Version2.4 2021-05-21T07:31:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@@H]4CCCO4)CCC3)Br C16192951 RHF 6-31G(d) (6D,7F) c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@@H]4CCCO4)CCC3)Br C01[X(C21H25Br1N3O3S1)] 156 C1 504 Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@@H]2CCCO2)sc2c1CCC2 Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@@H]2CCCO2)sc2c1CCC2 Brc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C[C@@H]3CCCO3)sc4CCCc24)cc1 InChIKey=YOQDVKFLZDTSIS-HNNXBMFYSA-O InChI=1S/C21H24BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15,23H,1-5,10-12H2,(H,24,27)(H,25,26)/p+1/t15-/m0/s1 InChI=1/C21H24BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15,23H,1-5,10-12H2,(H,24,27)(H,25,26)/p+1/t15-/m0/s1/fC21H25BrN3O3S/h23-25H/q+1 c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@@H]4CCCO4)CCC3)Br C01[X(C21H25Br1N3O3S1)] 156 C01 504 Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]C[C@@H]2CCCO2)sc2c1CCC2 O=[C]([NH][C]1SC2=[C]([C]1[C]([O])N[C]1[CH][CH][C]([CH][CH]1)Br)CCC2)C[NH2]C[C@@H]1CCCO1 [O][C](N[C]1[CH][CH][C](Br)[CH][CH]1)[C]2[C](NC(=O)C[NH2]C[C@@H]3CCCO3)SC4=C2CCC4 InChIKey=XJKHGZVOPPPFRI-HNNXBMFYSA-N InChI=1S/C21H25BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15H,1-5,10-12,23H2,(H,24,27)(H,25,26)/t15-/m0/s1 InChI=1/C21H25BrN3O3S/c22-13-6-8-14(9-7-13)24-20(27)19-16-4-1-5-17(16)29-21(19)25-18(26)12-23-11-15-3-2-10-28-15/h6-9,15H,1-5,10-12,23H2,(H,24,27)(H,25,26)/t15-/m0/s1/f/h24-25H 3170.6405204066 -4164.956357 1-A 28238.8197 123 381 504 |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|A|A|A|A|A|A|A|A| -490.11880 -92.07308 -64.53027 -58.66979 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5.4517 4.8719 5.9596 4.0912 3.4759 2.2695 1.4605 3.9126 2.7476 2.0521 7.3977 4.7472 1.9269 1.5688 6.3307 15.7276 8.3248 15.2448 7.4685 3.3939 6.7435 0.7823 6.2578 0.9535 7.2685 2.8855 2.0748 5.4825 1.7585 10.9781 23.6426 2.3169 0.4672 4.6808 5.8283 3.8184 2.0524 10.1201 18.9145 1.5660 6.3997 11.2221 4.0904 6.3961 1.7646 6.4773 25.0664 14.3364 5.3033 7.3544 11.9427 12.7213 15.3761 11.6793 117.6091 12.4497 17.5221 36.8160 4.1983 16.7027 8.6463 5.3128 18.1826 7.4461 0.8988 12.0598 20.9659 32.4992 63.0064 11.6079 87.6740 71.2947 98.5566 31.1332 16.6554 9.3512 13.4408 23.9083 10.3173 9.5892 3.8052 8.4863 89.2208 102.7771 67.7254 5.0542 175.2373 7.1203 118.1652 92.6462 100.3620 143.1946 44.5880 71.9382 56.7482 43.7329 150.8290 128.1807 135.5717 4.8070 115.6445 65.6684 123.5287 127.6473 78.2753 21.4345 37.0878 62.7887 62.5280 92.6345 67.5878 48.8489 99.2419 25.9854 85.7861 0.7205 0.7423 0.7150 0.7360 0.7469 0.7489 0.5721 0.6996 0.3669 0.7035 0.6562 0.6509 0.4722 0.7482 0.2908 0.6700 0.3403 0.2317 0.5464 0.4984 0.5452 0.5977 0.5412 0.2012 0.3410 0.5441 0.4234 0.7173 0.7389 0.5920 0.7085 