Version2.1 2021-01-26T16:10:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)[C@@H]1C(=c2cc(ccc2=[NH+]1)OC)NC(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OCC C38605166 RHF 6-31G(d) (6D,7F) CCOC(=O)[C@@H]1C(=c2cc(ccc2=[NH+]1)OC)NC(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OCC C01[X(C23H33N3O6)] 189 C1 546 CCOC(=O)C1CC[NH+](CC1)[C@H](C(=O)NC1=c2cc(OC)ccc2=[NH+][C@@H]1C(=O)OCC)C CCOC(=O)C1CC[NH+](CC1)[C@H](C(=O)NC1=c2cc(OC)ccc2=[NH+][C@@H]1C(=O)OCC)C CCOC(=O)C1CC[NH+](CC1)[C@@H](C)C(=O)NC2=C3C=C(OC)C=CC3=[NH+][C@@H]2C(=O)OCC InChIKey=ORHRBHAHTQCZBM-XOBRGWDASA-P InChI=1S/C23H31N3O6/c1-5-31-22(28)15-9-11-26(12-10-15)14(3)21(27)25-19-17-13-16(30-4)7-8-18(17)24-20(19)23(29)32-6-2/h7-8,13-15,20H,5-6,9-12H2,1-4H3,(H,25,27)/p+2/t14-,20-/m0/s1 InChI=1/C23H31N3O6/c1-5-31-22(28)15-9-11-26(12-10-15)14(3)21(27)25-19-17-13-16(30-4)7-8-18(17)24-20(19)23(29)32-6-2/h7-8,13-15,20H,5-6,9-12H2,1-4H3,(H,25,27)/p+2/t14-,20-/m0/s1/fC23H33N3O6/h24-26H/q+2 CCOC(=O)[C@@H]1C(=c2cc(ccc2=[NH+]1)OC)NC(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OCC C01[X(C23H33N3O6)] 189 C01 546 CCOC(=O)C1CC[NH+](CC1)[C@H](C(=O)NC1=c2cc(OC)ccc2=[NH+][C@@H]1C(=O)OCC)C CCOC(=O)[C@@H]1CC[NH](CC1)[C@H](C(=O)NC1=[C]2[C]([NH][C@@H]1C(=O)OCC)[CH]=[CH][C](=C2)OC)C CCOC(=O)[C@@H]1CC[NH](CC1)[C@@H](C)C(=O)NC2=C3C=C(OC)C=C[C]3N[C@@H]2C(=O)OCC InChIKey=JMIBVTMDDONIAP-XOBRGWDASA-N InChI=1S/C23H33N3O6/c1-5-31-22(28)15-9-11-26(12-10-15)14(3)21(27)25-19-17-13-16(30-4)7-8-18(17)24-20(19)23(29)32-6-2/h7-8,13-15,20,24,26H,5-6,9-12H2,1-4H3,(H,25,27)/t14-,20-/m0/s1 InChI=1/C23H33N3O6/c1-5-31-22(28)15-9-11-26(12-10-15)14(3)21(27)25-19-17-13-16(30-4)7-8-18(17)24-20(19)23(29)32-6-2/h7-8,13-15,20,24,26H,5-6,9-12H2,1-4H3,(H,25,27)/t14-,20-/m0/s1/f/h25H 3331.2778264795 -1502.2626378 1-A 21402.6036 119 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3.5402 7.8301 1.3011 2.4469 0.3815 0.0677 4.1293 6.5959 10.9961 1.5638 3.1086 9.5179 19.2526 2.9149 16.1590 35.3403 6.3455 0.4846 21.2385 4.1300 1.5857 9.8251 3.5189 1.5240 7.2807 28.8009 56.7480 18.2519 12.1581 118.9945 49.4766 7.8401 10.3288 9.1257 10.3414 8.2380 15.3602 0.9052 16.0432 0.6643 12.9727 1.3253 1.7497 13.4959 4.5398 38.5418 21.3780 76.6429 16.9171 47.1555 63.4286 34.1875 1.3619 1.6532 2.1451 21.4096 18.5896 7.3114 7.5175 40.6608 47.3618 34.7601 48.7720 126.5830 0.3762 130.0085 15.0904 2.8299 7.9027 16.8297 73.1918 36.4056 89.6760 16.5205 147.2049 177.1330 7.9343 3.3711 41.9012 3.7146 61.3799 14.0583 358.8567 108.3562 42.9479 7.6498 249.3150 246.6645 37.2042 4.3942 342.3707 198.0116 200.0733 39.9449 95.8560 52.8026 73.9533 297.5601 88.1185 572.4182 1.0832 16.8732 60.2978 54.0617 61.2344 200.3742 12.2712 59.9449 29.8264 52.0261 30.5227 90.8381 3.8575 14.0800 5.6065 9.6980 70.7558 10.9800 1.6380 22.1187 32.7694 12.5293 65.8126 18.5731 60.3905 61.5569 2.0769 4.0218 268.3246 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12.00000 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 7077.3570 33563.2625 36788.3071 0.99998 -0.00684 -0.00130 0.00687 0.99971 0.02295 0.00114 -0.02296 0.99974 1 0.01224 0.00258 0.00235 