732|3.069642|1.941723|3.513228|2.866144|2.509350|0.072234|2.665789|2.690516|2.336636|2.386222|2.815720|4.239737|3.953357|5.081424|10.695688|12.523686|36.858105| |1.735053|1.896537|1.834636|1.642650|1.533994|1.568500|1.393736|1.283909|1.196898|1.196974|1.284591|1.394134|1.537495|1.611560|3.133052|1.969198|3.515262|2.934443|2.575920|0.072930|2.696525|2.612588|2.246196|2.231381|2.578576|3.977437|3.674537|4.524856|9.196705|7.894533|13.639899|73.516695| |1.986617|2.205251|2.121123|1.867116|1.728328|1.771397|1.550919|1.415491|1.309537|1.308428|1.413273|1.549404|1.727871|1.812804|3.558426|2.262991|4.024961|3.409937|3.081237|0.087437|3.155697|2.964505|2.473313|2.409381|2.802588|4.498585|4.329159|5.084967|10.674537|6.798685|8.184150|24.045427|36.858105| |2.032632|2.296980|2.266434|1.989590|1.809724|1.823614|1.627937|1.472704|1.366925|1.378771|1.503787|1.648588|1.863071|1.988461|3.983572|2.587149|4.573139|4.010371|3.791436|0.106448|4.092908|3.815411|3.047477|2.924604|3.472550|5.887480|6.048757|7.848578|17.767761|8.003111|6.801883|14.013398|12.560741|36.858105| |3.273154|4.225032|4.559281|3.587057|2.946600|2.845990|2.518278|2.141382|1.937792|1.981830|2.269153|2.618895|3.255813|3.530443|7.963879|5.556063|8.529982|10.466942|12.222012|0.246752|7.472845|4.983189|3.813861|3.177551|3.380881|5.983735|4.665683|3.883460|4.965001|2.882959|2.630653|4.999343|3.489701|4.203676|36.858105| |3.691343|5.034694|5.590845|4.127609|3.283577|3.153896|2.745731|2.298441|2.060064|2.104729|2.431838|2.855956|3.646619|3.767168|8.587113|5.436223|7.905140|9.828702|7.996140|0.172202|5.541729|3.963612|3.256709|2.734425|2.826094|4.735394|3.586407|3.120989|4.066757|2.463972|2.298017|4.401003|2.996842|3.429880|15.450932|73.516695| |2.987715|3.698502|3.743207|3.032442|2.601076|2.582341|2.241485|1.946156|1.766285|1.788931|2.010232|2.289357|2.741448|2.937432|6.265391|4.265151|7.062405|7.250745|8.117105|0.203691|6.508330|4.745871|3.575108|3.102226|3.442667|6.204104|5.384487|4.593835|6.171910|3.426254|3.134677|6.089076|4.502569|5.625119|15.437061|15.180984|73.516695| |17.700874|8.914395|5.625814|4.957945|5.666381|8.919610|4.040420|3.540767|2.817628|2.552336|2.720332|3.352895|3.562207|3.074096|5.277739|2.892828|5.029362|3.719747|2.671377|0.075580|2.207739|1.988612|1.810686|1.684649|1.749185|2.637673|2.030809|1.824170|2.526241|1.645757|1.646255|3.105015|1.995852|2.005556|3.009414|5.920307|5.043750|0.500000| |8.879185|17.726305|8.970869|5.681346|4.972206|5.626518|3.605935|2.977200|2.491249|2.400092|2.694281|3.344319|4.021837|3.608644|6.823535|3.851380|6.321429|5.235019|3.819476|0.104126|2.975341|2.534193|2.232444|2.015637|2.100123|3.284545|2.546351|2.256052|3.099999|1.962351|1.930356|3.694073|2.452816|2.537863|4.766809|10.295549|7.579474|0.214232|0.500000| |5.644949|8.972197|17.757287|8.817086|5.602383|4.912840|4.241802|3.258293|2.796883|2.849127|3.437087|4.434486|6.483473|5.858725|12.633058|6.415956|9.074371|8.475190|5.134