Version2.0 2020-01-06T13:55:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc5cc(COc3ccc(NC(=O)[C@@H]1[C@@H](C(=O)NO)CCCN1CC2CC2)cc3)c4ccccc4n5 224440 CHEMBL336832 RHF 6-31G(d) (6D,7F) Cc5cc(COc3ccc(NC(=O)[C@@H]1[C@@H](C(=O)NO)CCCN1CC2CC2)cc3)c4ccccc4n5 C01[X(C28H32N4O4)] 198 C1 604 ONC(=O)[C@H]1CCCN([C@@H]1C(=O)Nc1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC1CC1 ONC(=O)[C@H]1CCCN([C@@H]1C(=O)Nc1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC1CC1 Cc1cc(COc2ccc(NC(=O)[C@@H]3[C@H](CCCN3CC4CC4)C(=O)NO)cc2)c5ccccc5n1 InChIKey=XORDSICOUVZNCB-AHWVRZQESA-N InChI=1S/C28H32N4O4/c1-18-15-20(23-5-2-3-7-25(23)29-18)17-36-22-12-10-21(11-13-22)30-28(34)26-24(27(33)31-35)6-4-14-32(26)16-19-8-9-19/h2-3,5,7,10-13,15,19,24,26,35H,4,6,8-9,14,16-17H2,1H3,(H,30,34)(H,31,33)/t24-,26-/m0/s1 InChI=1/C28H32N4O4/c1-18-15-20(23-5-2-3-7-25(23)29-18)17-36-22-12-10-21(11-13-22)30-28(34)26-24(27(33)31-35)6-4-14-32(26)16-19-8-9-19/h2-3,5,7,10-13,15,19,24,26,35H,4,6,8-9,14,16-17H2,1H3,(H,30,34)(H,31,33)/t24-,26-/m0/s1/f/h30-31H Cc5cc(COc3ccc(NC(=O)[C@@H]1[C@@H](C(=O)NO)CCCN1CC2CC2)cc3)c4ccccc4n5 C01[X(C28H32N4O4)] 198 C01 604 ONC(=O)[C@H]1CCCN([C@@H]1C(=O)Nc1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC1CC1 ONC(=O)[C@H]1CCCN([C@@H]1C(=O)Nc1ccc(cc1)OCC1=C[C@@H](C)N[C@H]2[C@@H]1C=CCC2)CC1CC1 C[C@H]1N[C@@H]2CCC=C[C@@H]2C(=C1)COc3ccc(NC(=O)[C@@H]4[C@H](CCCN4CC5CC5)C(=O)NO)cc3 InChIKey=QOYLASPKPZYTMG-BEGWYFQMSA-N InChI=1S/C28H38N4O4/c1-18-15-20(23-5-2-3-7-25(23)29-18)17-36-22-12-10-21(11-13-22)30-28(34)26-24(27(33)31-35)6-4-14-32(26)16-19-8-9-19/h2,5,10-13,15,18-19,23-26,29,35H,3-4,6-9,14,16-17H2,1H3,(H,30,34)(H,31,33)/t18-,23-,24+,25-,26+/m1/s1 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3204.1346 3207.2506 3211.3192 3223.0269 3227.1527 3239.0967 3250.2094 3253.6641 3263.3778 3276.8346 3283.0141 3306.8401 3315.2670 3319.8919 3340.3970 3354.2456 3360.7471 3373.7104 3381.9330 3387.9091 3394.9923 3397.5739 3400.6539 3403.4100 3419.6552 3457.3443 3819.6218 3835.2985 4009.6629 5.2088 5.7012 5.5394 3.7241 4.3500 5.1408 3.9137 5.3168 5.3193 4.9203 3.3828 2.8757 1.4746 4.0613 4.8014 3.3842 2.9783 3.9419 3.1768 3.2552 2.8979 2.7996 3.3238 3.7565 5.3077 3.2401 3.7259 3.5489 4.3720 3.3850 4.2994 2.4381 5.5412 3.1963 3.7561 3.5849 5.4109 2.4552 3.1766 3.5151 3.8293 4.2592 4.9257 4.3232 5.1469 4.9384 2.5172 3.0757 2.4178 5.3512 2.1621 3.4974 2.8158 4.6297 7.0393 4.9707 3.1945 3.5804 1.2484 3.4355 5.0495 4.8857 3.3124 1.3923 1.3689 4.1390 3.1102 1.7984 2.4582 1.5773 3.0751 1.3572 3.4642 2.3121 2.6389 2.0069 1.5852 1.7017 1.2832 2.8454 3.5283 4.4838 2.5849 2.0051 2.8365 1.5072 1.3356 2.7302 1.3376 2.7649 2.6014 2.2439 2.2324 1.3235 2.6969 2.2516 1.7058 1.6060 2.9775 1.3818 2.6898 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7.5468 7.4140 7.4348 7.5881 7.4746 7.4467 7.5260 7.7020 9.2672 9.3415 10.1025 0.3479 0.2240 0.2322 0.0071 0.1936 0.2261 0.2230 0.2958 0.5067 1.0620 6.5608 4.6559 1.6360 5.9807 2.4999 3.5871 0.0527 0.8661 3.8890 8.3627 20.5494 43.9349 6.1577 6.6721 21.8554 13.8665 12.3237 0.7020 1.4709 4.2671 1.1861 4.9929 14.0654 1.1020 4.1271 40.6408 1.6324 6.9994 0.5858 1.3248 3.1636 3.3425 1.2211 16.0848 1.9456 5.9930 3.3629 0.1471 7.6018 6.2156 93.7287 0.2668 64.1913 35.5957 6.0176 0.5843 0.1856 8.5472 84.2670 6.7310 2.0587 2.0795 48.6873 7.8248 55.9235 35.5548 7.5439 0.8494 5.3124 4.8962 61.1844 13.8761 9.7515 42.7722 25.4375 6.8620 11.4973 6.2513 24.1484 15.9191 