0.25500 0.05377 0.04906 16.04 23.82 34.15 38.40 58.07 61.39 79.45 99.43 104.72 110.93 114.46 118.34 147.60 162.38 172.41 204.03 224.45 234.88 250.57 272.39 280.15 295.57 330.99 366.64 372.27 379.69 391.52 398.32 414.73 422.57 425.93 445.20 500.86 536.46 539.05 551.25 554.02 602.87 608.87 632.94 650.01 659.08 699.91 718.37 760.23 772.87 794.60 842.31 852.91 891.05 920.16 927.38 969.62 1036.20 1063.32 1096.24 1118.71 1144.98 1165.50 1204.58 1232.66 1249.24 1256.34 1258.24 1266.44 1268.35 1299.43 1304.52 1350.40 1357.54 1361.44 1373.44 1393.90 1436.31 1458.11 1467.19 1485.45 1511.23 1521.11 1589.45 1599.95 1605.80 1613.05 1617.45 1636.93 1639.87 1662.13 1696.62 1699.81 1719.57 1745.92 1764.85 1773.27 1781.98 1799.30 1807.08 1838.82 1858.14 1859.58 1862.28 1863.08 1900.14 1911.51 1968.57 1979.91 1988.81 1991.85 2023.89 2029.03 2049.09 2052.02 2069.69 2073.44 2079.07 2091.54 2104.26 2118.93 2127.56 2168.90 2189.65 2199.18 2212.61 2227.11 2229.21 2243.64 2251.28 2260.18 2267.09 2272.84 2278.02 2284.94 2288.87 2319.06 2331.51 2340.56 2340.99 2343.37 2349.94 2354.91 2359.43 2361.31 2362.48 2369.80 2370.34 2372.85 2384.65 2390.82 2395.57 2398.89 2439.91 2538.26 2586.62 2664.16 2857.46 2902.54 2935.03 4620.83 4631.47 4636.04 4636.70 4641.30 4657.89 4669.97 4704.00 4713.20 4716.15 4722.76 4723.75 4726.90 4734.36 4745.69 4747.23 4747.98 4752.17 4754.46 4756.91 4763.06 4802.99 4803.12 4809.76 4817.51 4844.14 4857.28 4899.22 4906.58 4918.51 5251.38 5524.64 5533.22 0.597778 0.628622 0.629566 0.531512 -1501.664860 -1501.634015 -1501.633071 -1501.731126 3.288781D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2021 DUDE CCOC(=O)[C@@H]1C(=c2cc(ccc2=[NH+]1)OC)NC(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OCC C38605166 RHF 6-31G(d) (6D,10F) C1 447.236936 |X|Y|Z| 55.041943 35.278910 130.875226 63.341565 18 6 7 15 3 |36.858105| |12.606201|36.858105| |7.969492|13.120596|73.516695| |5.280574|8.101684|25.922467|36.858105| |4.575394|7.064202|15.212638|16.142683|73.516695| |4.010562|5.099849|14.189576|12.385648|14.415038|36.858105| |3.447067|4.318897|10.757578|8.936651|13.066931|17.615242|0.500000| |3.960099|4.507727|12.179140|7.293870|9.205703|12.625993|0.245251|36.858105| |3.487377|3.804432|9.292186|5.440964|7.538368|8.102135|0.171651|14.044704|36.858105| |3.053252|3.137817|7.072101|3.917303|5.744485|5.034076|0.118613|7.403368|13.177982|36.858105| |2.678048|2.743950|5.899010|3.320481|5.082740|4.079996|0.098720|5.133871|7.965689|14.154760|36.858105| |2.590469|2.730786|5.795399|3.389880|5.333843|4.142086|0.100170|4.657755|6.889024|7.805745|13.014385|36.858105| |2.798128|3.075815|6.666608|4.103745|6.484076|5.184269|0.122089|5.310609|7.657441|6.578936|7.687591|14.162609|36.858105| |3.284012|3.739488|8.795926|5.659232|8.311614|8.343402|0.175851|8.508680|13.235936|7.614738|6.802449|8.080715|13.392933|36.858105| |3.498026|4.281674|10.395984|7.902088|11.669829|13.140365|0.253373|8.331059|8.415697|5.273754|4.651045|5.273151|7.735909|14.532642|53.358707| |3.245607|4.027768|9.045844|6.974142|12.046496|8.833072|0.207620|5.853668|5.895545|4.214327|3.938151