Version2.2 2021-02-10T03:05:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 31-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](CO)[NH2+]Cc1ccc(cc1)OC[C@@H](c2ccc3c(c2)n(c(=O)n3C)C)O C40721995 RHF 6-31G(d) (6D,7F) CC[C@@H](CO)[NH2+]Cc1ccc(cc1)OC[C@@H](c2ccc3c(c2)n(c(=O)n3C)C)O C01[X(C22H30N3O4)] 171 C1 495 CC[C@H]([NH2+]Cc1ccc(cc1)OC[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)O)CO CC[C@H]([NH2+]Cc1ccc(cc1)OC[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)O)CO CC[C@@H](CO)[NH2+]Cc1ccc(OC[C@H](O)c2ccc3N(C)C(=O)N(C)c3c2)cc1 InChIKey=YJKCWCORFLGOQQ-UWJYYQICSA-O InChI=1S/C22H29N3O4/c1-4-17(13-26)23-12-15-5-8-18(9-6-15)29-14-21(27)16-7-10-19-20(11-16)25(3)22(28)24(19)2/h5-11,17,21,23,26-27H,4,12-14H2,1-3H3/p+1/t17-,21-/m0/s1 InChI=1/C22H29N3O4/c1-4-17(13-26)23-12-15-5-8-18(9-6-15)29-14-21(27)16-7-10-19-20(11-16)25(3)22(28)24(19)2/h5-11,17,21,23,26-27H,4,12-14H2,1-3H3/p+1/t17-,21-/m0/s1/fC22H30N3O4/h23H/q+1 CC[C@@H](CO)[NH2+]Cc1ccc(cc1)OC[C@@H](c2ccc3c(c2)n(c(=O)n3C)C)O C01[X(C22H30N3O4)] 171 C01 495 CC[C@H]([NH2+]Cc1ccc(cc1)OC[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)O)CO CC[C@H]([NH2]C[C]1[CH][CH][C]([CH][CH]1)OC[C@@H]([C]1[CH][CH][C]2[C]([CH]1)N(C)C(=O)N2C)O)CO CC[C@@H](CO)[NH2]C[C]1[CH][CH][C]([CH][CH]1)OC[C@H](O)[C]2[CH][CH][C]3[C]([CH]2)N(C)C(=O)N3C InChIKey=LUBZQUCKOJELGA-UWJYYQICSA-N InChI=1S/C22H30N3O4/c1-4-17(13-26)23-12-15-5-8-18(9-6-15)29-14-21(27)16-7-10-19-20(11-16)25(3)22(28)24(19)2/h5-11,17,21,26-27H,4,12-14,23H2,1-3H3/t17-,21-/m0/s1 InChI=1/C22H30N3O4/c1-4-17(13-26)23-12-15-5-8-18(9-6-15)29-14-21(27)16-7-10-19-20(11-16)25(3)22(28)24(19)2/h5-11,17,21,26-27H,4,12-14,23H2,1-3H3/t17-,21-/m0/s1 2584.3764256735 -1313.1940267 1-A 26476.0069 107 388 495 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.71770 -20.68199 -20.63198 -20.56992 -15.83333 -15.66103 -15.66017 -11.44251 -11.43558 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0.0761 0.6490 0.7695 0.8464 0.8453 0.5724 0.2392 0.5507 0.3678 0.7248 0.0601 0.6455 0.7581 0.8174 0.6740 0.5169 0.3773 0.1900 0.8454 0.8345 0.6829 0.8298 0.7762 0.3099 0.8563 0.1644 0.5829 0.8523 0.8339 0.0839 0.5245 0.2578 0.4625 0.3473 0.6687 0.5475 0.8384 0.5528 0.8422 0.7699 0.7972 0.6373 0.7053 0.4639 0.4721 0.8168 0.5197 0.8556 0.5909 0.4299 0.6330 0.1549 0.7166 0.8571 0.8564 0.5804 0.3825 0.6256 0.2849 0.4844 0.4228 0.2284 0.8567 0.8563 0.8563 0.8544 0.8505 0.5376 0.4197 0.4812 0.8545 0.8507 0.4184 0.8293 0.6997 0.8452 0.4517 0.4939 0.7986 0.8539 0.7753 0.7925 0.5906 0.4714 0.6522 0.4595 0.8554 0.6811 0.4156 0.8570 0.8569 0.8565 0.8442 0.8244 0.5936 0.8565 0.7361 0.7698 0.4223 0.8339 0.8521 0.7898 0.8287 0.6503 0.6048 0.7673 0.7611 0.0849 0.3717 0.0820 0.0807 0.8284 0.1380 0.1011 0.8330 0.5823 0.8558 0.5514 0.8552 0.7791 0.1249 0.8426 0.6962 0.5230 0.3665 0.7455 0.7090 0.7111 0.4567 0.8209 0.2853 0.3827 0.3748 0.0889 0.6126 0.4731 0.4754 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 6 6 6 1 6 8 7 1 