18.8922 1.3281 1.2279 13.7307 9.6582 4.0393 1.2950 6.6927 1.4318 8.5100 4.3553 12.7092 5.0385 0.4341 14.2321 0.6615 1.2837 2.5342 74.3501 3.9904 39.3295 5.2969 8.9413 6.2522 45.7335 17.4756 44.0378 19.1131 22.0341 1.7382 12.8657 2.0222 15.9061 14.6119 1.2445 5.4826 2.3597 39.3885 16.7645 30.7054 156.0571 17.7170 433.8395 1.6159 36.9187 189.0563 8.6669 13.1391 15.9902 20.8853 7.4895 19.2683 14.7564 17.6836 50.0156 2.0062 2.9789 114.1303 8.7856 28.7424 32.8733 15.6248 11.0426 182.6326 23.8403 1.1092 9.6830 5.9810 4.3589 3.1966 5.9602 1.3075 92.0315 1.3848 1.6731 43.1045 45.4638 197.5188 810.7171 26.1829 48.4138 13.2554 9.3067 114.9685 293.9012 231.4946 40.2125 76.0105 17.7670 26.9626 27.2189 1.4930 29.0955 26.2797 32.7983 59.5808 27.1869 25.8444 35.2357 37.6637 26.6420 15.7571 14.7034 20.6394 24.7138 0.3546 24.2063 0.3111 32.9283 8.0288 39.3069 17.2039 17.5925 2.3344 1.4686 40.3664 111.5769 61.7962 6.0388 3.0626 0.0302 0.2517 0.3600 0.6533 3.0798 0.3785 0.6633 3.7947 2.4589 2.2442 2.7453 0.5066 0.9891 0.5456 2.3323 0.3433 1.4855 1.0574 0.8637 1.3908 0.7078 0.9778 1.0755 0.4194 1.6082 0.4881 0.7462 0.9484 0.8470 1.0655 1.1635 1.3728 0.8607 2.1989 5.6208 3.1230 0.7327 2.7060 2.0653 3.6717 5.6353 1.9268 5.8445 3.2431 2.5652 0.0400 0.4599 2.6017 1.5718 2.3119 1.7084 0.5639 5.8704 9.0557 0.1994 0.5172 1.2213 3.6902 0.2227 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215.71 255.07 273.31 284.10 302.96 311.64 321.09 353.19 357.31 397.97 429.75 451.53 479.93 488.32 492.81 519.87 526.56 562.01 578.28 617.41 649.21 667.87 680.48 683.95 693.73 715.75 765.52 784.71 802.16 832.27 836.45 848.41 866.57 891.16 895.84 922.89 961.00 1008.90 1018.24 1036.88 1067.07 1097.62 1136.36 1165.77 1200.29 1214.80 1222.50 1229.37 1234.19 1254.89 1271.64 1290.80 1314.03 1327.97 1333.89 1360.59 1364.92 1368.96 1385.54 1404.66 1434.91 1440.88 1450.57 1477.03 1486.87 1506.42 1525.26 1539.13 1542.74 1566.16 1568.47 1572.77 1588.61 1599.17 1606.57 1607.40 1618.38 1645.34 1665.24 1667.65 1679.54 1691.81 1711.35 1729.36 1732.51 1735.75 1752.54 1758.45 1763.47 1780.67 1812.77 1822.75 1827.15 1841.66 1880.42 1881.69 1887.84 1899.09 1905.23 1907.64 1923.34 1941.27 1954.62 1997.59 2002.43 2007.96 2038.67 2039.29 2062.73 2082.43 2089.92 2096.86 2113.51 2131.06 2142.67 2150.32 2175.14 2188.10 2192.34 2206.57 2228.83 2241.21 2250.41 2266.26 2270.70 2293.14 2298.98 2302.66 2325.09 2332.49 2342.93 2351.46 2357.58 2367.63 2377.10 2396.25 2399.24 2408.14 2418.93 2427.18 2440.84 2486.88 2576.15 2585.56 2624.46 2631.34 2646.56 2778.25 2835.28 4501.93 4534.09 4602.86 4610.04 4614.52 4620.37 4637.22 4643.15 4660.34 4676.33 4681.30 4695.27 4714.63 4723.53 4757.81 4769.93 4776.58 4806.09 4826.01 4835.37 4854.02 4865.85 4874.45 4884.64 4888.35 4892.78 4896.75 4920.12 4974.35 5495.58 5518.14 5769.01 0.609806 0.641053 0.641997 0.541536 -1595.522546 -1595.491299 -1595.490355 -1595.590816 3.369478D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2020 DUDE Cc5cc(COc3ccc(NC(=O)[C@@H]1[C@@H](C(=O)NO)CCCN1CC2CC2)cc3)c4ccccc4n5 224440 CHEMBL336832 RHF 6-31G(d) (6D,10F) C1 488.242356 |X|Y|Z| 162.149741 64.285734 36.235488 72.286133 30 6 7 8 26 3 1 |36.858105| |12.642928|36.858105| |7.531861|13.345467|36.858105| |5.049159|7.910579|14.082319|36.858105| |3.782799|4.991919|7.597296|12.619510|36.858105| |3.790108|4.605498|7.031664|8.010538|13.643457|73.516695| |3.023162|3.474280|4.694864|5.206568|8.011320|25.014140|36.858105| |2.865202|3.114633|4.010071|4.061623|5.261418|14.558016|13.693304|36.858105| |2.379271|2.543419|3.114224|3.188165|3.990311|9.413712|7.941498|13.855100|36.858105| |2.127298|2.308351|2.787512|2.963846|3.779519|8.167174|6.814201|7.899615|13.654177|36.858105| |1.849464|1.974941|2.314166|2.430312|2.957709|6.097392|4.529673|5.187991|7.950991|13.491607|53.358707| |1.666551|1.784238|2.059217|2.185348|2.625907|5.175387|3.667006|3.901271|5.168204|7.653637|19.246216|36.858105| |1.645045|1.781789|2.055283|2.221471|2.692612|5.144921|3.604037|3.603896|4.443530|6.504647|11.441370|15.808172|73.516695| |1.497442|1.580498|1.791337|1.872291|2.181337|4.264397|2.891335|3.128852|3.988538|5.006511|10.665922|12.422251|14.268466|36.858105| |1.410913|1.492470|1.680110|1.765328|2.044479|3.923688|2.615986|2.757141|3.377725|4.186836|7.979992|8.991550|13.377617|17.522344|0.500000| |1.450266|1.525660|1.718598|1.790307|2.065277|4.013365|2.675614|2.881401|3.564912|4.264869|8.004060|7.792223|11.287647|12.254787|0.245945|36.858105| |1.546308|1.625866|1.842958|1.913126|2.217546|4.369028|2.942717|3.224428|4.059348|4.794510|8.852028|7.553646|10.759321|8.815093|0.175403|17.533678|0.500000| |1.387003|1.470621|1.649107|1.738815|2.004272|3.799282|2.497272|2.583963|3.061202|3.699557|6.315138|6.317087|11.471867|7.576534|0.206371|12.503504|0.246604|36.858105| |1.290082|1.366436|1.520219|1.604129|1.831931|3.430493|2.220884|2.274360|2.641323|3.140555|5.218616|5.095919|9.565214|6.259387|0.199802|7.966877|0.163133|15.908470|73.516695| |1.443466|1.539758|1.731461|1.837807|2.127670|4.003007|2.623964|2.666510|3.093242|3.724639|5.921064|5.488695|10.723871|5.459568|0.142614|7.801892|0.213547|13.953412|15.095431|53.358707| |1.372207|1.470618|1.641153|1.755845|2.017236|3.707323|2.380284|2.356203|2.641993|3.132537|4.735015|4.259713|8.807240|4.152775|0.115919|5.158834|0.137524|8.227680|13.000358|18.874117|73.516695| |1.333399|1.386925|1.542396|1.588084|1.795050|3.476207|2.258740|2.450308|2.946910|3.302898|5.786471|4.970186|7.554286|7.403262|0.178310|12.433565|0.248190|7.681221|11.591252|7.439460|7.322796|36.858105| |1.358157|1.399724|1.554947|1.582219|1.777318|3.490184|2.263622|2.523385|3.069458|3.301123|5.794550|4.538678|6.591676|6.523276|0.150754|7.635562|0.190643|4.981561|7.852722|5.427542|5.629659|12.530710|36.858105| |1.378115|1.423525|1.586183|1.617640|1.825661|3.592298|2.346574|2.621485|3.231480|3.523880|6.407878|5.032230|7.042911|7.727395|0.182280|6.554819|0.156726|4.495982|7.395026|4.853890|5.183822|7.676672|12.544832|36.858105| |1.501189|1.566140|1.768450|1.819879|2.094152|4.157198|2.793598|3.136372|4.046392|4.676989|9.609975|7.707205|9.507006|13.036043|0.249841|7.511309|0.181933|4.980739|7.853810|5.396703|5.658371|6.489588|7.687456|13.040700|53.358707| |1.488609|1.555164|1.752474|1.807067|2.074691|4.089626|2.726181|3.016052|3.783866|4.339289|8.138404|6.309349|8.554529|7.948973|0.206845|5.000414|0.124256|3.916387|6.578429|4.411309|4.891290|4.475891|5.046909|7.918398|17.652867|36.858105| |1.511552|1.561117|1.750355|1.777837|2.012075|4.007333|2.626696|2.973874|3.654709|3.855926|6.538447|4.509835|6.460357|5.072807|0.130455|3.782333|0.099642|3.049952|5.131957|3.598105|4.067765|3.592682|4.290786|6.271734|10.345054|12.595255|36.858105| |1.542428|1.594232|1.783614|1.811193|2.039318|4.036557|2.609158|2.904812|3.423968|3.550503|5.534485|3.776482|5.728634|3.894905|0.104387|3.023352|0.080749|2.576622|4.395306|3.126065