|4.642624|6.796612|9.227406|25.944573|0.500000| |2.353890|2.358431|4.887418|2.714308|4.252808|3.188909|0.079601|3.863722|5.204962|7.962049|14.425659|8.255306|5.324855|4.640708|4.794616|0.086506|73.516695| |2.268481|2.224418|4.561876|2.483516|3.886651|2.864799|0.072580|3.536114|4.425524|6.647776|8.018893|5.220518|3.941454|3.736607|4.085257|0.073902|23.953658|36.858105| |3.953687|4.256894|10.799205|5.779048|7.710093|7.481731|0.183366|13.861650|7.836154|6.040892|4.262082|3.686987|3.915794|5.322372|7.162371|0.116249|6.137324|3.379049|53.358707| |3.889951|4.270962|10.244116|5.567127|7.789039|6.320846|0.176263|7.823866|5.160415|4.220535|3.271364|2.952678|3.167323|4.099303|5.942923|0.102460|4.926300|2.743734|18.960726|36.858105| |3.907083|4.613327|10.970213|6.552264|9.434091|6.910703|0.212555|6.756176|4.568010|3.631543|2.939551|2.767970|3.060299|3.962612|6.176589|0.109678|4.435705|2.422132|11.497558|15.965869|73.516695| |3.351878|3.440198|7.403119|3.901968|5.857548|4.197399|0.118218|5.044960|3.907265|3.539885|2.833148|2.516553|2.605857|3.172353|4.429549|0.079182|4.454583|2.575931|10.531278|12.427423|14.269230|36.858105| |3.493206|3.406625|7.185136|3.618226|5.408572|3.815384|0.102997|4.736956|3.839614|3.630255|2.895181|2.520742|2.559713|3.067594|4.166458|0.074436|4.611635|2.723242|9.745666|8.781523|10.688763|17.601266|0.500000| |2.672532|2.764363|5.854414|3.245628|5.027546|3.676398|0.107427|4.391086|3.621051|3.404266|2.771055|2.448042|2.498215|2.970636|4.068948|0.073391|4.426818|2.589863|8.286748|7.629977|10.403299|12.402333|0.244846|36.858105| |3.306861|3.408329|6.871250|3.624056|5.684904|3.616713|0.103807|3.931399|3.134917|2.826766|2.357517|2.157884|2.259192|2.698056|3.877545|0.071505|3.756821|2.153411|7.078555|7.849547|12.829571|12.680447|0.253087|7.480882|53.358707| |3.246828|3.502060|7.104033|3.909256|6.242713|3.878421|0.115535|4.002386|3.140628|2.759361|2.317849|2.159099|2.297423|2.765576|4.081450|0.075883|3.663227|2.067431|6.894419|7.935671|15.695182|9.402698|0.184070|6.650598|25.615642|0.500000| |2.676037|2.706624|5.259789|2.821134|4.571353|2.843390|0.082178|3.063713|2.576150|2.402673|2.054999|1.884209|1.946187|2.257106|3.197779|0.059955|3.349120|1.943833|5.215042|5.012852|8.390759|7.466144|0.179402|6.517925|17.115021|0.256952|36.858105| |2.522308|2.565048|4.792117|2.588557|4.324253|2.525708|0.073272|2.611102|2.227121|2.066262|1.803636|1.684520|1.752443|2.009553|2.885050|0.055100|2.953080|1.697738|4.216362|3.910818|7.057743|4.920097|0.123346|4.371485|10.389093|0.199689|12.502668|36.858105| |2.797066|2.777530|4.993297|2.620762|4.394458|2.463775|0.069886|2.525689|2.164153|2.005958|1.759020|1.649713|1.718870|1.965566|2.827793|0.054233|2.882325|1.652856|4.020697|3.641239|6.609642|4.337986|0.115474|3.608967|8.772158|0.164927|7.519086|12.477384|36.858105| |3.569469|3.571403|6.343893|3.237843|5.364517|2.928390|0.082010|2.966288|2.477417|2.245471|1.946603|1.831124|1.929823|2.245164|3.276032|0.062481|3.143963|1.784589|4.746731|4.426906|8.272634|4.965161|0.131263|3.773322|10.347259|0.199862|6.494199|7.596558|12.421508|36.858105| |4.026286|3.963