458|0.131090|3.726429|3.069997|2.735185|2.369887|2.387702|3.750404|2.741381|2.365780|3.091144|1.942068|1.844476|3.453255|2.262474|2.466128|5.739749|13.671574|7.786815|0.124435|0.219106|0.500000| |8.891338|5.626973|4.907380|5.605610|8.870688|17.695843|6.561468|6.112953|4.236767|3.513308|3.587930|4.531769|4.193034|3.406707|5.353265|2.795656|4.941364|3.421681|2.348384|0.066815|1.973572|1.824331|1.709878|1.601251|1.631983|2.402387|1.795658|1.605915|2.178612|1.434586|1.418056|2.621674|1.650484|1.683540|2.470326|4.780138|4.061599|0.214749|0.123726|0.106816|0.500000| |4.235765|3.513409|3.581509|4.526346|6.546166|6.109688|8.878907|17.706383|8.898834|5.630308|4.920740|5.612900|4.194176|3.414312|5.030660|2.544483|4.545990|3.046359|2.037035|0.057861|1.758742|1.663946|1.604020|1.512799|1.513242|2.177660|1.588216|1.424457|1.902364|1.266072|1.239408|2.259783|1.399650|1.442970|2.045301|3.890316|3.346424|0.104909|0.081938|0.083929|0.202971|0.500000| |2.818003|2.553098|2.717323|3.350193|4.035107|3.540709|5.660345|8.916903|17.701326|8.921297|5.634046|4.958174|3.563250|3.088971|4.513368|2.263811|4.057216|2.711676|1.795321|0.050766|1.591226|1.532050|1.510835|1.433954|1.412068|1.996081|1.430695|1.290885|1.705527|1.145235|1.113146|2.011422|1.231256|1.278393|1.754869|3.294749|2.874182|0.071240|0.062011|0.067511|0.104959|0.214992|0.500000| |2.490262|2.398800|2.688384|3.336720|3.599225|2.975943|4.959586|5.633460|8.916298|17.705423|8.903938|5.658874|4.012642|3.627123|5.156290|2.503696|4.433519|2.962263|1.906594|0.053395|1.706361|1.652569|1.660491|1.563114|1.509153|2.117857|1.486096|1.336442|1.738440|1.165297|1.118569|2.011737|1.229703|1.295757|1.813872|3.398979|2.929622|0.061995|0.058865|0.069224|0.081976|0.123999|0.215542|0.500000| |2.807776|2.863361|3.454922|4.463774|4.261481|3.269945|5.619602|4.920095|5.632308|8.898253|17.697537|8.892308|6.562687|6.010833|7.820274|3.479468|5.928565|3.975223|2.425363|0.066903|2.135149|2.039760|2.056126|1.884760|1.794141|2.545904|1.756231|1.558729|1.999119|1.323173|1.254897|2.261110|1.395355|1.495310|2.252893|4.270929|3.533292|0.067727|0.069616|0.091199|0.084170|0.106952|0.124037|0.214957|0.500000| |3.958378|4.476023|6.397297|8.833016|6.113724|4.365360|6.113611|4.370471|3.963720|4.481266|6.411179|8.839857|17.519967|8.940504|13.318086|4.984027|7.454987|5.785958|3.308234|0.087280|2.747536|2.457059|2.372259|2.089816|2.017154|2.988606|2.088626|1.840659|2.367857|1.538408|1.457004|2.671344|1.683184|1.819910|3.187714|6.496717|4.742181|0.090088|0.104856|0.172784|0.101557|0.101627|0.090206|0.104789|0.175127|0.500000| |3.099361|3.404881|4.428285|5.467759|4.412480|3.391506|4.791739|3.794339|3.719811|4.481760|6.451162|6.920995|8.818759|17.572466|16.711413|6.348429|10.386708|6.310932|3.514426|0.097052|2.962562|2.810648|2.826397|2.506231|2.358670|3.402294|2.287966|1.965491|2.468502|1.598822|1.491648|2.679053|1.676849|1.839652|3.055468|5.709487|4.611112|0.073470|0.083414|0.