|3.628486|2.835017|3.212622|4.216669|6.749594|7.341392|12.711535|36.858105| |1.686306|1.736034|1.963345|1.975337|2.240703|4.565033|3.009325|3.524593|4.350796|4.297736|6.744905|4.205410|6.108079|4.222814|0.105763|3.312028|0.091665|2.724221|4.502305|3.345866|3.804488|3.063506|3.575370|4.610513|7.680992|7.273256|12.710970|12.717539|36.858105| |2.190583|2.444858|2.991657|3.333176|4.501461|9.199042|7.902758|6.883462|7.972236|13.772720|10.498163|6.263092|11.611003|4.185501|0.103988|3.677330|0.111082|3.461928|5.345308|4.920368|5.673606|2.877204|2.778925|2.933262|5.078150|3.595258|3.183068|3.053148|3.457739|36.858105| |2.558337|2.947955|3.774015|4.398773|6.704884|13.948524|13.785361|7.971867|6.915346|7.914148|6.954068|4.303262|7.950148|3.214975|0.081665|2.935183|0.088596|2.807633|4.429867|4.050846|4.833334|2.406482|2.351202|2.450751|4.051912|2.912309|2.698214|2.663859|2.992870|13.687133|36.858105| |4.479950|6.938540|7.965882|13.295658|7.494469|9.122649|3.890619|3.154813|2.619361|2.513215|2.888612|1.955353|3.578651|1.694882|0.044911|1.628608|0.047884|1.604019|2.657530|2.311042|2.929483|1.453955|1.438409|1.468070|2.228883|1.631886|1.598439|1.631980|1.749680|2.841295|3.581991|36.858105| |3.361826|4.579215|5.123782|7.566452|6.408438|7.791155|3.600758|2.892062|2.480204|2.463220|2.857320|1.970752|3.673113|1.701737|0.045501|1.634617|0.047718|1.633307|2.721316|2.363173|3.035256|1.452066|1.421404|1.452116|2.209549|1.621497|1.569215|1.600879|1.696073|2.858394|3.563283|13.430370|36.858105| |2.976280|3.859308|3.963004|5.079954|4.395803|5.936623|2.867566|2.397064|2.110140|2.109763|2.506089|1.752599|3.273119|1.536022|0.041385|1.482612|0.042990|1.491948|2.507721|2.154237|2.795568|1.329193|1.298332|1.323819|1.995167|1.466943|1.420676|1.450575|1.521422|2.409086|2.874391|7.881766|13.996256|36.858105| |3.164724|4.061760|3.828690|4.504086|3.675294|5.238101|2.520440|2.169980|1.913338|1.885498|2.262595|1.578240|2.916211|1.400954|0.037713|1.357271|0.039357|1.358828|2.288791|1.953341|2.528426|1.229426|1.207957|1.228990|1.836121|1.349755|1.318723|1.348095|1.414119|2.101628|2.463578|6.807895|7.922643|13.489819|36.858105| |3.990321|5.357198|4.610018|5.113994|3.828114|5.557548|2.602343|2.264109|1.967745|1.902240|2.272565|1.567477|2.864418|1.394730|0.037324|1.351581|0.039374|1.340214|2.248347|1.921438|2.464697|1.228521|1.215933|1.236168|1.843412|1.353087|1.332907|1.363416|1.440841|2.089848|2.462550|7.824238|6.848793|7.926148|14.007238|36.858105| |5.202684|8.352418|7.012394|7.865348|5.000875|7.059796|3.135072|2.685054|2.269316|2.158023|2.533308|1.722280|3.127850|1.518951|0.040341|1.467165|0.043024|1.442509|2.402048|2.068956|2.627554|1.326564|1.318657|1.342164|2.014028|1.475403|1.457563|1.490339|1.592105|2.372023|2.869189|13.564873|7.842128|6.823588|7.899207|13.455153|36.858105| |7.929817|14.767048|7.983176|6.795514|4.417027|6.816211|3.015598|2.674760|2.246390|2.090469|2.464255|1.660958|2.978669|1.476990|0.039047|1.429028|0.042035|1.391854|2.313675|1.987208|2.505010|1.301516|1.304823|1.326162|1.979078|1.447522|1.444690|1.477204|1.588585|2.242031|2.675171|7.841980|5.150998|4.589736|5.254114|8.021279|14.007460|53.358707| |17.536440|8.871116|6.741538|4.641964|3.650009|6.727097|3.055589|2.953864|2.450143|2.167826|2.568192|1.689647|2.944424|1.521319|0.039790|1.461771|0.043196|1.388481|2.298253|1.951714|2.412293|1.346573|1.381353|1.411122|2.094214|1.536121|1.574929|1.619818|1.774575|2.208324|2.561733|4.014447