Version2.1 2021-01-10T12:04:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCCN1c2ccccc2[C@@H]([C@H](C1=O)C(=O)N[C@@H]3C(=c4ccccc4=[NH+]C3=O)O)O C39550198 RHF 6-31G(d) (6D,7F) CCCCCN1c2ccccc2[C@@H]([C@H](C1=O)C(=O)N[C@@H]3C(=c4ccccc4=[NH+]C3=O)O)O C01[X(C24H26N3O5)] 168 C1 532 CCCCCN1C(=O)[C@H](C(=O)N[C@H]2C(=O)[NH+]=c3c(=C2O)cccc3)[C@H](c2c1cccc2)O CCCCCN1C(=O)[C@H](C(=O)N[C@H]2C(=O)[NH+]=c3c(=C2O)cccc3)[C@H](c2c1cccc2)O CCCCCN1C(=O)[C@@H]([C@@H](O)c2ccccc12)C(=O)N[C@H]3C(=O)[NH+]=C4C=CC=CC4=C3O InChIKey=AJLGQUIZSYIUND-ZCNNSNEGSA-O InChI=1S/C24H25N3O5/c1-2-3-8-13-27-17-12-7-5-10-15(17)20(28)18(24(27)32)22(30)26-19-21(29)14-9-4-6-11-16(14)25-23(19)31/h4-7,9-12,18-20,28-29H,2-3,8,13H2,1H3,(H,26,30)/p+1/t18-,19+,20-/m0/s1 InChI=1/C24H25N3O5/c1-2-3-8-13-27-17-12-7-5-10-15(17)20(28)18(24(27)32)22(30)26-19-21(29)14-9-4-6-11-16(14)25-23(19)31/h4-7,9-12,18-20,28-29H,2-3,8,13H2,1H3,(H,26,30)/p+1/t18-,19+,20-/m0/s1/fC24H26N3O5/h25-26H/q+1 CCCCCN1c2ccccc2[C@@H]([C@H](C1=O)C(=O)N[C@@H]3C(=c4ccccc4=[NH+]C3=O)O)O C01[X(C24H26N3O5)] 168 C01 532 CCCCCN1C(=O)[C@H](C(=O)N[C@H]2C(=O)[NH+]=c3c(=C2O)cccc3)[C@H](c2c1cccc2)O CCCCC[N]1[C](=O)[C@H](C(=O)N[C@H]2C(=O)N[C]3[C]([C]2[OH])[CH]=[CH][CH][CH]3)[C@H]([C]2[C]1[CH][CH][CH][CH]2)O CCCCCN1[C]2[CH][CH][CH][CH][C]2[C@H](O)[C@@H](C(=O)N[C@@H]3[C](O)[C]4C=C[CH][CH][C]4NC3=O)C1=O InChIKey=XAPUUXZKCYQWBQ-ZCNNSNEGSA-N InChI=1S/C24H26N3O5/c1-2-3-8-13-27-17-12-7-5-10-15(17)20(28)18(24(27)32)22(30)26-19-21(29)14-9-4-6-11-16(14)25-23(19)31/h4-7,9-12,18-20,28-29H,2-3,8,13H2,1H3,(H,25,31)(H,26,30)/t18-,19+,20-/m0/s1 InChI=1/C24H26N3O5/c1-2-3-8-13-27-17-12-7-5-10-15(17)20(28)18(24(27)32)22(30)26-19-21(29)14-9-4-6-11-16(14)25-23(19)31/h4-7,9-12,18-20,28-29H,2-3,8,13H2,1H3,(H,25,31)(H,26,30)/t18-,19+,20-/m0/s1/f/h25-26H 3190.4643234546 -1461.4798902 1-A 19016.7230 115 417 532 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.82863 -20.70318 -20.65269 -20.64181 -20.61927 -15.77737 -15.71284 -15.68783 -11.56292 -11.52499 -11.49806 -11.47392 -11.45799 -11.44662 -11.43090 -11.42764 -11.42650 -11.39931 -11.39416 -11.37441 -11.36537 -11.34467 -11.32862 -11.31465 -11.31341 -11.31102 -11.30815 -11.30157 -11.28195 -11.27509 -11.26815 -11.25600 -1.66750 -1.57808 -1.52436 -1.49009 -1.45428 -1.45398 -1.38057 -1.35340 -1.32893 -1.25791 -1.23040 -1.19679 -1.19544 -1.16878 -1.14103 -1.10463 -1.09655 -1.07779 -1.07482 -1.05630 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113.4399 133.6588 138.1136 143.6831 154.1571 163.5955 213.8410 223.8052 231.8927 262.9811 265.5916 302.9693 310.4221 329.0158 350.1019 360.1675 373.1890 385.1503 388.6794 411.0789 422.7128 450.8894 452.8512 480.6675 486.1358 493.9383 515.7092 528.6101 558.5951 574.8526 588.0674 600.4245 613.6222 633.4959 636.2234 663.6189 683.8368 688.3940 719.2698 723.2300 