736|7.530285|3.717260|5.838857|3.450683|0.094944|3.679922|2.982624|2.694930|2.271721|2.093662|2.194807|2.602787|3.749151|0.069696|3.632291|2.076091|6.325548|6.260941|10.672238|7.653749|0.207344|4.930756|17.129407|0.258635|7.682253|6.545018|7.553038|12.512578|36.858105| |2.479728|2.486677|4.356526|2.325019|4.006495|2.164780|0.061693|2.167092|1.888426|1.751967|1.561953|1.484513|1.551635|1.752357|2.534779|0.049356|2.573023|1.466262|3.329342|2.917725|5.434281|3.271760|0.087000|2.860276|5.973427|0.121084|4.918828|7.602580|12.513488|7.554643|4.919277|36.858105| |2.204077|2.247360|3.975658|2.167119|3.775850|2.043566|0.058982|2.029219|1.778513|1.650752|1.480645|1.414285|1.479932|1.663295|2.410975|0.047223|2.444132|1.389670|3.084454|2.688221|5.056303|2.984480|0.078027|2.713285|5.300275|0.111025|4.481156|6.959736|7.988379|5.529925|4.032085|16.057425|73.516695| |2.553713|2.510556|4.270219|2.246256|3.890541|2.055920|0.057763|2.051113|1.804888|1.679937|1.507518|1.437923|1.501685|1.685470|2.433275|0.047585|2.490796|1.417414|3.108321|2.658027|4.926183|2.903896|0.079203|2.514682|5.049438|0.101202|3.909995|5.195912|8.133849|6.611847|4.421476|14.545844|15.240722|73.516695| |2.236267|2.214816|3.733718|1.991026|3.504686|1.824849|0.051390|1.801368|1.606597|1.500295|1.362368|1.310468|1.369106|1.520365|2.195920|0.043375|2.262169|1.282824|2.676048|2.242227|4.178794|2.395671|0.065216|2.132879|3.988120|0.081441|3.076293|3.916044|5.145167|4.494877|3.335797|8.072250|12.562181|23.443492|36.858105| |2.258581|2.191981|3.617744|1.907014|3.361255|1.731963|0.048174|1.711017|1.541228|1.446145|1.321206|1.273805|1.327791|1.464743|2.106543|0.041721|2.201710|1.247860|2.516696|2.067103|3.820114|2.177577|0.060290|1.929874|3.512997|0.070983|2.634735|3.150171|4.055143|3.844706|3.001337|5.272089|8.132398|14.209721|12.602525|36.858105| |17.580601|8.939215|10.157477|4.284078|7.055315|3.335389|0.082028|3.243079|2.925313|2.616551|2.351236|2.299164|2.468907|2.815251|4.078540|0.079197|3.741001|2.034759|4.408783|3.244082|5.871475|2.894208|0.083478|2.362057|3.993017|0.080314|2.449399|2.367182|2.668514|3.354029|3.581490|2.427751|3.832538|4.545814|2.272867|2.346054|0.500000| |17.557917|8.827728|12.735012|4.857058|7.340508|3.885078|0.094619|4.014568|3.448658|3.065501|2.637167|2.488313|2.644435|3.121756|4.467031|0.083323|4.148978|2.294497|5.833805|4.355715|7.555928|3.873642|0.115030|2.972557|5.263437|0.102521|3.067085|2.857299|3.226488|4.244675|5.005918|2.776127|4.306313|5.075586|2.436702|2.444864|0.301453|0.500000| |17.587510|8.849029|12.780765|4.934164|7.462078|3.973653|0.092707|4.070151|3.753921|3.349907|2.959608|2.850097|3.042246|3.521671|4.919055|0.092198|4.617547|2.488914|5.378351|3.671303|6.344801|3.167996|0.093184|2.581900|4.096661|0.081339|2.473372|2.297229|2.497307|3.074551|3.523237|2.215630|3.538127|4.028493|2.003460|2.024594|0.301431|0.300504|0.500000| |8.777628|17.641697|16.453206|7.203585|12.490777|4.646930|0.116465|4.026138|3.345504|2.787257|2.447213|2.434010|2.730275|3.288242|5.196647|0.101680|3.782385|2.024551|5.367740|4.227504|8.554602|3.466888|0.093249|2.773831|4.917577|