1 6 6 6 6 6 6 6 8 6 6 1 6 6 6 6 6 6 7 6 8 7 6 6 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 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 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 4528.8502 45220.9781 45889.7935 1.00000 -0.00094 -0.00149 0.00099 0.99941 0.03442 0.00145 -0.03442 0.99941 1 0.01912 0.00192 0.00189 0.39850 0.03991 0.03933 16.21 17.24 27.12 46.97 47.28 65.95 97.00 119.83 133.86 139.68 164.98 176.89 191.80 199.85 206.79 213.63 218.59 250.05 271.86 288.33 345.20 359.14 389.70 393.55 398.81 434.75 446.51 456.24 471.89 488.75 517.88 546.92 567.45 579.46 614.51 643.74 668.85 702.74 715.78 748.57 769.89 835.85 853.94 896.11 902.96 954.76 981.90 1002.92 1026.83 1044.93 1137.76 1145.49 1172.47 1178.49 1216.04 1220.92 1238.45 1282.10 1327.72 1339.05 1341.82 1352.77 1361.88 1414.17 1416.35 1423.28 1468.38 1476.30 1514.58 1522.91 1541.19 1556.25 1568.85 1580.85 1587.86 1591.54 1608.08 1637.14 1661.16 1687.15 1716.59 1733.92 1751.20 1761.34 1792.09 1796.69 1797.48 1818.48 1822.43 1822.99 1829.14 1858.65 1870.11 1907.06 1925.71 1931.16 1961.04 1975.38 1988.76 1996.97 2036.19 2064.82 2083.06 2088.44 2101.00 2101.52 2114.55 2121.63 2137.62 2176.12 2188.96 2222.16 2227.27 2245.02 2263.37 2273.99 2282.72 2290.88 2298.05 2301.31 2309.40 2316.43 2346.54 2346.94 2362.03 2362.83 2364.34 2366.14 2375.02 2382.30 2386.77 2394.92 2423.76 2431.62 2444.89 2542.28 2596.71 2600.45 2607.33 2621.14 2837.07 4604.46 4613.33 4630.83 4635.04 4647.16 4652.00 4653.15 4679.75 4705.97 4713.00 4717.48 4718.94 4725.42 4731.12 4735.37 4748.58 4814.67 4820.68 4828.46 4829.71 4830.51 4843.60 4864.31 4888.62 4904.20 4919.08 5274.59 5389.71 5898.53 5907.35 0.543497 0.571287 0.572231 0.480440 -1312.650529 -1312.622740 -1312.621796 -1312.713586 3.078652D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE CC[C@@H](CO)[NH2+]Cc1ccc(cc1)OC[C@@H](c2ccc3c(c2)n(c(=O)n3C)C)O C40721995 RHF 6-31G(d) (6D,10F) C1 400.223632 |X|Y|Z| 39.615831 35.319169 153.813433 59.927272 18 6 7 8 15 2 1 |36.858105| |12.442479|36.858105| |7.376433|12.432315|36.858105| |6.810561|8.821589|17.592212|0.500000| |4.840309|7.474425|12.467764|0.245724|36.858105| |4.321777|6.304550|8.123428|0.161813|13.594410|73.516695| |6.240506|7.668977|12.645364|0.253303|7.777819|12.936016|53.358707| |5.503233|6.993357|9.293214|0.181869|7.439452|15.643990|25.643216|0.500000| |7.325069|7.390753|9.183706|0.215372|5.728873|9.672230|25.735320|0.327836|0.500000| |4.340670|4.899637|7.366209|0.194266|6.147948|10.150061|17.110488|0.256365|0.257278|36.858105| |3.691564|3.867266|4.926786|0.129802|4.276304|7.742201|10.497711|0.197077|0.206026|12.700247|36.858105| |3.544537|3.448924|4.111377|0.113926|3.455239|6.066860|7.873577|0.143463|0.177738|7.564267|13.630585|36.858105| |2.966941|2.854550|3.228857|0.088427|2.820906|5.088963|5.779959|0.112624|0.129179|5.035012|7.903649|13.877460|36.858105| |2.646740|2.620642|2.935934|0.078359|2.673626|5.003984|5.188164|0.107063