0.6307 0.4789 0.0961 0.3027 0.2747 0.7433 0.4533 0.5345 0.5829 0.7318 0.2912 0.7069 0.5778 0.2530 0.2102 0.5178 0.4563 0.3158 0.2076 0.3035 0.4673 0.5309 0.6811 0.2312 0.1683 0.1331 0.1890 0.0784 0.3289 0.2561 0.1647 0.5464 0.2023 0.5537 0.3125 0.3844 0.5889 0.6480 0.7247 0.6722 0.2327 0.4251 0.7378 0.5559 0.7439 0.4748 0.6622 0.4626 0.1435 0.7287 0.4701 0.4285 0.6693 0.1497 0.2488 0.5722 0.1690 0.2338 0.6457 0.7454 0.4204 0.6933 0.2058 0.7115 0.3042 0.7259 0.4345 0.2895 0.7024 0.7496 0.2818 0.5140 0.3455 0.4611 0.5025 0.4710 0.4400 0.7306 0.3513 0.7494 0.1814 0.1284 0.1109 0.4024 0.3787 0.7315 0.6938 0.6747 0.7497 0.4660 0.3669 0.6623 0.1738 0.6287 0.3933 0.6859 0.5020 0.5514 0.3352 0.2451 0.2004 0.1968 0.5006 0.2546 0.6606 0.3607 0.0967 0.2207 0.2331 0.3117 0.0321 0.6341 0.6799 0.3171 0.6015 0.5752 0.7475 0.3782 0.3982 0.2315 0.2078 0.0600 0.2187 0.1740 0.1610 0.8376 0.8521 0.8338 0.8479 0.8551 0.8565 0.7278 0.8233 0.5368 0.8260 0.7924 0.7886 0.6415 0.8560 0.4505 0.8024 0.5078 0.3762 0.7067 0.6653 0.7056 0.7482 0.7023 0.3350 0.5086 0.7047 0.5949 0.8354 0.8498 0.7437 0.8293 0.7736 0.6476 0.1753 0.4648 0.4310 0.8528 0.6238 0.6966 0.7365 0.8452 0.4511 0.8283 0.7324 0.4038 0.3473 0.6823 0.6267 0.4800 0.3439 0.4657 0.6370 0.6936 0.8103 0.3755 0.2882 0.2349 0.3179 0.1455 0.4950 0.4077 0.2828 0.7067 0.3365 0.7127 0.4762 0.5553 0.7412 0.7864 0.8404 0.8040 0.3776 0.5966 0.8491 0.7146 0.8531 0.6439 0.7968 0.6326 0.2510 0.8431 0.6396 0.5999 0.8019 0.2603 0.3984 0.7279 0.2891 0.3790 0.7847 0.8541 0.5919 0.8189 0.3413 0.8314 0.4665 0.8412 0.6058 0.4491 0.8252 0.8569 0.4397 0.6790 0.5136 0.6312 0.6689 0.6403 0.6111 0.8444 0.5200 0.8568 0.3071 0.2276 0.1996 0.5739 0.5494 0.8449 0.8193 0.8057 0.8569 0.6358 0.5368 0.7968 0.2961 0.7720 0.5646 0.8137 0.6684 0.7108 0.5021 0.3938 0.3339 0.3289 0.6672 0.4058 0.7956 0.5301 0.1763 0.3616 0.3781 0.4753 0.0623 0.7761 0.8095 0.4816 0.7512 0.7304 0.8555 0.5489 0.5696 0.3759 0.3441 0.1132 0.3589 0.2964 0.2773 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 6 6 6 6 6 6 7 6 8 6 6 6 16 6 7 6 8 6 7 1 1 6 6 1 6 6 6 8 6 6 6 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 78.91834 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 13615.0448 40940.3890 53499.6475 0.99837 -0.05714 -0.00039 0.05714 0.99837 0.00109 0.00032 -0.00111 1.00000 1 0.00636 0.00212 0.00162 0.13255 0.04408 0.03373 18.81 20.75 26.31 36.73 50.05 59.61 81.97 98.32 98.82 130.17 151.10 166.76 186.94 199.86 211.56 223.18 243.16 272.96 296.86 324.12 359.86 361.26 400.50 407.33 467.21 510.93 515.91 549.21 570.77 612.25 635.75 658.57 663.11 698.72 762.21 809.18 826.29 830.90 862.39 899.33 932.54 950.67 982.89 996.23 1011.07 1051.11 1080.88 1136.78 1142.33 1191.72 1207.89 1252.55 1254.70 1272.82 1302.17 1317.59 1333.37 1355.33 1372.43 