124700|0.082870|0.088504|0.086310|0.110011|0.206007|0.211768|0.500000| |3.815919|4.218877|5.545967|6.893313|5.458188|4.165429|5.402735|4.110774|3.737181|4.096971|5.359884|6.727053|8.781201|17.676258|16.521695|7.774068|14.834745|6.912316|4.006409|0.117082|3.169477|3.001000|2.900006|2.611133|2.544888|3.735193|2.570329|2.152404|2.728317|1.742608|1.634261|2.936315|1.861377|2.033926|3.498212|6.413376|5.281862|0.088492|0.100730|0.148594|0.098908|0.098117|0.086872|0.097637|0.144148|0.174189|0.301271|0.500000| |3.220695|4.113687|5.279210|4.461189|3.376562|2.998595|2.983591|2.455004|2.256168|2.397286|2.881336|3.339562|4.533144|5.255493|15.037321|9.694355|11.011235|25.963783|9.354809|0.186075|6.433720|4.666941|4.064145|3.205841|3.111857|5.068696|3.442555|2.912074|3.580614|2.210627|2.012689|3.713164|2.423475|2.812362|7.673381|15.428911|9.163981|0.078420|0.114378|0.203189|0.071328|0.062884|0.055620|0.060670|0.081978|0.129650|0.124681|0.129929|0.500000| |2.302458|2.731078|2.940577|2.563015|2.197757|2.104310|1.986389|1.743260|1.627819|1.688415|1.906530|2.101082|2.498669|2.799748|6.139517|4.249251|6.941943|7.822029|8.864557|0.194480|17.603987|8.962798|5.706716|4.428411|4.767725|9.494456|6.770471|5.925364|6.420314|3.621553|3.017011|5.515697|3.701554|5.088082|7.601346|9.730413|13.663594|0.060098|0.081387|0.095488|0.052531|0.046190|0.041522|0.043899|0.053814|0.069018|0.071704|0.077033|0.146125|0.500000| |2.285792|2.714321|3.068721|2.743873|2.301773|2.138846|2.116689|1.840712|1.737116|1.836476|2.110401|2.306583|2.797269|3.226206|7.449035|5.115679|7.781192|10.330088|8.846066|0.177099|17.574006|9.037920|6.957217|4.672107|4.410375|7.722306|4.704081|4.080795|4.559170|2.770324|2.377551|4.298943|2.768864|3.472910|6.225333|9.321245|9.265260|0.058549|0.078280|0.101632|0.053138|0.048057|0.043998|0.047867|0.060710|0.078848|0.084082|0.085816|0.192135|0.303842|0.500000| |1.915144|2.170192|2.443114|2.334203|2.023763|1.859195|1.942209|1.725814|1.672006|1.795955|2.043878|2.146814|2.491003|2.998336|6.410779|4.297072|7.366177|6.664252|4.880893|0.127861|6.430468|8.795906|17.770262|8.502431|5.825832|7.994730|4.131685|3.554018|3.860309|2.458713|2.093743|3.621321|2.231272|2.694499|3.580987|5.650733|5.797027|0.049243|0.060534|0.076198|0.047113|0.044792|0.042673|0.047688|0.060009|0.069000|0.083080|0.081685|0.116980|0.139098|0.195616|0.500000| |1.661514|1.825896|1.984572|1.922886|1.732738|1.623089|1.680015|1.530711|1.492827|1.582594|1.749326|1.812695|2.013268|2.374150|4.689989|3.086958|5.822286|4.365874|3.398171|0.098867|4.021530|5.792773|8.496569|17.764525|8.783866|7.973567|4.141367|3.629672|3.903961|2.572781|2.163602|3.584904|2.143952|2.537628|2.713407|4.257909|4.700477|0.043448|0.050928|0.059532|0.041903|0.040217|0.038664|0.042432|0.050685|0.054465|0.066040|0.067606|0.078067|0.099099|0.106395|0.194607|0.500000| |1.755074|1.927527|2.031489|1.920638|1.749140|1.680090|1.657169|1.512135|1.448422|1.501353|1.643020