|3.100175|2.739969|2.865019|3.499389|4.434672|8.301925|0.500000| |17.626276|8.934039|5.564663|4.197421|3.223597|5.614318|2.598234|2.466799|2.097250|1.902370|2.281072|1.525915|2.686839|1.381580|0.036345|1.341967|0.039562|1.289829|2.143647|1.825597|2.279992|1.240721|1.261383|1.278187|1.883325|1.374188|1.394669|1.424357|1.543633|1.961378|2.258438|4.023414|3.121474|2.870071|3.159291|4.053243|4.952882|10.426243|0.299961|0.500000| |17.536511|8.871419|6.740387|4.641676|3.649530|6.725637|3.055032|2.953693|2.450220|2.167626|2.567482|1.693225|2.958118|1.525029|0.039706|1.488657|0.044372|1.419048|2.335867|2.017481|2.494990|1.371234|1.398661|1.408960|2.082351|1.503152|1.525055|1.541466|1.699064|2.207817|2.561166|4.014656|3.100377|2.740232|2.865379|3.499910|4.435229|8.303308|0.302263|0.299968|0.500000| |7.023989|8.799470|17.776474|9.025716|6.986019|14.414446|5.304569|4.751357|3.538962|3.044147|3.402596|2.182901|3.817231|1.897116|0.048982|1.816081|0.054465|1.720286|2.802313|2.448629|2.996081|1.629808|1.657502|1.691781|2.573591|1.867055|1.879344|1.909522|2.135457|3.178816|3.987870|5.639111|4.125876|3.291059|3.156705|3.662053|5.030653|7.781389|0.192342|0.140817|0.192271|0.500000| |3.353308|4.308427|5.937236|8.924835|17.539552|16.586288|7.125281|4.803711|3.826053|3.760847|4.037523|2.680346|4.976405|2.215014|0.057719|2.129060|0.063775|2.096342|3.392411|3.083422|3.850356|1.837641|1.795255|1.824395|2.843606|2.042545|1.950705|1.949710|2.134856|4.613297|6.807469|6.761496|6.528282|4.516816|3.668554|3.694207|4.611129|5.419033|0.088022|0.081283|0.092011|0.152177|0.500000| |3.353743|4.309168|5.938229|8.926296|17.539268|16.585592|7.123595|4.801178|3.823617|3.759658|4.038473|2.665117|4.909824|2.202953|0.057959|2.051765|0.060397|2.000592|3.279057|2.861461|3.564037|1.778939|1.758569|1.828642|2.873257|2.127263|2.058234|2.115964|2.290559|4.614314|6.809321|6.762410|6.527836|4.516757|3.668810|3.694684|4.611926|5.420031|0.092030|0.081295|0.088020|0.152193|0.301431|0.500000| |3.172966|3.347136|4.298983|4.070740|4.869134|13.455092|8.945580|17.738092|8.925405|5.623144|5.724199|3.282423|5.378831|2.760607|0.068077|2.581287|0.079919|2.312031|3.651753|3.234945|3.761260|2.258893|2.360686|2.435595|3.852073|2.729870|2.770384|2.726832|3.317259|4.959085|5.672510|3.124097|2.778822|2.320663|2.142516|2.277006|2.725917|3.806651|0.092257|0.074693|0.092269|0.150024|0.120547|0.120460|0.500000| |2.253876|2.350672|2.806019|2.797986|3.336091|7.618077|5.654034|8.986582|17.696345|8.885903|9.993431|4.847006|7.110487|4.039610|0.093412|3.634506|0.115811|3.008287|4.618647|4.052265|4.472526|3.095939|3.360189|3.539654|5.940086|3.991111|4.011565|3.644953|4.911861|5.657823|4.972365|2.335526|2.200839|1.902911|1.749972|1.808613|2.069080|2.826298|0.064927|0.055512|0.064945|0.088948|0.088836|0.088750|0.215991|0.500000| |1.809097|1.904045|2.210468|2.277589|2.706783|5.629813|4.047058|4.882158|7.525473|9.223228|25.993976|9.632738|10.934941|7.768724|0.156033|5.843427|0.180331|4.306493|6.413967|5.344730|5.586682|4.508686|4.884907|5.580943|11.882206|6.856972|5.741746|4.537163|5.980401|5.722103|4.262307|1.988874|1.946319|1.717942|1.568227|1.586079|1.766791|2.365576|0.051582|0.045587|0.051450|0.066900|0.074504|0.074877|0.115425|0.230146|0.500000| |1.560509|1.674789|1.903631|2.032029|2.389723|4.527805|3.023927|3.056990|3.578689|4.435214|6.905913|6.280717|12.592208|5.519183|0.137475|7.225858|0.224279|9.490806|11.222845|25.955964|17.325523|4.863