|0.111019|4.435537|6.815152|7.927139|13.617242|36.858105| |2.701269|2.785148|3.187474|0.082865|2.998767|5.816074|5.752580|0.124319|0.116773|5.023311|7.881923|6.869504|7.908616|13.697630|36.858105| |3.124860|3.338451|4.042376|0.103111|3.809365|7.444385|7.849566|0.171164|0.149810|7.587116|13.749016|7.968226|6.895680|7.937873|13.746426|36.858105| |2.296111|2.248754|2.451142|0.065844|2.258714|4.220534|4.131462|0.085568|0.088607|3.389621|4.622758|5.326523|8.246581|14.337250|7.901904|5.222702|73.516695| |2.055165|2.042811|2.202906|0.058606|2.081305|3.956549|3.629579|0.076890|0.076285|2.918320|3.769941|3.979932|5.243638|7.979847|6.671924|4.494519|23.978604|36.858105| |1.836650|1.801977|1.909023|0.051237|1.801117|3.386467|3.060213|0.064200|0.064835|2.410245|2.971500|3.206310|4.095115|5.236119|4.390371|3.336077|14.276449|12.540142|36.858105| |1.779267|1.738142|1.851054|0.050233|1.742143|3.232699|2.947837|0.060965|0.062512|2.351294|2.884498|3.185060|4.101990|4.977561|4.038065|3.150415|13.437122|8.987829|17.523051|0.500000| |1.642317|1.629355|1.718101|0.045980|1.649453|3.121178|2.704709|0.057195|0.056521|2.114309|2.525081|2.627855|3.163284|3.914362|3.612709|2.862884|9.121185|7.631172|12.534008|0.247225|36.858105| |1.606589|1.597443|1.663798|0.044182|1.604329|3.065193|2.600309|0.055590|0.054286|1.991480|2.338086|2.390649|2.798078|3.399706|3.264160|2.656494|7.417489|5.800197|7.551763|0.156908|13.758446|36.858105| |1.457039|1.458435|1.515037|0.040264|1.477544|2.824213|2.332858|0.049906|0.048302|1.781092|2.045880|2.063485|2.349409|2.780687|2.745351|2.311620|5.777999|4.218552|4.989065|0.116408|7.849334|13.640857|36.858105| |1.365797|1.371859|1.435053|0.038373|1.407691|2.672560|2.195903|0.046658|0.045214|1.695675|1.935735|1.951707|2.209082|2.588537|2.558703|2.175924|5.337995|3.810612|4.449482|0.111143|6.897591|8.033243|13.882349|36.858105| |1.387141|1.391525|1.469213|0.039530|1.437661|2.708802|2.257339|0.047584|0.046472|1.769640|2.038108|2.074870|2.376738|2.796210|2.717150|2.285292|5.881973|4.217625|5.049035|0.133109|8.002701|6.939888|7.899439|13.621525|36.858105| |1.510415|1.506944|1.599351|0.043103|1.549809|2.911824|2.488886|0.052262|0.051553|1.968456|2.316008|2.396567|2.826787|3.400726|3.194828|2.603431|7.554807|5.697050|7.550979|0.201911|13.594448|7.892575|6.761401|7.889683|13.886072|36.858105| |1.276727|1.285034|1.358568|0.036714|1.338378|2.508554|2.064477|0.043334|0.042288|1.622231|1.839534|1.863984|2.096917|2.410140|2.364873|2.040871|4.913237|3.336520|3.786656|0.104417|5.113977|4.642946|5.380797|8.525079|13.775648|7.575322|53.358707| |1.205539|1.216370|1.277593|0.034427|1.264777|2.378829|1.926319|0.040599|0.039380|1.497953|1.677752|1.685517|1.869500|2.128675|2.118237|1.857640|4.251928|2.847714|3.162812|0.085188|4.157479|4.168421|5.279231|8.436057|8.433453|5.279859|18.832906|36.858105| |1.125710|1.137866|1.193988|0.032248|1.186906|2.225318|1.785833|0.037556|0.036415|1.386892|1.536540|1.539308|1.688126|1.895