|1.738923|1.929374|2.223631|4.362489|2.943378|5.701514|4.201898|3.603359|0.111747|4.145532|5.886659|5.795088|8.625917|17.781082|12.218193|6.935226|5.717128|5.766234|3.666928|2.945885|4.664761|2.799290|3.387150|2.992939|4.503797|5.535930|0.046541|0.054776|0.060500|0.043445|0.040307|0.037633|0.039832|0.046499|0.051432|0.059680|0.064885|0.075023|0.109981|0.099269|0.122932|0.197024|0.500000| |2.098369|2.341635|2.403125|2.189001|1.985672|1.948394|1.821349|1.643946|1.539244|1.569130|1.721149|1.872394|2.108421|2.384159|4.729316|3.272827|6.329110|4.781649|4.558321|0.151465|4.822258|5.759297|4.495221|4.825770|7.114573|12.523544|17.581730|8.887050|9.534602|4.942279|3.971894|6.356027|4.130448|5.260852|4.015623|5.681587|8.125979|0.056111|0.068322|0.071832|0.049925|0.044233|0.039813|0.041020|0.047831|0.055648|0.061653|0.070353|0.085362|0.137827|0.106088|0.100410|0.109769|0.206532|0.500000| |2.377998|2.752389|2.844638|2.498993|2.207818|2.161308|1.983991|1.759537|1.630793|1.665202|1.851644|2.048024|2.373193|2.669761|5.520750|3.917825|7.178770|6.190377|6.845049|0.222001|7.214888|7.131516|4.813683|4.462970|5.723772|12.507375|17.667290|8.824291|9.644061|4.635863|3.808960|6.656657|4.689724|6.650498|6.156666|7.828093|13.596741|0.063037|0.082160|0.087898|0.054445|0.047162|0.041826|0.043183|0.051428|0.063181|0.067684|0.077361|0.110110|0.225193|0.142586|0.109636|0.099688|0.142231|0.303513|0.500000| |1.853684|2.097763|2.166891|1.950094|1.748655|1.710549|1.607650|1.450845|1.367472|1.404351|1.545234|1.669377|1.897319|2.091443|4.271332|2.828041|4.991511|4.491734|4.264675|0.117204|5.595695|5.951925|4.552692|4.366652|5.376917|9.680287|8.824900|17.443912|12.248098|6.537531|4.467350|7.498625|4.703938|7.363613|4.027580|5.786129|8.327508|0.049682|0.062261|0.066498|0.043774|0.038949|0.035429|0.036937|0.043413|0.051857|0.054772|0.058931|0.084849|0.197936|0.129216|0.105653|0.100065|0.136789|0.173855|0.207492|0.500000| |1.725949|1.913460|1.963880|1.800909|1.641353|1.610419|1.524322|1.390222|1.316754|1.348611|1.470077|1.575121|1.759032|1.949487|3.876406|2.558826|4.691802|3.858574|3.505945|0.102627|4.205787|4.993614|4.187188|4.575874|6.274851|9.486310|8.904860|17.550275|12.513244|7.658112|4.847685|7.223393|4.241123|5.729805|3.229380|4.766824|6.511275|0.046492|0.056063|0.058992|0.041614|0.037443|0.034301|0.035622|0.041227|0.047542|0.051458|0.055837|0.071892|0.130010|0.099238|0.095537|0.107507|0.185216|0.217313|0.174211|0.303088|0.500000| |1.588314|1.747663|1.748284|1.588264|1.465348|1.464125|1.352232|1.242952|1.172905|1.189486|1.284330|1.378281|1.526534|1.635015|3.217494|2.044471|3.649586|3.089606|2.724838|0.076436|3.099382|3.180775|2.754551|2.800364|3.298525|4.994192|4.505043|6.915880|12.239869|17.388160|8.877298|12.464379|5.881974|7.088664|2.774480|4.265885|5.776828|0.043547|0.052109|0.052118|0.038106|0.033808|0.030741|0.031436|0.035775|0.041682|0.043041|0.046291|0.060175|0.100230|0.077303|0.068007|0.069764