736.4763 745.8538 752.9804 786.2102 793.2311 807.2922 815.2222 824.2232 850.4276 854.3811 860.8854 904.6359 918.9957 930.0549 944.9440 962.6663 975.8269 977.3113 987.1206 1012.0539 1032.4509 1076.2512 1079.5762 1085.3463 1095.2274 1099.4015 1107.2860 1112.5133 1119.1862 1124.6561 1138.1365 1144.2858 1153.1093 1157.5226 1181.8146 1187.8077 1217.4797 1231.9399 1233.4800 1252.0106 1255.7449 1286.4325 1289.8632 1313.5360 1318.0686 1327.6945 1332.5084 1341.3445 1348.1279 1354.2175 1362.8070 1391.5874 1393.8639 1404.9691 1412.8396 1414.1179 1434.3769 1448.6552 1455.5168 1456.6750 1460.9962 1463.2291 1483.4674 1487.4381 1527.9543 1534.8303 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34.1888 6.9848 33.1424 12.7130 18.8368 3.4971 90.9048 52.0258 55.0168 21.3610 6.9849 5.8919 3.2050 8.1392 0.8976 19.4995 0.5311 0.1545 8.3667 190.5843 127.6684 175.0063 70.4262 4.3781 1.0042 4.7528 3.1707 2.7866 0.7427 0.1888 1.9657 2.6357 0.7178 0.3599 0.6479 2.2873 1.2401 1.8725 0.8083 2.3724 0.5446 1.0976 3.1646 0.0083 2.1209 1.1420 2.1564 2.1632 1.1915 1.6018 1.4570 1.0108 1.4407 2.4839 4.3828 3.6950 2.4070 3.1202 2.9341 1.7376 1.8438 3.7839 0.5705 11.1788 1.9713 2.4340 3.7251 1.1876 2.3009 1.1093 2.2995 6.7574 10.7392 1.3090 3.9785 0.5947 3.7986 0.1703 7.0904 0.8277 2.2195 2.6737 0.7843 2.2792 1.1766 1.5712 2.0536 3.1927 9.4150 2.9290 6.2508 4.5857 2.0898 1.3704 1.4808 0.9256 0.3817 4.0021 1.6024 1.6467 8.5781 23.3531 1.5010 0.3026 16.7320 0.9877 20.0095 0.4591 2.1581 10.5664 8.3008 26.4172 9.6798 2.2388 1.3597 1.9471 2.9788 0.7991 3.5026 3.2262 0.8383 1.9973 4.8906 2.8562 13.8429 2.6881 16.4009 6.1937 18.6096 69.4715 2.4201 9.2815 30.4498 46.3011 13.6124 10.3217 109.7738 0.5029 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6 6 6 6 6 7 1 6 8 8 8 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 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 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 7299.6096 28871.7624 32001.8481 0.99987 0.01621 0.00045 -0.01621 0.99987 -0.00253 -0.00049 0.00252 1.00000 1 0.01187 0.00300 0.00271 0.24724 0.06251 0.05639 16.21 23.77 28.30 43.25 55.65 69.08 79.56 104.67 116.35 131.88 155.31 163.21 192.31 198.71 206.73 221.80 235.38 307.67 322.01 333.64 378.37 382.13 435.91 446.63 473.38 503.72 518.20 536.94 554.15 559.22 591.45 608.19 648.73 651.55 691.57 699.44 710.67 741.99 760.55 803.69 827.08 846.10 863.88 882.87 911.46 915.38 954.80 983.89 990.45 1034.87 1040.57 1059.63 1073.12 1083.37 1131.18 1141.28 1161.51 1172.92 1185.87 1223.58 1229.26 1238.62 1301.57 1322.23 1338.14 1359.56 1385.06 1404.00 1406.13 1420.25 1456.12 1485.47 1548.49 1553.27 1561.57 1575.79 1581.79 1593.14 1600.66 1610.26 1618.13 1637.52 1646.37 1659.07 1665.42 1700.37 1708.99 1751.68 1772.49 1774.70 1801.36 1806.74 1850.89 1855.83 1889.89 