1381.86 1389.05 1405.40 1430.37 1432.07 1456.32 1487.77 1529.81 1549.37 1573.54 1574.88 1578.27 1590.58 1594.71 1597.62 1629.07 1636.43 1659.88 1674.86 1703.57 1705.61 1725.53 1791.20 1810.67 1825.21 1827.94 1845.40 1867.08 1883.25 1901.26 1912.69 1936.79 1938.75 1954.43 1958.36 1997.63 2023.68 2037.90 2072.73 2089.40 2096.50 2101.52 2115.87 2117.19 2122.27 2140.42 2155.95 2171.12 2204.08 2212.66 2235.77 2241.26 2271.52 2306.93 2334.12 2345.91 2349.20 2356.15 2362.47 2368.18 2377.33 2393.92 2406.47 2418.94 2468.02 2533.30 2564.97 2582.57 2596.78 2651.38 2705.80 2795.60 4583.08 4630.10 4638.83 4654.72 4660.17 4670.46 4675.93 4678.88 4698.90 4705.81 4711.97 4733.36 4743.66 4757.12 4786.71 4801.86 4803.29 4838.44 4896.78 4905.04 4954.65 5181.18 5266.58 5275.26 5635.35 0.478850 0.504858 0.505802 0.415728 -4164.477507 -4164.451499 -4164.450555 -4164.540629 3.021097D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE c1cc(ccc1NC(=O)c2c3c(sc2NC(=O)C[NH2+]C[C@@H]4CCCO4)CCC3)Br C16192951 RHF 6-31G(d) (6D,10F) C1 478.080000 |X|Y|Z| 83.928685 143.992844 21.487104 63.798393 26 6 7 8 16 21 3 1 1 |36.858105| |13.773517|36.858105| |7.981787|13.788100|36.858105| |6.898886|7.938715|13.778703|36.858105| |7.939560|6.857243|7.946466|13.767560|36.858105| |13.731403|7.917345|6.886392|7.947783|13.729219|36.858105| |7.932892|5.175595|4.553758|5.128973|7.741019|13.429333|53.358707| |5.265802|3.948163|3.707799|4.315193|6.229298|7.704693|19.266318|36.858105| |4.630303|3.726442|3.706273|4.529637|6.513568|6.677019|11.537524|15.664030|73.516695| |4.017342|3.145759|2.920630|3.247001|4.229615|5.044010|10.755661|12.795638|14.359682|36.858105| |3.725959|2.938630|2.664375|2.855541|3.559053|4.324138|8.647860|7.200340|9.115179|13.161213|36.858105| |2.967901|2.443837|2.248684|2.392281|2.875942|3.331563|6.025855|5.066425|7.249116|8.198950|14.253166|36.858105| |2.625921|2.215874|2.090870|2.259365|2.697601|2.991443|5.196727|4.735784|7.453355|7.332667|7.421675|11.033826|388.023441| |3.196401|2.633029|2.503272|2.781890|3.470207|3.858002|7.084614|7.663785|11.970204|13.957493|8.252206|7.789201|78.132012|36.858105| |2.970543|2.519583|2.462796|2.786809|3.433684|3.605673|6.116480|6.550467|12.869438|7.828595|5.219182|4.983309|49.142256|13.636511|53.358707| |2.477974|2.163538|2.132369|2.381591|2.819057|2.900172|4.662250|4.501454|8.819053|5.176435|4.016080|4.121358|42.767031|7.806991|19.493638|36.858105| |2.219158|1.950346|1.907702|2.095360|2.438043|2.534881|4.055411|3.735688|6.920403|4.476206|3.781920|4.152467|46.481815|6.574235|11.437193|15.844380|73.516695| |2.321694|2.078414|2.092054|2.354212|2.723376|2.700036|4.120846|3.823087|7.980282|3.950414|3.147195|3.129483|28.866746|5.062120|10.760475|12.453034|14.399150|36.858105| |1.968972|1.789459|1.802911|2.001125|2.260064|2.237986|3.366