0.105649|2.860905|2.781088|3.057545|4.050680|4.283386|2.766965|4.427371|4.979702|2.461741|2.419812|0.210912|0.210092|0.172604|0.500000| |8.811784|17.658110|16.454480|7.406544|13.001806|4.781049|0.112574|4.072855|3.613970|2.991791|2.694418|2.763862|3.166277|3.753877|5.923631|0.118646|4.122994|2.153037|5.001284|3.591001|6.893909|2.933797|0.080461|2.448017|3.928536|0.082876|2.362482|2.258370|2.418791|3.001733|3.244986|2.213021|3.606868|3.984763|2.019497|2.012888|0.211841|0.172709|0.211273|0.302066|0.500000| |2.997241|2.992771|6.630326|3.559105|5.241838|4.387318|0.106810|6.516850|8.679750|17.772113|9.011485|5.557161|4.801506|5.482988|5.816802|0.097719|12.471637|7.266007|8.596351|4.399555|6.448832|3.878719|0.114246|3.764339|4.093550|0.079716|2.571559|2.172046|2.099884|2.331775|2.846532|1.813156|3.025245|3.081345|1.538028|1.479754|0.071482|0.085935|0.090728|0.074692|0.077711|0.500000| |2.313912|2.413539|4.959509|2.884978|4.658770|3.387291|0.084176|3.688853|4.964523|5.652785|8.822754|17.732582|9.050645|5.685074|5.710827|0.108089|13.906851|4.950474|4.163888|2.533019|4.258152|2.211676|0.061737|2.169591|2.621735|0.053482|1.707306|1.539707|1.510709|1.661858|1.876311|1.370526|2.328718|2.367985|1.222000|1.191949|0.058016|0.061649|0.070563|0.060305|0.068447|0.124081|0.500000| |2.603886|2.893400|6.055796|3.796702|6.295631|4.544978|0.110929|4.311515|5.497883|4.800249|5.507108|8.985715|17.753473|8.739356|9.276269|0.192697|7.649372|3.308815|4.506396|2.795866|4.922454|2.328763|0.063205|2.237718|2.811228|0.058783|1.796136|1.639701|1.613129|1.804909|2.017010|1.472538|2.507959|2.541900|1.313795|1.277199|0.064939|0.067619|0.077898|0.072091|0.084717|0.104984|0.215056|0.500000| |2.200504|2.177955|4.507611|2.478589|3.874309|2.910478|0.075037|3.648285|4.463055|6.627569|7.056087|4.722681|3.733333|3.666374|4.065423|0.073151|16.440703|17.585757|4.867633|2.903641|4.504814|2.760357|0.080613|2.857673|3.090845|0.060452|2.060526|1.779581|1.710560|1.834016|2.145679|1.509807|2.552149|2.573948|1.306655|1.262298|0.054736|0.062507|0.065994|0.055662|0.058047|0.216929|0.121406|0.087223|0.500000| |2.042467|1.996094|4.011770|2.190914|3.484366|2.480497|0.063587|2.953712|3.574758|4.878537|5.911127|4.435139|3.416937|3.167355|3.555138|0.065655|16.952107|17.694474|3.862968|2.377783|3.788016|2.262589|0.066262|2.286837|2.625762|0.051546|1.766173|1.558615|1.520537|1.628091|1.868220|1.360221|2.299165|2.345079|1.201418|1.172366|0.051578|0.057193|0.062020|0.050797|0.054060|0.143160|0.124731|0.082552|0.299625|0.500000| |2.476630|2.375609|4.854724|2.575063|3.990191|2.910578|0.072768|3.646685|4.464837|6.629450|7.056200|4.721782|3.732895|3.666868|4.063648|0.073128|16.440087|17.585885|4.851018|2.874763|4.459072|2.717949|0.081609|2.666658|3.083557|0.059772|2.032413|1.769534|1.738979|1.888459|2.216921|1.533667|2.565268|2.647433|1.341490|1.309970|0.061377|0.070042|0.076465|0.059570|0.063347|0.217147|0.121353|0.087200|0.297275|0.299604|0.500000| |3.660432|3.724648|8.801755|4.558333|6.373916|5.576035|0.138707|9.408441|7.269694|6.680659|4.540815|3.703327|3.733427|4.788218|6.030827|0.100277|6.680621|