1896.41 1910.26 1917.18 1929.90 1939.66 1948.42 1960.78 2002.18 2005.46 2021.44 2032.76 2034.60 2063.75 2084.29 2094.16 2095.83 2102.05 2105.26 2134.38 2140.09 2198.39 2208.28 2230.27 2232.81 2257.34 2259.19 2266.53 2289.61 2352.12 2357.24 2362.19 2365.10 2365.44 2370.57 2377.42 2383.82 2402.75 2415.59 2446.16 2460.69 2522.09 2578.73 2608.04 2609.36 2733.25 2831.94 2963.72 4525.16 4575.29 4593.85 4605.47 4608.66 4622.81 4639.94 4676.82 4685.46 4695.24 4704.05 4708.88 4710.75 4836.02 4843.62 4853.92 4858.76 4879.03 4887.64 4898.95 4921.36 4934.36 5440.78 5489.96 5819.88 5902.65 0.511572 0.538809 0.539753 0.449499 -1460.968318 -1460.941081 -1460.940137 -1461.030391 3.027134D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CCCCCN1c2ccccc2[C@@H]([C@H](C1=O)C(=O)N[C@@H]3C(=c4ccccc4=[NH+]C3=O)O)O C39550198 RHF 6-31G(d) (6D,10F) C1 436.187246 |X|Y|Z| 121.243568 55.072739 35.825203 62.076613 22 6 7 19 3 |36.858105| |12.467901|36.858105| |7.476078|12.451730|36.858105| |4.864550|7.467613|12.450246|36.858105| |3.750196|4.878392|7.524505|12.470227|36.858105| |2.993149|3.775681|4.951228|7.635185|12.946612|53.358707| |2.723939|3.386288|4.154267|5.954499|7.579017|18.229642|36.858105| |2.807100|3.440315|4.188861|5.555271|6.530943|10.588880|13.716055|36.858105| |2.448546|2.908249|3.323843|4.090276|4.432941|6.978304|7.912480|13.739787|36.858105| |2.155263|2.536891|2.821795|3.460683|3.707098|6.145840|6.810741|7.912618|13.792018|36.858105| |2.118596|2.517598|2.814764|3.557894|3.879827|6.998584|7.916346|6.905813|8.005143|13.758933|36.858105| |2.337048|2.838626|3.281228|4.397650|5.051928|10.630520|13.648723|7.941948|6.890222|7.899403|13.764897|36.858105| |2.196005|2.644702|3.008272|3.955354|4.469133|9.149078|7.626759|5.052246|4.463606|5.021305|7.569971|12.662788|36.858105| |1.955139|2.305154|2.571603|3.234257|3.593971|6.740022|5.656412|4.215984|3.995447|4.745098|7.217517|8.924124|17.607877|0.500000| |2.232459|2.662270|3.125431|4.061397|4.984807|10.479870|6.716272|4.541187|3.797164|3.939173|5.136589|7.682703|12.541294|0.246864|36.858105| |2.158600|2.554510|2.933403|3.709833|4.308284|8.016431|5.040230|3.689737|3.171838|3.297404|4.163591|5.630651|8.978110|0.206352|17.566121|0.500000| |2.651637|3.235928|4.042761|5.565159|7.889850|19.182820|7.855957|5.197752|3.959209|3.770561|4.504707|6.662896|7.500776|0.152921|12.476548|0.254680|36.858105| |2.673870|3.194122|4.006492|5.111224|7.001773|11.487398|5.376994|4.080850|3.228512|3.055831|3.505261|4.685054|5.281040|0.118840|8.111456|0.215385|15.775565|73.516695| |1.972628|2.281343|2.666236|3.268390|4.064465|7.622095|5.267637|3.979905|3.479992|3.642913|4.562597|5.911361|7.483728|0.199408|12.519478|0.252333|7.569460|11.052642|36.858105| |1.803415|2.064954|2.369064|2.851426|3.424367|6.162991|4.710090|3.759728|3.483753|3.816