278|2.989128|5.962134|3.149202|2.662438|2.731345|25.091297|3.925920|7.155117|7.856431|13.084477|12.840047|53.358707| |1.917020|1.733473|1.727435|1.897082|2.143784|2.159448|3.285939|2.903721|5.615330|3.164307|2.728963|2.874806|27.294863|4.030888|7.044131|8.079155|16.526701|9.427457|25.534849|0.500000| |1.901883|1.734251|1.757138|1.959941|2.210494|2.169143|3.256161|2.875081|5.711478|3.030422|2.589336|2.661998|24.197806|3.731627|6.594179|6.755335|11.558023|9.200174|25.596460|0.329295|0.500000| |1.801297|1.665001|1.688966|1.860087|2.054133|2.014836|2.951473|2.541651|5.068478|2.599652|2.241854|2.276171|19.910522|3.077395|5.291094|5.047098|8.543562|7.523953|17.333205|0.252678|0.260553|36.858105| |1.589663|1.479741|1.500986|1.641045|1.793562|1.760096|2.567959|2.170052|4.230931|2.243140|1.989908|2.047338|17.687142|2.617088|4.273199|3.929393|7.113034|4.993388|10.608753|0.193674|0.213265|12.498706|36.858105| |1.542076|1.430536|1.439253|1.561654|1.708896|1.696727|2.493276|2.100057|4.026260|2.209376|1.986241|2.074421|18.097388|2.595957|4.152432|3.852523|7.358253|4.560652|9.452539|0.202315|0.183964|8.890320|17.544701|0.500000| |1.461769|1.377886|1.405809|1.528657|1.644414|1.602162|2.298262|1.906083|3.711056|1.936084|1.734419|1.767363|14.801174|2.195425|3.500822|3.050441|5.417140|3.773291|6.765462|0.125485|0.136457|7.431403|12.369951|0.242167|36.858105| |1.429127|1.354225|1.393847|1.525227|1.633555|1.572461|2.240693|1.850075|3.616912|1.861654|1.669584|1.689785|13.965342|2.085922|3.306466|2.810972|4.913740|3.437148|5.886833|0.106505|0.128137|5.648673|7.918471|0.163180|12.414261|36.858105| |1.452278|1.366024|1.401140|1.538612|1.664132|1.607925|2.318393|1.928454|3.746007|1.970482|1.772946|1.812107|15.164137|2.234594|3.534444|3.047624|5.433349|3.628412|6.475621|0.118628|0.153896|5.510393|8.185467|0.177136|8.020404|12.519257|36.858105| |1.586996|1.476571|1.505241|1.658180|1.818142|1.770557|2.588821|2.192413|4.277274|2.269863|2.016715|2.074998|17.884553|2.644049|4.296723|3.895856|7.018682|4.795867|9.823389|0.173995|0.251042|8.129007|13.537419|0.259216|8.035857|8.194968|13.376369|73.516695| |2.659289|2.233846|2.040412|2.124758|2.480454|2.859933|4.894406|3.788825|5.601133|5.153235|7.972871|12.683388|45.875565|4.827234|4.877105|3.151788|5.776835|2.527455|3.108296|0.066892|0.062257|1.954909|1.796007|0.050869|1.573777|1.509317|1.614800|3.235031|36.858105| |3.010612|2.496162|2.244126|2.313490|2.705362|3.190930|5.470642|3.931230|5.651738|4.974670|7.965169|8.093065|33.342408|4.190340|4.370174|2.765169|4.886476|2.295765|2.799232|0.059042|0.056331|1.786958|1.639907|0.045928|1.455945|1.409962|1.498102|2.964730|12.286507|36.858105| |3.954452|3.100058|2.729627|2.832921|3.439988|4.301814|8.077848|5.485000|7.252527|6.929391|12.580721|8.121039|34.378626|5.001677|5.070801