603|3.809668|3.485763|5.492083|3.311044|2.718268|2.377430|2.585678|4.342291|3.489443|1.860091|1.899655|1.713793|1.544420|1.520970|1.649750|2.151583|0.042997|0.040058|0.044577|0.055102|0.071245|0.065241|0.074392|0.093621|0.122217|0.500000| |1.331508|1.427922|1.590769|1.705430|1.958634|3.583947|2.299865|2.269249|2.548104|3.046850|4.661933|4.320670|9.183484|4.285499|0.125926|5.045541|0.127121|8.319569|15.537759|13.805928|35.501126|4.053983|3.120774|2.953674|4.407687|2.854717|2.341953|2.096826|2.163709|3.123679|2.644715|1.606671|1.671881|1.544783|1.395670|1.356375|1.441560|1.867004|0.036690|0.034622|0.037644|0.045277|0.058004|0.054662|0.056552|0.067368|0.085802|0.212561|0.500000| |1.308301|1.357885|1.503710|1.544843|1.734737|3.345791|2.151035|2.321819|2.738677|3.011687|5.032459|4.172860|6.622674|5.447003|0.134821|8.870051|0.220205|6.946960|10.424059|7.560506|7.507473|17.552889|8.793084|5.537538|6.598762|3.592594|3.024940|2.464705|2.672139|2.667202|2.275113|1.418830|1.416044|1.300145|1.205915|1.205654|1.299203|1.737186|0.036540|0.033887|0.037527|0.044060|0.049639|0.047401|0.059962|0.079673|0.107289|0.134120|0.111401|0.500000| |1.255681|1.307310|1.446337|1.493610|1.680765|3.218948|2.072838|2.215901|2.619654|2.947264|5.060075|4.450806|7.061451|6.603989|0.183947|8.863425|0.175015|7.232534|13.044618|6.751100|7.111776|17.571648|8.864246|6.977362|7.841821|4.339309|3.448634|2.761098|2.875242|2.636248|2.222813|1.378399|1.384277|1.274658|1.179533|1.174197|1.260712|1.679110|0.035238|0.032585|0.035711|0.042201|0.047742|0.046617|0.056874|0.075515|0.107404|0.119299|0.113876|0.302859|0.500000| |1.440078|1.478988|1.649032|1.667402|1.874020|3.727283|2.427095|2.763038|3.401978|3.552999|6.159442|4.507808|6.466202|5.854121|0.129688|6.908691|0.203709|4.550690|6.900043|5.301342|5.447813|8.829392|17.525912|8.876651|9.437914|4.632121|4.144177|3.146694|3.663724|2.916089|2.480068|1.503594|1.474718|1.340489|1.248972|1.263531|1.378034|1.864580|0.040691|0.037006|0.041430|0.049196|0.052532|0.051031|0.072239|0.106370|0.149080|0.107068|0.082105|0.211439|0.173363|0.500000| |1.275491|1.307121|1.439704|1.458213|1.619490|3.159374|2.016447|2.232981|2.646378|2.788665|4.676998|3.618016|5.478617|4.849529|0.120807|5.526138|0.140872|4.120801|6.825883|4.635061|5.004081|8.839298|17.548670|8.916294|7.624505|4.196564|3.778652|2.914611|3.170744|2.400391|2.076637|1.333526|1.316666|1.210020|1.131888|1.140350|1.231326|1.663312|0.036041|0.033053|0.036496|0.042519|0.045370|0.044494|0.058851|0.080309|0.107500|0.089406|0.077273|0.210689|0.213243|0.302408|0.500000| |1.383364|1.418165|1.574946|1.591619|1.781777|3.527574|2.284603|2.587520|3.162406|3.310427|5.767679|4.228654|6.035868|5.659690|0.137432|4.901503|0.126340|3.607752|5.983254|4.098488|4.481647|5.565622|8.905584|17.617627|12.547866|7.236102|7.129384|4.594980|5.157761|2.741648|2.338031|1.440713|1.415024|1.290530|1.204411|1.217493|1.324031|1.791992|0.039555|0.035639|0.039302|0.046884|0.049024|0.049507|0.067890|0.098670|0.143220|0.083020|0.070529|0.123861|0.142331|0.215253|0.215642|0.500000| |1.291111|1.335595|1.479434|1.514643|1.701185|3.302034|2.133734|2.334293|2.805657|3.087795|5.430970|4.459227|6.585531|6.755296|0.186124|5.753153|0.131177|4.354684|7.655604|4.606990|5.068563|6.974837|8.902240|17.418404|12.279096|7.257548|5.637579|4.005544|4.051344|2.666849|2.249019|1.387203|1.380765|1.266792|1.176566|1.178504|1.271512|1.704610|0.036685|0.033419|0.036521|0.043508|