861|1.894770|1.688281|3.726033|2.432856|2.649558|0.072252|3.302831|3.309253|4.023767|5.575282|5.575228|4.025382|11.262938|15.914369|73.516695| |1.250759|1.260869|1.316586|0.035278|1.300782|2.463676|1.991479|0.042245|0.040814|1.534305|1.723475|1.726624|1.919733|2.204547|2.203133|1.920461|4.420511|3.018614|3.380350|0.087591|4.625051|5.124127|7.567368|13.777381|8.524160|5.378662|11.766668|13.847932|14.707585|53.358707| |1.189502|1.200925|1.244789|0.033272|1.234226|2.343828|1.867922|0.039750|0.038241|1.423866|1.580448|1.573823|1.727386|1.960201|1.976734|1.752310|3.856431|2.574483|2.818023|0.072706|3.629252|4.193736|6.016943|7.543302|5.230760|3.897571|7.209968|7.669204|11.671526|17.956488|36.858105| |1.240859|1.248797|1.327846|0.036133|1.309073|2.432218|2.009776|0.041850|0.041093|1.594465|1.800124|1.833373|2.053454|2.323129|2.263202|1.974713|4.688628|3.064908|3.404574|0.098551|4.190828|3.641139|3.899341|5.231681|7.542136|6.023591|17.966988|7.670687|11.685017|7.212669|3.870950|36.858105| |1.911207|1.845605|1.920504|0.051396|1.787544|3.359473|3.073657|0.064548|0.066238|2.355374|2.874458|3.150198|3.999407|4.817372|3.988203|3.140715|12.203251|8.156349|13.610253|0.258454|7.827515|6.669927|4.504983|3.809683|3.992674|5.201697|4.257178|2.741104|4.162987|4.068173|2.598623|2.812436|73.516695| |17.548610|8.745139|6.771404|0.204148|4.498875|6.807627|7.676622|0.131277|0.182033|4.264304|3.588447|3.549340|2.940516|2.567756|2.578212|2.969052|3.972528|1.982782|1.782453|0.048465|1.589791|1.542689|1.400290|1.320946|1.349862|1.472277|1.697904|1.174511|1.953654|1.649561|1.149408|1.220092|3.281625|0.500000| |17.524438|8.664154|6.452565|0.162008|4.371939|7.357749|9.074726|0.166420|0.248567|4.595757|4.127921|4.056455|3.398866|2.997105|3.019783|3.464381|4.585011|2.280263|2.026787|0.054274|1.790608|1.750510|1.571875|1.463504|1.486219|1.629821|1.847802|1.277634|2.110498|1.811018|1.261370|1.314239|3.789418|0.300513|0.500000| |17.595462|8.847617|5.444691|0.140988|4.057022|6.660791|6.396440|0.122341|0.146812|3.500288|3.086878|2.996611|2.600224|2.360163|2.399247|2.706722|3.716465|1.896208|1.717169|0.046130|1.548207|1.526507|1.392008|1.302689|1.315647|1.424069|1.651412|1.151537|1.915914|1.629791|1.145068|1.176591|3.198241|0.302522|0.304892|0.500000| |8.898227|17.566643|9.020948|0.213602|7.007704|9.928354|7.632575|0.144556|0.147373|4.073382|3.254704|2.941863|2.481902|2.295787|2.431101|2.865557|3.557662|1.835800|1.636594|0.044036|1.493780|1.466968|1.350394|1.276620|1.293832|1.392139|1.636899|1.142543|1.908934|1.607543|1.128999|1.172151|2.969508|0.209105|0.172557|0.218134|0.500000| |8.790581|17.554997|8.856338|0.173594|6.895032|12.486387|9.476459|0.206609|0.183358|4.521184|3.741069|3.279854|2.783604|2.626427|2.840009|3.381637|4.024342|2.085632|1.834261|0.048664|1.668628|1.651743|1.510217|1.412231|1.422238|1.534760|1.782213|1.244387|2.066629|1.765617|1.240282|1.264246|3.350853|0.172122|0.209757|0.210340|0.304559|0.500000| |4.029133|5.480