|3.048844|5.175538|2.532731|2.994736|0.062295|0.059816|1.907125|1.719035|0.047651|1.525998|1.478279|1.559476|3.097197|7.640811|12.276647|36.858105| |4.604612|6.697164|10.060652|6.695105|4.597169|4.088130|4.266966|2.718922|4.902427|2.265362|2.108075|1.838662|12.321148|2.011801|2.726225|1.786755|2.882081|1.781510|2.137149|0.041792|0.042652|1.497552|1.347554|0.035879|1.280801|1.276100|1.272882|2.399173|1.701736|1.851571|2.164261|2539.412838| |17.705079|8.951381|5.670726|4.964520|5.642823|8.902404|9.945839|4.959716|7.429647|4.060440|3.956827|3.142431|19.229243|3.208054|3.949479|2.432054|3.927321|2.242265|2.607158|0.052374|0.051211|1.748728|1.549319|0.042069|1.421451|1.381089|1.406152|2.738260|2.864916|3.293792|4.389528|130.364038|0.500000| |8.923063|17.757484|8.921217|5.648195|4.946933|5.639436|5.717307|3.326855|5.563523|2.774995|2.659448|2.254391|14.497153|2.361952|3.066732|1.965197|3.188700|1.889060|2.241621|0.044556|0.044296|1.543176|1.380869|0.037235|1.292351|1.267379|1.275339|2.441108|2.101836|2.350234|2.851906|219.516617|0.215944|0.500000| |4.968362|5.652374|8.933460|17.754737|8.937553|5.654246|5.652333|3.727661|7.199382|2.898201|2.550630|2.182451|14.920846|2.557773|3.559279|2.275998|3.563459|2.294266|2.679231|0.051434|0.053898|1.846908|1.636333|0.042985|1.535709|1.546203|1.554279|2.953390|1.946085|2.094522|2.503543|219.930892|0.107769|0.124295|0.500000| |5.648863|4.950576|5.660899|8.946999|17.804144|8.908756|9.580521|6.672514|13.897161|4.470539|3.620089|2.954151|20.232441|3.752076|5.205768|3.106889|4.694512|3.026754|3.376629|0.064608|0.067976|2.230864|1.937806|0.050905|1.765066|1.766094|1.809747|3.527796|2.503268|2.681979|3.361159|130.316626|0.124067|0.107536|0.215971|0.500000| |7.462816|4.867894|4.085052|4.315172|5.818004|9.296927|26.119580|9.494442|10.896800|7.593809|7.374665|4.878734|27.655793|4.941447|5.515424|3.169001|5.049800|2.756812|3.132500|0.063287|0.061910|2.021879|1.779641|0.048430|1.594480|1.549860|1.608089|3.184967|4.072973|4.809672|7.906224|99.321205|0.223071|0.114892|0.098853|0.146124|0.500000| |3.282307|2.778369|2.755604|3.197494|4.037650|4.127496|6.888632|7.794597|18.679909|7.517555|4.840242|4.324025|37.459588|9.510921|25.741264|9.324335|10.734308|7.480026|6.572614|0.125150|0.124749|3.761575|3.006478|0.079414|2.520399|2.411561|2.537226|5.383072|3.226516|3.022952|3.609264|75.000481|0.086844|0.067918|0.083294|0.128706|0.120133|0.500000| |2.398423|2.160857|2.212216|2.539460|2.947788|2.836143|4.259153|3.959141|8.675175|3.890789|3.064822|2.968155|26.160385|4.734184|9.791348|8.687024|10.690067|17.636492|12.318208|0.183767|0.229998|6.450544|4.560489|0.111468|3.613051|3.470852|3.660778|8.281862|2.411766|2.241092|2.498312|63.942954|0.063301|0.054080|0.069600|0.093413|0.077719|0.216774|0.500000| |2.365670|2.126425|2.133426