080|4.834778|5.666680|6.719556|0.209687|7.921842|0.176786|5.360007|7.999570|15.924036|73.516695| |1.945590|2.212918|2.608584|3.089439|3.902542|6.672437|4.275466|3.432926|2.976153|2.997343|3.514985|4.342737|5.045322|0.132584|7.813453|0.195154|6.682379|11.819318|13.899014|15.141094|53.358707| |1.744905|1.943834|2.261280|2.585902|3.184331|5.117920|3.463139|2.964288|2.661744|2.687356|3.045461|3.519488|3.854369|0.106336|5.068987|0.130427|4.558114|8.158803|7.930271|12.592824|18.312876|36.858105| |1.685985|1.879077|2.173045|2.492702|3.044587|4.959263|3.541399|3.076326|2.829271|2.905017|3.290983|3.692527|3.925036|0.111555|4.834350|0.119664|4.207258|7.110896|7.785922|15.047684|12.709611|17.403217|0.500000| |1.567221|1.728334|1.964934|2.211938|2.610099|4.092508|2.809920|2.443362|2.247920|2.306596|2.608975|2.927376|3.292557|0.094003|4.107255|0.113903|3.599776|6.568200|5.736085|9.890013|10.544456|12.614649|0.258809|36.858105| |1.440982|1.566400|1.766064|1.945068|2.261894|3.429418|2.376198|2.129771|1.983994|2.021254|2.229253|2.440271|2.659785|0.075759|3.168044|0.087749|2.902438|5.344657|4.080808|7.234546|6.953403|7.510009|0.181483|13.580497|36.858105| |1.312300|1.417973|1.575075|1.721371|1.956094|2.939314|2.060761|1.864157|1.760869|1.809148|1.987793|2.139047|2.340147|0.067531|2.695413|0.076055|2.454392|4.498001|3.309429|5.990521|5.246821|4.933509|0.127977|7.650803|13.342047|36.858105| |1.225571|1.311631|1.448958|1.562664|1.760622|2.598365|1.828862|1.682167|1.598524|1.632117|1.765496|1.879059|2.018144|0.057860|2.282284|0.064019|2.126984|3.906087|2.717528|4.914669|4.230134|3.848542|0.102070|5.125954|7.871318|14.078496|36.858105| |1.235922|1.314922|1.459331|1.559901|1.767565|2.573921|1.806178|1.680254|1.592287|1.606660|1.716153|1.826169|1.925316|0.054517|2.179996|0.060315|2.081618|3.840835|2.582673|4.626935|4.066933|3.743114|0.099339|4.565380|6.874901|7.992514|13.467598|36.858105| |1.334639|1.422565|1.597035|1.708606|1.967487|2.859111|1.990955|1.852751|1.739312|1.737847|1.851040|1.987214|2.075193|0.058129|2.385921|0.065101|2.312732|4.287631|2.870520|5.078795|4.659313|4.480519|0.117015|5.155854|7.837081|6.814402|7.823408|13.927131|36.858105| |1.454213|1.567628|1.779139|1.932712|2.266573|3.357218|2.316820|2.117665|1.965460|1.967081|2.124630|2.317795|2.446373|0.068390|2.893398|0.078440|2.774292|5.149707|3.633949|6.355014|6.221949|6.672669|0.164803|7.893167|13.439674|7.766478|6.768892|7.956751|13.601545|36.858105| |1.590921|1.719319|1.984068|2.156785|2.594083|3.817102|2.599002|2.382008|2.175199|2.138915|2.293351|2.535211|2.622022|0.071792|3.155436|0.083383|3.134811|5.850761|3.985852|6.763723|7.094643|7.773508|0.185657|6.860086|7.864836|5.135565|4.561690|5.244892|7.981644|13.986961|53.358707| |1.582806|1.694036|1.955687|2.091917|2.505719|3.591672|2.445045|2.284