3.833319|25.989813|9.338525|10.846606|7.427603|0.218179|6.218146|6.568918|0.124136|3.735780|2.973192|2.834774|3.258077|4.349921|2.339832|3.846868|3.898615|1.889938|1.786251|0.084450|0.111581|0.104247|0.095311|0.090565|0.220855|0.085934|0.086990|0.114599|0.087793|0.114702|0.500000| |2.509973|2.662587|5.607947|3.222849|5.103136|3.672750|0.112308|4.138422|3.404729|3.122466|2.595093|2.350545|2.436288|2.894363|4.059606|0.074181|4.132609|2.373347|7.246097|6.859657|10.679298|8.737439|0.172580|17.580775|9.303048|0.193182|6.190918|4.423377|3.527770|3.648941|4.484122|2.867385|4.950380|4.420865|2.130655|1.907270|0.062179|0.076272|0.066821|0.075337|0.066163|0.092689|0.058109|0.061347|0.072418|0.058738|0.066882|0.141070|0.500000| |2.619766|2.705179|5.829311|3.253311|4.982618|3.850845|0.110837|4.871233|4.131302|3.993443|3.177356|2.736342|2.750380|3.272869|4.345212|0.077204|5.051815|2.981930|9.208361|7.106012|9.424613|8.852451|0.209700|17.593123|7.490328|0.140867|4.791597|3.509622|3.032887|3.210407|4.112785|2.477594|4.188741|3.959050|1.918744|1.762041|0.063964|0.079775|0.071792|0.073803|0.067323|0.125932|0.066795|0.067385|0.093660|0.072033|0.084524|0.206899|0.302403|0.500000| |2.441290|2.471654|5.069875|2.774493|4.373882|3.056124|0.088144|3.578232|3.083000|2.996661|2.500989|2.207997|2.223050|2.575637|3.495470|0.063968|4.093476|2.437527|6.388426|5.519986|8.024919|8.745886|0.214324|17.637299|8.994076|0.155745|6.985371|4.530970|3.657704|3.622017|4.585439|2.887353|4.883210|4.487954|2.140184|1.930846|0.060841|0.075698|0.065673|0.069068|0.061206|0.092940|0.055127|0.055763|0.074736|0.060593|0.069951|0.138293|0.299562|0.304115|0.500000| |2.421784|2.485633|4.899157|2.696285|4.392425|2.799143|0.082429|3.019418|2.559088|2.396386|2.055727|1.884962|1.943382|2.246103|3.172138|0.059522|3.356644|1.949037|5.091390|4.809593|8.063582|6.959391|0.159362|7.553849|12.286359|0.221702|17.690692|8.867726|5.501500|4.887197|5.601870|4.099151|7.051205|5.881976|2.719641|2.340937|0.061574|0.075479|0.063004|0.072381|0.061181|0.071203|0.047504|0.049838|0.058010|0.049243|0.055972|0.101566|0.217476|0.147469|0.236719|0.500000| |2.632018|2.584267|4.983571|2.621637|4.219885|2.646564|0.074910|2.918365|2.504481|2.390901|2.048162|1.856724|1.892894|2.173694|3.026071|0.056583|3.374399|1.986806|4.985881|4.526088|7.236378|6.860176|0.190651|6.053400|12.355843|0.181073|17.603069|8.740265|6.730787|5.735523|7.047372|4.489355|7.110803|6.646339|2.950377|2.583593|0.067105|0.084622|0.068367|0.074608|0.062794|0.072208|0.046894|0.048358|0.058501|0.050250|0.058205|0.103116|0.146957|0.129456|0.197113|0.300752|0.500000| |2.461507|2.572755|4.817759|2.666500|4.525679|2.598093|0.076864|2.617915|2.220279|2.032009|1.780493|1.680969|1.765739|2.030602|2.956559|0.056877|2.899321|1.649927|4.146854|3.882892|7.370376|4.581211|0.110427|4.174654|9.316749|0.209936|8.859631|17.559536|8.845347|6.772645|5.685591|7.051330|12.994829|8.604606|3.829654|3.043458|0.064247|0.076085|0.062052|0.078500|0.063364|0.058603|0.042668|0.046147|0.048033|0.042091|0.047416|0.079547|0.124116|0.094012|0.115445|0.216931|0.172683|0.500000| |2.224