0.047293|0.047641|0.060344|0.083302|0.124023|0.089761|0.081886|0.142000|0.209365|0.174004|0.216808|0.302400|0.500000| |1.378448|1.439759|1.608149|1.662609|1.891721|3.665770|2.399702|2.593403|3.136848|3.579384|6.346066|5.253403|7.732742|6.906480|0.211922|4.637064|0.110734|3.831352|6.774756|4.230108|4.797860|4.357618|4.734130|7.307667|12.304058|17.440909|8.905936|6.283493|5.484725|3.121082|2.579773|1.519150|1.519822|1.386926|1.278269|1.275746|1.380025|1.838048|0.039417|0.035561|0.038570|0.047191|0.051968|0.054088|0.065804|0.090400|0.139807|0.085916|0.079171|0.096990|0.125038|0.114891|0.113951|0.180244|0.225392|0.500000| |1.565834|1.651949|1.877797|1.957040|2.280904|4.489849|3.043891|3.314052|4.186935|5.072227|9.550126|7.469362|10.162951|7.672439|0.204965|4.739219|0.120331|3.902990|6.515254|4.507246|5.049024|3.968978|4.189305|5.721019|12.448076|17.589977|9.006124|7.128125|6.974802|4.247702|3.336832|1.762272|1.760083|1.582757|1.444921|1.443401|1.578239|2.093590|0.044878|0.040028|0.043713|0.055434|0.062236|0.065733|0.081403|0.117448|0.203182|0.096071|0.082305|0.091037|0.106556|0.110407|0.097658|0.145127|0.148204|0.303871|0.500000| |1.427875|1.463029|1.625318|1.639420|1.831865|3.631122|2.340730|2.647088|3.183753|3.280719|5.439980|3.820279|5.596913|4.471214|0.116067|3.558030|0.093543|2.868512|4.872304|3.378393|3.833560|3.585554|4.493582|6.662116|9.029247|8.657589|17.705766|8.740589|8.700090|2.749880|2.378087|1.481603|1.451411|1.322074|1.234880|1.250499|1.362160|1.846040|0.041297|0.036751|0.040145|0.048432|0.049486|0.051689|0.069779|0.098321|0.132076|0.069935|0.061102|0.084362|0.096357|0.119006|0.114360|0.242003|0.169055|0.208170|0.173215|0.500000| |1.470109|1.507852|1.669079|1.683145|1.866746|3.667070|2.320984|2.566444|2.937285|2.981019|4.523665|3.124827|4.858404|3.261579|0.088528|2.641139|0.070666|2.285314|3.939428|2.791883|3.277070|2.544049|2.893625|3.697572|5.513023|5.477139|8.583615|17.713958|8.571879|2.618321|2.342296|1.526640|1.494212|1.363290|1.275832|1.292935|1.407006|1.906820|0.043011|0.037898|0.040752|0.049512|0.049487|0.053703|0.068222|0.087100|0.101992|0.058536|0.052556|0.062285|0.069464|0.078610|0.074942|0.114456|0.099758|0.141702|0.143381|0.215416|0.500000| |1.556266|1.624284|1.823269|1.872775|2.125481|4.161292|2.698725|2.927622|3.411235|3.656349|5.604430|3.913721|6.094841|3.880501|0.106994|2.969070|0.078762|2.596716|4.464314|3.162831|3.710394|2.716008|2.961694|3.795732|6.274328|6.884824|8.581568|17.697613|8.602346|3.243711|2.815093|1.694223|1.675592|1.517193|1.401383|1.409334|1.537765|2.058345|0.045319|0.039935|0.042945|0.053825|0.056396|0.062124|0.075145|0.097041|0.121299|0.067051|0.060050|0.065770|0.074167|0.080056|0.074279|0.109153|0.102330|0.171119|0.215150|0.172335|0.293307|0.500000| |1.831130|1.903182|2.186746|2.213825|2.561253|5.314418|3.616370|4.332493|5.606410|5.518538|8.425366|4.837058|6.928765|4.466509|0.109400|3.466643|0.097981|2.862641|4.652993|3.571435|4.040185|3.071491|3.469117|4.294537|7.642304|6.783274|8.573810|8.618520|17.704423|4.239339|3.595728|1.935842|1.873008|1.661649|1.533341|1.562770|1.741283|2.356213|0.053507|0.046198|0.051220|0.066480|0.067416|0.072896|0.109885|0.173674|0.206259|0.078190|0.063542|0.074860|0.079048|0.100480|0.083884|0.125998|0.103879|0.139573|0.206165|0.171514|0.171316|0.212129|0.500000| |1.697718|1.725403|1.937464|1.920420|2.144689|4.393491|2.837575|3.375187|4.041587|3.776193|5.686840|3.544349|5.255459|3.592134|0.