756|2.088002|2.027935|2.138816|2.347316|2.385033|0.064796|2.820672|0.074422|2.879757|5.401048|3.419332|5.798842|5.841212|5.694237|0.143017|5.052689|5.747277|4.243354|4.024525|4.860631|7.437635|9.329048|25.919397|0.500000| |1.772838|1.946136|2.288189|2.543134|3.169778|4.788571|3.183075|2.839910|2.528173|2.469472|2.687665|3.065309|3.180412|0.085409|4.017515|0.103281|4.045985|7.558397|5.327125|8.519911|10.604054|12.507279|0.252222|7.521992|6.561363|4.401289|3.727336|3.943103|5.158500|7.806663|18.769385|0.262572|36.858105| |1.949232|2.141854|2.574931|2.846752|3.673988|5.381331|3.473681|3.134095|2.717123|2.577706|2.759805|3.191666|3.206567|0.083578|4.051696|0.101876|4.421677|8.386496|5.009624|7.750179|9.370317|8.007226|0.184575|5.277059|4.682073|3.470447|3.056065|3.258834|4.125429|5.448977|11.560665|0.218044|16.149311|73.516695| |1.551823|1.722274|1.936686|2.201970|2.548336|4.059765|2.804497|2.399074|2.219955|2.318028|2.678962|3.012926|3.554837|0.104196|4.409659|0.128822|3.636772|6.553856|5.985086|10.411423|9.712494|8.155894|0.192128|14.937715|8.013566|6.512117|4.458302|3.780054|3.970768|5.270116|6.416997|0.105237|5.239099|7.374780|73.516695| |2.321868|2.843822|3.135846|4.163714|4.292600|7.997418|6.068477|4.359786|3.866558|4.213636|5.711479|7.898313|13.531430|0.257621|8.246988|0.222862|6.418927|8.788556|5.191725|8.216788|5.481856|3.163094|0.086924|2.817774|2.334380|2.098067|1.830987|1.744278|1.859937|2.153937|3.108138|0.058427|2.703365|4.878655|5.464911|73.516695| |17.539657|8.774569|6.772961|4.495900|3.640412|3.943633|2.578185|2.606501|2.264700|2.012695|2.000944|2.223857|2.124203|0.052663|2.202193|0.059689|2.630470|4.837855|1.958015|3.162277|2.667414|1.760581|0.046850|1.586403|1.463330|1.332258|1.246306|1.259487|1.361419|1.481016|2.206911|0.044945|1.802222|3.531148|2.785498|3.980221|0.500000| |17.538153|8.772878|6.770734|4.495303|3.633979|3.940128|2.680091|2.840797|2.495133|2.165669|2.093608|2.283671|2.111574|0.052487|2.142049|0.056921|2.533873|4.506050|1.920857|3.144067|2.582180|1.718372|0.046388|1.536932|1.420034|1.291234|1.210163|1.226501|1.328328|1.443046|2.158085|0.044059|1.761242|3.460249|2.686398|3.896370|0.301616|0.500000| |17.558201|8.781626|5.457920|4.040854|3.174680|3.598971|2.454572|2.524013|2.253751|2.013838|1.979397|2.154509|2.039267|0.050908|2.048309|0.055439|2.376463|4.239634|1.814535|2.973243|2.424484|1.605719|0.043235|1.456902|1.344038|1.233076|1.154369|1.160689|1.245723|1.350908|1.994830|0.040443|1.620842|3.134598|2.578550|3.869283|0.301807|0.301806|0.500000| |8.860366|17.518074|8.862949|6.872715|4.552691|5.019241|3.263661|3.186911|2.717553|2.435237|2.471248|2.808951|2.696903|0.065228|2.717903|0.073898|3.273818|5.811472|2.293817|3.671868|3.023847|1.935811|0.051677|1.737407|1.568864|1.426247|1.315501|1.310910|1.411188|1.556781|