181|8.781925|0.220828|17.560605|16.466386|9.194035|0.172278|0.140815|6.542728|4.399082|3.512063|2.847861|2.696834|3.037237|3.898184|4.037189|2.088803|1.802019|0.048750|1.652128|1.593604|1.470285|1.411610|1.451726|1.566141|1.847897|1.278546|2.136533|1.778709|1.234907|1.336509|3.141301|0.109096|0.103728|0.094898|0.145877|0.139136|0.500000| |4.620166|7.141939|8.916507|0.204862|17.583315|16.383079|7.674062|0.151368|0.127765|4.612181|3.455874|2.924216|2.450384|2.327345|2.565742|3.133510|3.568577|1.865391|1.638313|0.044110|1.511962|1.477856|1.370591|1.308160|1.331407|1.425923|1.695357|1.182964|1.981956|1.655025|1.159786|1.219306|2.902406|0.120444|0.111121|0.112496|0.221092|0.181731|0.301907|0.500000| |3.625318|5.006741|5.958546|0.130764|9.724454|35.701876|7.315017|0.173171|0.119050|4.641195|3.725786|2.982751|2.565864|2.562909|2.984658|3.711690|3.906236|2.092480|1.802458|0.047787|1.681974|1.659012|1.542819|1.465739|1.481164|1.579385|1.877125|1.314160|2.193629|1.850695|1.298893|1.337342|3.161868|0.090840|0.096150|0.090355|0.131668|0.154436|0.221003|0.229251|0.500000| |4.310871|4.670158|6.957273|0.217606|5.590635|8.433810|12.386466|0.181297|0.218072|17.624039|8.829393|7.075861|4.706772|3.952921|4.190941|5.646127|5.545438|2.665061|2.252844|0.062007|1.976129|1.850803|1.662076|1.593431|1.671486|1.857536|2.100486|1.423349|2.352758|1.971887|1.344224|1.529844|3.919976|0.125044|0.123200|0.096206|0.111520|0.113855|0.171863|0.122738|0.110824|0.500000| |3.774518|4.485647|6.734148|0.172447|6.891790|11.698455|12.383388|0.226335|0.181834|17.667286|8.849293|5.629924|4.198575|3.956877|4.705491|7.113780|5.521442|2.767398|2.286327|0.061785|2.045456|1.935312|1.750338|1.676537|1.746725|1.923997|2.194295|1.494494|2.468815|2.078440|1.420543|1.586621|3.920014|0.102042|0.107338|0.087269|0.107846|0.118385|0.226536|0.138751|0.151896|0.300681|0.500000| |3.795672|3.561984|4.229877|0.123250|3.427337|5.767680|7.656924|0.131561|0.180152|6.980910|8.854701|17.680010|9.005862|5.647431|4.947564|5.648481|7.654276|3.330493|2.816913|0.078876|2.341605|2.143233|1.870771|1.778402|1.887225|2.158735|2.331283|1.556233|2.543769|2.161202|1.455282|1.695719|4.993920|0.109953|0.119712|0.088101|0.084933|0.091010|0.096792|0.081730|0.078698|0.211795|0.142640|0.500000| |2.772117|2.602222|2.869871|0.079891|2.502432|4.456569|4.900956|0.094735|0.110953|4.092662|5.618682|8.910654|17.750657|8.944155|5.650592|4.966673|13.553281|4.872177|4.130172|0.119430|3.132757|2.744175|2.299221|2.168577|2.346505|2.807965|2.822583|1.842433|2.960258|2.565842|1.693476|2.042699|7.365724|0.077413|0.087895|0.068463|0.063665|0.070040|0.069981|0.061533|0.062981|0.111330|0.096573|0.215781|0.500000| |2.421512|2.520911|2.832983|0.073255|2.745954|5.429027|4.898934|0.108230|0.098043|4.108422|5.639398|4.955004|5.620736|8.860836|17.775429|8.958081|12.500956|7.369057|4.652739|0.114566|4.011508|3.664716|3.083689|2.860402|3.017135|3.527567|3.532575|2.326257|3.668181|3.321618|2.178210|2.444085|