089913|2.978421|0.083769|2.463055|4.069621|3.064930|3.500821|2.833882|3.369380|4.162416|6.387670|5.426564|8.578497|8.577511|17.707939|3.070411|2.742507|1.698110|1.630504|1.466179|1.373925|1.409489|1.559426|2.138781|0.049898|0.043183|0.047699|0.058939|0.056521|0.060281|0.091431|0.131310|0.139795|0.065615|0.054883|0.069963|0.073500|0.098012|0.085020|0.134746|0.101260|0.122045|0.140597|0.213965|0.209763|0.171152|0.293112|0.500000| |1.989238|2.219745|2.655536|2.984420|3.908441|7.438345|5.648997|4.965476|5.661456|8.937123|9.516040|6.821121|14.907137|4.413753|0.113617|3.844270|0.112311|3.794741|5.915025|5.409941|6.364398|2.949815|2.766017|2.926634|5.070876|3.615540|3.087583|2.953476|3.218647|17.819322|8.936023|2.637923|2.729255|2.342194|2.031110|1.989443|2.216629|2.822598|0.055453|0.050079|0.055440|0.076718|0.113985|0.114024|0.107765|0.124226|0.143050|0.132921|0.099098|0.075595|0.076270|0.078806|0.066388|0.074610|0.075347|0.089355|0.120331|0.074230|0.070482|0.088586|0.106408|0.078616|0.500000| |2.530476|2.985935|3.789805|4.685782|7.406268|12.435425|8.885295|5.647250|4.977990|5.663661|5.655098|3.750810|7.238350|2.882161|0.075077|2.662951|0.079039|2.626692|4.213965|3.826719|4.711122|2.206858|2.130154|2.211703|3.592818|2.607016|2.408720|2.401831|2.621791|8.988201|17.762675|3.963722|4.149685|3.283751|2.723305|2.663165|3.078321|3.781994|0.069550|0.062628|0.069530|0.106165|0.226278|0.226609|0.124248|0.107920|0.097915|0.090495|0.072017|0.058334|0.057359|0.061681|0.052791|0.058467|0.057249|0.065560|0.082577|0.059511|0.059374|0.071110|0.085281|0.066989|0.218425|0.500000| |3.010444|3.938877|4.640095|6.877956|7.235921|8.427398|4.023752|3.124681|2.695096|2.734851|3.138879|2.173550|4.102639|1.850009|0.049517|1.769328|0.051618|1.777453|2.954774|2.581964|3.322397|1.554689|1.512355|1.548658|2.377860|1.744920|1.671687|1.701579|1.801465|3.278243|4.178924|8.794473|17.728171|9.048038|5.643027|4.940432|5.593621|5.655500|0.078661|0.076842|0.078665|0.109326|0.220515|0.220413|0.081162|0.065417|0.058621|0.058045|0.050913|0.041981|0.041161|0.043496|0.038706|0.041680|0.040899|0.045363|0.053052|0.042688|0.043802|0.049776|0.055643|0.047679|0.087730|0.143054|0.500000| |2.551208|3.178415|3.297868|4.115530|3.836235|5.323649|2.662543|2.238894|2.007161|2.039361|2.446835|1.732449|3.266245|1.520907|0.041243|1.469010|0.042366|1.491780|2.520792|2.156476|2.825272|1.316020|1.277760|1.303172|1.962702|1.444994|1.390527|1.418433|1.476712|2.343306|2.745269|5.614159|9.005280|17.719560|8.829867|5.651800|4.926511|4.962187|0.066128|0.068614|0.066134|0.078788|0.112056|0.112046|0.059603|0.050337|0.046425|0.047488|0.043529|0.035756|0.035207|0.036466|0.033098|0.035157|0.034798|0.038153|0.043359|0.035947|0.037024|0.041363|0.044669|0.039359|0.064404|0.088019|0.218339|0.500000| |2.764850|3.379156|3.163169|3.591158|3.056718|4.497207|2.214815|1.936260|1.731834|1.715650|2.083524|1.464459|2.709186|1.310220|0.035424|1.272539|0.036751|1.279058|2.165446|1.835727|2.389179|1.158557|1.136671|1.155306|1.716972|1.263331|1.233984|1.261327|1.315426|1.900097|2.185449|4.918172|5.651319|8.835361|17.717219|9.002264|5.620242|5.775274|0.070204|0.078022|0.070214|0.074666|0.085401|0.085405|0.053103|0.044316|0.040225|0.040083|0.036709|0.031615|0.030987|0.032544|0.029689|0.031448|0.030841|0.033401|0.037444|0.032208|0.033279|0.036408|0.039384|0.035527|0.051456|0.066706|0.124447|0.213768|0.500000| 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