|0.093830|0.115547|0.114854|0.186557|0.189694|0.500000| |1.583559|1.725510|1.726044|1.583842|1.471502|1.470173|1.364286|1.259126|1.190040|1.205064|1.296380|1.387524|1.525366|1.649029|3.206925|2.055735|3.761500|3.033544|2.663770|0.077533|2.957909|3.194137|2.803390|2.991178|3.686146|5.339160|4.951368|7.211263|12.468421|17.537855|8.907048|10.160286|5.050134|5.728027|2.628959|4.021886|5.401915|0.043415|0.050940|0.050942|0.038415|0.034283|0.031246|0.031878|0.036051|0.041216|0.043483|0.047308|0.058054|0.091585|0.072641|0.067988|0.074969|0.111786|0.139662|0.118426|0.160659|0.234545|0.300463|0.500000| |1.506932|1.625181|1.590751|1.452817|1.366174|1.386928|1.260111|1.170963|1.102149|1.105635|1.179856|1.265606|1.380427|1.457371|2.805024|1.756053|3.171161|2.577794|2.213604|0.063269|2.360009|2.394886|2.125840|2.183590|2.531499|3.715096|3.310904|4.170307|7.697085|8.831388|17.572733|16.915375|5.874791|5.057343|2.304385|3.640474|4.766105|0.041980|0.048498|0.046479|0.036502|0.032170|0.029082|0.029231|0.032586|0.037449|0.038306|0.041599|0.050546|0.073309|0.059485|0.053440|0.055779|0.073874|0.092425|0.087957|0.105726|0.115579|0.216833|0.211116|0.500000| |1.685224|1.818486|1.767764|1.606701|1.512246|1.542387|1.385223|1.283190|1.200471|1.199808|1.282046|1.384495|1.513095|1.605239|3.082546|1.955264|3.581610|2.846128|2.484405|0.072897|2.579149|2.628314|2.289842|2.363284|2.813889|4.197766|3.952567|4.737491|9.600213|8.896592|17.483090|16.556135|7.248941|5.901030|2.589234|4.019877|5.463061|0.047022|0.054417|0.051451|0.040506|0.035309|0.031603|0.031576|0.035242|0.040642|0.041859|0.046333|0.055169|0.079529|0.063501|0.056836|0.059699|0.083078|0.115952|0.105819|0.111464|0.126932|0.174042|0.218152|0.300052|0.500000| |2.040301|2.272598|2.162751|1.887103|1.747243|1.802134|1.558679|1.421112|1.310310|1.305843|1.410293|1.551441|1.732986|1.795075|3.526351|2.213892|3.883724|3.351223|2.986797|0.082986|3.012650|2.747798|2.309953|2.214203|2.514878|4.023787|3.702312|4.175438|7.689528|5.064424|5.887725|16.870620|17.613720|8.858446|3.513886|5.506031|8.039426|0.057285|0.071149|0.064119|0.046594|0.039120|0.034215|0.034035|0.038593|0.047144|0.045999|0.050842|0.067321|0.098169|0.074760|0.058785|0.055030|0.068856|0.096903|0.113978|0.112948|0.098117|0.132171|0.110652|0.132168|0.147103|0.500000| |2.087845|2.300046|2.187757|1.927208|1.796787|1.855540|1.606262|1.468154|1.352687|1.344740|1.448540|1.593282|1.769229|1.856862|3.610033|2.305229|4.161520|3.410868|3.072862|0.089658|3.040840|2.893180|2.422183|2.383432|2.795051|4.454562|4.340162|4.727940|9.550075|5.888318|7.247522|16.522593|17.506497|8.881645|3.459606|5.277772|7.893678|0.058608|0.071037|0.064110|0.048127|0.040475|0.035346|0.035025|0.039531|0.047432|0.047501|0.053519|0.066775|0.096211|0.073537|0.060524|0.059055|0.078468|0.121058|0.131818|0.116189|0.111624|0.134458|0.131768|0.147000|0.215263|0.300333|0.500000| 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