7.244042|0.063867|0.074250|0.060736|0.061967|0.072421|0.077135|0.066184|0.079213|0.096862|0.112150|0.107515|0.124030|0.500000| |3.012783|3.353342|4.097151|0.101895|4.129157|8.524460|7.615462|0.176949|0.136247|7.004775|8.905008|5.646808|4.961505|5.657172|8.975098|17.686000|7.484564|3.900834|2.979370|0.077692|2.658387|2.515149|2.234540|2.111422|2.194120|2.447066|2.692933|1.820916|2.958635|2.565115|1.734311|1.909311|4.975330|0.078659|0.090552|0.073127|0.080819|0.096253|0.118264|0.093325|0.120135|0.143173|0.213560|0.123822|0.107721|0.218290|0.500000| |1.951435|1.967755|2.148918|0.057337|2.065693|3.927389|3.510917|0.074306|0.072376|2.885197|3.682786|3.758857|4.722672|6.953378|6.578935|4.499920|16.519994|17.578068|8.860403|0.210949|7.148606|5.334067|4.154022|3.956953|4.558514|6.163868|4.968897|3.052217|4.625397|4.307982|2.654868|3.398699|10.316408|0.052512|0.059368|0.049940|0.049455|0.055680|0.058280|0.051397|0.058200|0.073268|0.077661|0.087647|0.119700|0.218053|0.111417|0.500000| |2.132821|2.132198|2.276939|0.059686|2.158144|4.179044|3.770088|0.081653|0.079114|2.954391|3.780898|3.839676|4.815115|7.161144|6.861155|4.650189|16.466343|17.585230|8.922425|0.175690|6.798639|6.100620|4.405058|3.781348|3.931522|4.933438|4.247416|2.755121|4.196958|4.086646|2.619675|2.801863|13.465483|0.056391|0.066070|0.054849|0.052969|0.061329|0.059493|0.053668|0.061402|0.073597|0.078174|0.089053|0.120870|0.227463|0.114728|0.299128|0.500000| |1.697957|1.679697|1.733907|0.045793|1.660590|3.188028|2.721038|0.058509|0.057216|2.053643|2.414510|2.471908|2.892542|3.502834|3.354578|2.736519|7.559013|5.718975|7.036124|0.143175|8.955472|17.738737|8.915043|5.695907|4.988425|5.631555|5.010550|3.410636|5.010545|5.601946|3.619687|3.024510|13.308496|0.045004|0.051756|0.044932|0.042655|0.048511|0.045447|0.042473|0.047729|0.052751|0.055057|0.061491|0.078666|0.103549|0.071710|0.136645|0.181783|0.500000| |1.421750|1.424523|1.467922|0.038881|1.435299|2.754068|2.245095|0.048237|0.046462|1.694079|1.923297|1.926778|2.162352|2.523209|2.520724|2.163135|5.110015|3.596559|4.075470|0.096520|5.606139|8.850882|17.732523|8.901931|5.613450|4.895015|5.928865|4.585227|6.556519|9.057538|6.360549|3.296913|6.957487|0.037810|0.042524|0.037942|0.036727|0.041177|0.039481|0.037145|0.041925|0.043871|0.046339|0.048789|0.058663|0.078214|0.058627|0.097292|0.107348|0.214475|0.500000| |1.510889|1.505345|1.609199|0.043677|1.556411|2.898573|2.503940|0.052098|0.051848|2.006324|2.367220|2.477819|2.941022|3.493200|3.216373|2.630969|7.787473|5.518128|6.985938|0.219809|8.823344|5.617021|4.893199|5.613555|8.921295|17.708190|9.097978|4.596017|6.573422|5.935549|3.298820|6.395119|8.492928|0.041182|0.045193|0.039420|0.038670|0.042285|0.043967|0.039730|0.043595|0.053024|0.054383|0.062208|0.081980|0.096516|0.068093|0.172275|0.125671|0.123795|0.106528|0.500000| |1.121880|1.134414|1.176898|0.031546|1.170870|2.215339|1.755481|0.037244|0.035853|1.340395|1.476982|1.469229|1.601312|1.799754