2.306173|0.046113|1.916562|3.712027|3.108374|5.309199|0.210710|0.172932|0.212880|0.500000| |8.859989|17.514233|8.858814|6.871640|4.540464|5.012381|3.476606|3.642981|3.141783|2.719414|2.651185|2.931679|2.671561|0.064901|2.608107|0.068867|3.094404|5.264554|2.235206|3.643776|2.902276|1.880554|0.051065|1.673505|1.516257|1.376624|1.273523|1.274112|1.374706|1.513185|2.251042|0.045165|1.867866|3.630539|2.973454|5.116747|0.172943|0.210660|0.212882|0.303947|0.500000| |6.883575|8.861619|17.492197|8.843297|6.898198|6.277958|4.052776|4.359269|3.472064|2.863210|2.774655|3.164114|2.821271|0.067827|2.914436|0.074827|3.701188|6.434241|2.561551|4.100744|3.422214|2.219441|0.059810|1.916888|1.736688|1.545764|1.429445|1.449925|1.593707|1.768123|2.702832|0.054831|2.279807|4.604994|3.322454|5.071659|0.169301|0.204155|0.140615|0.173809|0.211810|0.500000| |6.879838|8.860015|17.502630|8.849048|6.942611|6.293128|3.726660|3.634039|2.923051|2.537129|2.570726|3.011998|2.851902|0.068215|3.070949|0.081438|4.021678|7.522405|2.651385|4.141578|3.627227|2.312162|0.060807|2.014938|1.817224|1.617186|1.489698|1.504943|1.651416|1.838910|2.799971|0.056554|2.370240|4.774939|3.514499|5.260544|0.204082|0.169159|0.140574|0.211917|0.173761|0.303717|0.500000| |4.525432|6.839276|8.830552|17.534291|8.916879|9.532591|5.368181|4.651180|3.609055|3.218900|3.435772|4.298919|4.145977|0.093406|4.278552|0.112994|5.784701|9.692063|3.312215|5.080431|4.245505|2.571155|0.068147|2.234114|1.952105|1.738075|1.570711|1.554645|1.690657|1.914655|2.872773|0.056421|2.481729|4.849551|4.018884|8.292033|0.119397|0.111061|0.108425|0.206432|0.170752|0.173339|0.211200|0.500000| |4.531079|6.851072|8.846266|17.542365|8.823553|9.473632|6.506971|6.572397|4.838065|3.977701|3.972713|4.776551|4.050940|0.092366|3.880888|0.097017|4.932665|7.638218|3.140415|5.003387|3.925099|2.444650|0.066731|2.102023|1.852818|1.649921|1.500253|1.493943|1.628592|1.834744|2.767556|0.054700|2.377893|4.670760|3.737500|7.601465|0.111184|0.119537|0.108537|0.170949|0.206807|0.211432|0.173572|0.303661|0.500000| |3.654953|4.524489|6.877720|8.777153|17.614278|12.399178|6.976116|7.155065|4.762176|3.779906|3.761367|4.639921|3.916142|0.090639|4.258018|0.101511|6.039182|9.688314|3.739169|5.786191|4.945399|3.091450|0.083539|2.514290|2.212615|1.909111|1.733149|1.758766|1.971340|2.256794|3.560217|0.071170|3.173405|6.680211|4.285729|6.465131|0.097716|0.102789|0.085538|0.111966|0.119730|0.206979|0.173136|0.173642|0.207880|0.500000| |3.648965|4.534994|6.842744|8.862732|17.710427|12.621281|5.675759|4.872654|3.597894|3.132646|3.323464|4.239983|4.042180|0.092371|4.831424|0.121047|7.878625|15.317970|4.043348|5.916864|5.611645|3.341020|0.086028|2.739907|2.377226|2.043018|1.837884|1.851446|2.071855|2.395352|3.759771|0.074340|3.398600|7.126466|4.719453|6.961524|0.102