551|2.243206|4.168401|2.263167|3.806214|2.231388|0.064635|2.315663|2.015515|1.897549|1.673780|1.563025|1.614187|1.827262|2.599468|0.049884|2.768867|1.600837|3.686048|3.289159|5.849421|4.089956|0.105667|3.883535|7.588754|0.145586|8.988402|17.600099|8.808497|5.512776|4.907981|6.868621|12.330169|8.532349|3.795019|3.037091|0.058540|0.069219|0.056989|0.066813|0.055655|0.055552|0.039959|0.042089|0.046700|0.041106|0.046204|0.073393|0.109278|0.088562|0.116556|0.215111|0.213225|0.305666|0.500000| |2.728618|2.626987|4.704077|2.432993|4.046295|2.303501|0.064452|2.406386|2.092329|1.971835|1.733410|1.613309|1.663906|1.887446|2.677105|0.051196|2.864727|1.658705|3.843629|3.374808|5.903458|4.106077|0.115333|3.446946|7.677917|0.135997|6.758029|8.841323|17.519750|8.896200|6.821586|9.028180|11.091057|13.202638|4.844242|4.030148|0.072663|0.088273|0.068480|0.078665|0.063765|0.057888|0.041171|0.043265|0.047613|0.042505|0.048778|0.077014|0.090819|0.081633|0.099785|0.139042|0.197050|0.173617|0.214346|0.500000| |3.525057|3.727981|6.602403|3.480447|5.909378|3.091038|0.088246|3.014402|2.493487|2.218925|1.931257|1.840902|1.965662|2.299447|3.425950|0.065952|3.097188|1.737374|4.702527|4.443842|8.956637|4.631824|0.116669|3.620549|9.312138|0.210978|5.658002|6.763532|8.789733|17.520723|8.878278|6.976015|9.959180|10.670950|4.398317|3.704794|0.092200|0.112178|0.083605|0.122083|0.087540|0.063059|0.046362|0.051411|0.049577|0.044037|0.050650|0.087294|0.101077|0.086171|0.094099|0.127398|0.131863|0.196798|0.138618|0.173777|0.500000| |3.853627|3.705314|6.255139|3.113328|5.196608|2.750443|0.075550|2.774407|2.357884|2.151212|1.882152|1.777565|1.869838|2.155632|3.132981|0.060113|3.053798|1.731808|4.334283|3.840360|7.091316|4.139019|0.114606|3.214106|7.569857|0.145699|4.885351|5.518005|8.791553|17.604911|8.978590|6.804856|8.726924|12.835548|4.844003|4.394414|0.103637|0.129082|0.090493|0.117401|0.086312|0.061840|0.045010|0.048770|0.048967|0.044067|0.051199|0.083493|0.085478|0.078472|0.086267|0.107744|0.128953|0.138788|0.123341|0.216934|0.303430|0.500000| |3.853552|3.585199|6.737711|3.277666|5.135609|3.102232|0.083931|3.419344|2.860862|2.667897|2.254822|2.049609|2.112313|2.468031|3.467869|0.064341|3.653495|2.122498|5.896306|5.354481|8.520218|6.985897|0.223988|4.721270|12.399636|0.181954|7.105537|5.822221|6.822089|8.789591|17.604452|4.517018|6.560412|7.461042|3.187570|2.932999|0.096064|0.135355|0.096251|0.103742|0.082786|0.079808|0.051269|0.053720|0.060872|0.053171|0.063660|0.119151|0.114103|0.111795|0.128472|0.144875|0.215944|0.133153|0.130415|0.201391|0.173231|0.213922|0.500000| |5.097370|5.086720|9.846141|4.591773|6.972676|4.072891|0.108927|4.305792|3.384714|2.974026|2.479057|2.294975|2.435495|2.944807|4.297554|0.079133|3.901033|2.200798|7.370239|7.286141|12.693762|7.276691|0.197728|4.617498|12.311081|0.222620|5.602823|4.899166|5.496448|8.821306|17.652269|4.078465|6.128248|6.822918|3.023442|2.800485|0.120209|0.183413|0.119762|0.152824|0.109999|0.086089|0.056591|0.061891|0.062617|0.054602|0.065574|0.134986|0.117290|0.112239|0.114259|0.126163|0.144492|0.127295|0.107920|0.139930|0.