|1.817244|1.627889|3.508210|2.301148|2.491589|0.065465|3.109619|3.438963|4.547539|5.662193|4.476379|3.409658|6.716927|7.509151|13.706222|12.647585|17.668519|3.806719|4.084097|0.030193|0.032905|0.030027|0.029738|0.032469|0.032626|0.030654|0.034200|0.035295|0.037259|0.037923|0.043669|0.055252|0.044897|0.066393|0.064460|0.083882|0.129922|0.083058|0.500000| |1.221136|1.238984|1.283378|0.034146|1.278138|2.443626|1.926678|0.041242|0.039314|1.463679|1.621570|1.599484|1.745847|1.992043|2.038848|1.812157|3.877320|2.600023|2.770555|0.070426|3.521633|4.170232|5.938655|6.657958|4.679672|3.654194|6.185200|5.967075|9.300641|12.415210|17.575346|3.439421|4.562531|0.032648|0.035958|0.032663|0.032337|0.035707|0.035457|0.033348|0.037721|0.038179|0.040721|0.040937|0.047143|0.063007|0.050225|0.074605|0.074925|0.102304|0.186024|0.086048|0.300122|0.500000| |1.176721|1.181638|1.217661|0.032560|1.201316|2.277150|1.824626|0.038786|0.037535|1.382180|1.532675|1.535909|1.688665|1.902708|1.899803|1.686844|3.758017|2.486758|2.771907|0.071429|3.528940|4.177783|5.948024|6.666686|4.689616|3.662990|6.199437|5.979635|9.315031|12.415051|17.576455|3.449921|4.666133|0.031574|0.034717|0.031565|0.030858|0.033906|0.033269|0.031417|0.034972|0.036315|0.038113|0.039601|0.046279|0.057616|0.046152|0.069801|0.070524|0.102529|0.186287|0.086299|0.300126|0.299528|0.500000| |1.289979|1.304065|1.397585|0.038058|1.382242|2.567697|2.122883|0.044167|0.043212|1.702132|1.929485|1.955327|2.188471|2.494191|2.449226|2.130775|4.997477|3.263865|3.491509|0.101710|4.168183|3.531521|3.654387|4.677866|6.653799|5.943568|12.414817|5.965994|9.307920|6.184639|3.438602|17.570433|5.018101|0.035269|0.037923|0.033828|0.033962|0.036614|0.039402|0.035633|0.039226|0.045316|0.047249|0.049974|0.059986|0.073818|0.057288|0.104024|0.081848|0.082275|0.086002|0.186925|0.093238|0.088248|0.084897|0.500000| |1.164019|1.173906|1.245271|0.033914|1.233214|2.288415|1.869843|0.038929|0.038136|1.477476|1.648564|1.670071|1.846220|2.063654|2.028690|1.798652|4.089143|2.625726|2.863244|0.082108|3.436304|3.118194|3.410989|4.477932|5.662126|4.551240|12.652115|7.513295|13.733087|6.721097|3.807446|17.668262|4.335896|0.031812|0.034095|0.030750|0.030739|0.033017|0.034988|0.032046|0.035092|0.039480|0.041005|0.043179|0.050960|0.060616|0.048691|0.080017|0.067848|0.073669|0.082992|0.130439|0.109072|0.093269|0.093538|0.300164|0.500000| |1.237582|1.237358|1.313257|0.035874|1.285957|2.375958|1.987518|0.041173|0.040860|1.576107|1.782661|1.840003|2.075634|2.321738|2.215979|1.932817|4.741031|3.043342|3.488301|0.104440|4.175873|3.539911|3.664417|4.689381|6.662927|5.952151|12.414575|5.979378|9.322653|6.200315|3.449463|17.573109|5.154072|0.033912|0.036466|0.032608|0.032253|0.034676|0.036440|0.033294|0.036155|0.042242|0.043265|0.047537|0.058134|0.065475|0.051413|0.091855|0.076173|0.082496|0.086255|0.187350|0.093512|0.084906|0.088819|0.299495|0.300161|0.500000| 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