783|0.097011|0.085574|0.121040|0.111969|0.169398|0.207027|0.215044|0.173714|0.305315|0.500000| |3.138157|3.838348|4.883097|6.188804|7.343660|9.621530|8.870944|17.794588|8.992887|5.662997|4.975583|5.636589|4.104035|0.096784|3.936042|0.091726|4.755711|7.031750|3.515938|5.818453|4.338502|2.793546|0.079310|2.308259|2.040521|1.785738|1.625528|1.639060|1.815713|2.059687|3.182629|0.063214|2.769413|5.558235|3.981496|6.578992|0.080387|0.090051|0.076837|0.095216|0.112436|0.150013|0.114979|0.133590|0.200660|0.261191|0.147884|0.500000| |2.417340|2.808858|3.155324|3.679007|3.879007|5.670997|5.647550|8.961035|17.724270|8.925249|5.670505|4.961602|3.565890|0.090808|3.146489|0.075040|3.315219|4.996805|2.950336|5.270767|3.544918|2.384157|0.070248|2.037847|1.829197|1.634469|1.499437|1.503272|1.639801|1.830599|2.754112|0.054566|2.311834|4.429560|3.553100|5.679674|0.061688|0.069619|0.062067|0.071825|0.085187|0.094056|0.076905|0.089395|0.120277|0.119310|0.089367|0.218832|0.500000| |1.969583|2.275515|2.476144|2.933040|3.078705|4.898791|4.921049|5.631055|8.903332|17.736120|8.899848|5.629023|4.092175|0.112585|3.295261|0.079017|3.122566|4.646947|3.133718|5.955906|3.581717|2.418519|0.073020|2.118523|1.882982|1.705766|1.550470|1.525560|1.638141|1.833629|2.684988|0.052159|2.233885|4.101969|3.789674|6.326174|0.051103|0.055201|0.051659|0.060777|0.067983|0.070110|0.062287|0.076526|0.092632|0.087642|0.074086|0.124523|0.214187|0.500000| |1.918843|2.248802|2.465382|3.036359|3.254528|5.684535|5.643819|4.967925|5.672400|8.920572|17.702307|8.965826|7.040015|0.220084|4.721429|0.111046|3.917364|5.601367|4.336773|8.581340|4.528603|2.931762|0.088714|2.585061|2.211924|1.999454|1.771606|1.704231|1.817787|2.077842|2.996802|0.056717|2.540844|4.535006|4.808438|9.739313|0.050623|0.052473|0.050296|0.062025|0.065501|0.067102|0.063389|0.083379|0.092376|0.087031|0.080004|0.107888|0.124362|0.214528|0.500000| |2.098985|2.393859|2.868083|3.392395|4.389463|7.264103|4.295670|3.444790|2.907605|2.853274|3.287493|4.128673|4.723900|0.118447|7.466020|0.195425|7.744506|16.079235|9.302397|10.883982|25.885023|9.062462|0.182568|6.160605|4.489483|3.477612|2.883463|2.817292|3.238355|4.208282|6.694005|0.116983|7.281263|12.919009|10.160143|7.081276|0.059261|0.056552|0.052965|0.066954|0.063147|0.076005|0.082946|0.095743|0.085454|0.110921|0.135599|0.090983|0.071104|0.069320|0.085053|0.500000| |1.289893|1.398409|1.543147|1.695163|1.907570|2.889477|2.036881|1.830688|1.737447|1.803556|2.000260|2.146074|2.387221|0.069824|2.721491|0.078023|2.424745|4.411259|3.304640|6.045382|5.064652|4.497261|0.118292|6.927010|8.745475|17.718092|9.098180|5.673252|4.921856|5.552920|5.646624|0.097242|3.813263|5.507057|12.587874|3.829758|0.036299|0.035126|0.033789|0.039268|0.037807|0.041848|0.043861|0.047899|0.045299|0.051303|0.055063