215522|0.213839|0.300332|0.500000| |2.209742|2.235180|3.763779|2.033819|3.625361|1.855766|0.052657|1.806547|1.606761|1.489066|1.354352|1.311219|1.378362|1.532704|2.232401|0.044345|2.240667|1.263024|2.660325|2.237168|4.242791|2.349252|0.063011|2.101946|3.906801|0.081836|2.967375|3.777677|4.715771|4.305130|3.204235|7.242848|12.703501|16.471908|17.638784|8.796635|0.062341|0.066071|0.054823|0.069787|0.056943|0.042136|0.033956|0.036886|0.035746|0.032842|0.036535|0.051721|0.059085|0.052583|0.057992|0.073982|0.077277|0.107613|0.100310|0.117133|0.124612|0.125160|0.082858|0.082015|0.500000| |2.017403|1.995739|3.410205|1.829378|3.210923|1.701746|0.048075|1.691532|1.518112|1.428129|1.300618|1.248295|1.297907|1.434234|2.059249|0.040654|2.170600|1.235906|2.517007|2.098332|3.874012|2.269991|0.061882|2.061190|3.741548|0.075909|2.981249|3.813869|4.744594|3.914293|3.031881|7.282244|12.734582|16.485456|17.643608|8.801984|0.056595|0.060915|0.050846|0.060810|0.050835|0.040799|0.032425|0.034594|0.035069|0.032248|0.035818|0.049725|0.057297|0.051517|0.058152|0.074217|0.080192|0.102692|0.107677|0.127975|0.105114|0.112798|0.081773|0.075677|0.301909|0.500000| |2.504943|2.426055|3.924251|2.053579|3.634626|1.835397|0.050776|1.799780|1.616185|1.506912|1.375390|1.330450|1.393149|1.541437|2.228082|0.044202|2.282194|1.287528|2.632628|2.159400|4.019103|2.237492|0.061969|1.955681|3.597972|0.073100|2.616293|3.067503|3.971991|4.046719|3.144794|4.888574|7.402001|12.795514|8.847117|17.574321|0.073309|0.075086|0.061555|0.075271|0.061744|0.042651|0.034517|0.037261|0.036045|0.033529|0.037621|0.051599|0.053595|0.049780|0.053766|0.064346|0.070874|0.083006|0.080067|0.107854|0.109907|0.133861|0.084401|0.083313|0.210962|0.172818|0.500000| |2.037317|1.991290|3.290561|1.751132|3.110038|1.597363|0.044528|1.571082|1.425737|1.340912|1.233319|1.194542|1.244832|1.364370|1.961141|0.039047|2.061726|1.166412|2.289504|1.863782|3.449938|1.948163|0.053782|1.751774|3.091426|0.062924|2.323389|2.742827|3.360395|3.190681|2.576524|4.274501|7.048740|10.176990|8.931863|17.575356|0.058964|0.060388|0.051179|0.060729|0.051447|0.037991|0.031177|0.033409|0.032744|0.030555|0.033897|0.045175|0.048346|0.044729|0.048695|0.058357|0.063199|0.074706|0.074493|0.092314|0.087174|0.098354|0.069895|0.067543|0.211348|0.211548|0.301222|0.500000| |2.233927|2.127378|3.527479|1.843295|3.216331|1.685783|0.046626|1.685940|1.526035|1.443922|1.319254|1.264812|1.310122|1.441260|2.055562|0.040535|2.208418|1.258987|2.493695|2.033941|3.701411|2.169285|0.060915|1.923312|3.468741|0.068795|2.627216|3.088692|3.992254|3.718008|2.982266|4.904552|7.412413|12.815447|8.851694|17.581854|0.064395|0.067750|0.056066|0.064309|0.054143|0.041271|0.032912|0.034898|0.035356|0.032902|0.036844|0.049624|0.052263|0.048886|0.053916|0.064532|0.073154|0.080714|0.083733|0.116280|0.095825|0.119062|0.083297|0.076700|0.172815|0.211093|0.300349|0.301179|0.500000| 1500.284752 -10125.569860 3992.159705 -200.415354 -4833.540758 3331.278066 -1502.262692 2.001318 4062000000000027 4491760A793B1ACE 4412A00B2BFAC742 41B840484FFFFFFC C045000000000003 42D50EBD446353FD