|0.048384|0.044647|0.047349|0.056509|0.092688|0.500000| |1.153173|1.230489|1.348455|1.449249|1.614370|2.374053|1.680061|1.551637|1.483989|1.520891|1.641534|1.733778|1.863392|0.053654|2.075786|0.058586|1.931080|3.534099|2.422628|4.402553|3.679394|3.218137|0.086437|4.140208|5.601553|9.002989|17.764121|8.814158|5.609912|4.901761|4.940754|0.091472|3.088711|4.641490|6.824094|3.037093|0.032554|0.031602|0.030300|0.034356|0.033251|0.036910|0.038442|0.040580|0.038782|0.044079|0.046637|0.041639|0.038793|0.040368|0.046023|0.070167|0.218440|0.500000| |1.167763|1.234561|1.362312|1.444415|1.622499|2.339674|1.648103|1.547634|1.473967|1.483956|1.572189|1.661077|1.738243|0.049141|1.943358|0.053769|1.870966|3.447880|2.257802|4.048359|3.491242|3.107170|0.083442|3.630568|4.953951|5.687724|8.853279|17.729668|9.036520|5.663346|5.772217|0.114907|3.302702|5.039765|5.554046|2.823773|0.033076|0.032252|0.030545|0.034153|0.033255|0.037694|0.039018|0.039932|0.038509|0.045007|0.047107|0.042121|0.038910|0.039350|0.043385|0.067967|0.124981|0.213957|0.500000| |1.328384|1.406420|1.580411|1.673780|1.926254|2.757771|1.920725|1.810407|1.699760|1.682215|1.770269|1.893746|1.948205|0.054141|2.222896|0.060213|2.197004|4.077893|2.627035|4.625189|4.217034|3.923149|0.103716|4.181673|5.595271|4.923507|5.589216|8.958454|17.741629|8.881218|9.917156|0.224149|4.768432|7.179547|5.912062|3.117888|0.037696|0.036897|0.034399|0.038565|0.037716|0.044101|0.045476|0.045696|0.044294|0.054152|0.056387|0.049744|0.044855|0.044128|0.047985|0.082943|0.107031|0.123625|0.217399|0.500000| |1.451656|1.599797|1.778644|1.999880|2.272280|3.554811|2.475682|2.150169|2.011786|2.106248|2.410320|2.660443|3.110825|0.091882|3.698170|0.109554|3.115091|5.642868|4.663742|8.319613|7.181092|5.938679|0.147981|10.059743|7.586831|7.459208|4.910952|3.915975|3.899729|4.892493|5.660629|0.095282|4.334036|6.257808|35.539135|4.918356|0.040763|0.039243|0.037891|0.045236|0.043200|0.047678|0.050466|0.057204|0.053222|0.059879|0.065663|0.056026|0.050748|0.054412|0.068257|0.125484|0.261967|0.120131|0.090066|0.089780|0.500000| |2.305480|2.827869|3.040672|3.987132|3.931249|6.957828|5.709923|4.360579|4.037244|4.529312|6.130380|7.571403|9.787441|0.219886|6.040729|0.159734|5.107031|7.235255|4.296465|7.155967|4.652227|2.791998|0.077908|2.511248|2.120880|1.926182|1.698509|1.622698|1.722723|1.971818|2.836150|0.053746|2.429130|4.393990|4.826303|35.717953|0.060997|0.060586|0.060604|0.082272|0.081286|0.077380|0.078252|0.122180|0.118870|0.094789|0.097669|0.101806|0.092709|0.107197|0.166665|0.093425|0.054933|0.044275|0.041307|0.045349|0.068801|0.500000| 1459.530054 -9775.610743 3859.264904 -195.128727 -4651.944513 3190.464553 -1461.479959 2.001336 3D6DE84000000006 44B5F0E32F09FDF4 443850C6936FEC00 41E419DD0D600001 4037000000000002 4376E0876C0D6319