|2.378849|2.724963|2.717392|4.085701|3.725788|7.792860|3.748891|3.003253|2.952485|26.382589|4.613559|9.184734|8.868342|11.536230|17.605957|12.367603|0.209131|0.181067|7.267728|4.659554|0.119325|3.700740|3.270684|3.290088|7.431717|2.411996|2.205805|2.451527|61.971960|0.063596|0.053862|0.064154|0.082660|0.075855|0.187397|0.300692|0.500000| |1.844684|1.717405|1.762079|1.957259|2.149863|2.073598|2.994517|2.570330|5.234435|2.556299|2.184247|2.177609|18.601859|2.958619|5.112550|4.605939|7.382941|7.112204|12.423519|0.179666|0.218339|17.620091|8.818852|0.173798|6.948894|5.960071|5.430196|12.687088|1.871370|1.736678|1.871875|53.317085|0.049260|0.044039|0.054492|0.065354|0.056405|0.105329|0.194592|0.195229|0.500000| |1.804622|1.668052|1.680493|1.833025|2.016889|1.998997|2.923854|2.501126|4.943654|2.560730|2.218521|2.254685|19.638627|3.016527|5.110524|4.798716|8.232249|6.728123|12.344557|0.222193|0.182110|17.622224|8.721713|0.215293|6.426977|4.665932|4.363639|10.256041|1.943543|1.771724|1.892891|50.771132|0.048950|0.043136|0.050252|0.060088|0.055879|0.100598|0.152902|0.209254|0.299358|0.500000| |1.488886|1.408636|1.439440|1.562166|1.672369|1.626642|2.316778|1.915020|3.749223|1.923521|1.715252|1.733646|14.400723|2.164021|3.461307|2.976833|5.185369|3.741861|6.343003|0.116491|0.121996|7.246194|8.658884|0.185963|17.576752|8.660984|5.741076|10.523052|1.542382|1.433962|1.513269|44.750626|0.040158|0.036730|0.043629|0.049670|0.044517|0.070068|0.099676|0.106415|0.202925|0.193076|0.500000| |1.365817|1.289262|1.309616|1.413618|1.515332|1.485755|2.132432|1.754400|3.372249|1.795752|1.629898|1.673098|13.943647|2.028004|3.169755|2.738948|4.976188|3.240778|5.671969|0.111138|0.114448|5.629239|8.816731|0.228329|17.597730|8.784957|6.694918|11.346920|1.505394|1.388867|1.443378|40.788878|0.037078|0.033755|0.039353|0.044875|0.041393|0.062863|0.085230|0.088710|0.141243|0.146364|0.303007|0.500000| |1.495826|1.422073|1.474485|1.624018|1.735206|1.653280|2.338928|1.932995|3.827502|1.916421|1.702386|1.703848|13.985669|2.131899|3.412944|2.861316|4.865318|3.588686|5.884978|0.102837|0.127449|5.630725|6.611334|0.136166|8.762386|17.560539|8.850336|12.311779|1.514265|1.425339|1.507726|45.956002|0.039899|0.036837|0.046014|0.052393|0.044617|0.070373|0.104192|0.095382|0.184705|0.128218|0.218260|0.174148|0.500000| |1.326061|1.263786|1.301492|1.416153|1.504517|1.448494|2.052229|1.676044|3.250612|1.684004|1.525777|1.544507|12.602343|1.865782|2.905797|2.426238|4.269380|2.877107|4.741357|0.088398|0.102102|4.332517|5.705331|0.131470|8.691110|17.609570|8.725579|10.356355|1.393656|1.307271|1.364425|40.903872|0.035643|0.032995|0.039966|0.044924|0.039598|0.058957|0.080696|0.076973|0.125366|0.105471|0.192812|0.219853|0.301912|0.500000| |1.467739|1.383153|1.426684|1.575909|1.703655|1.632575|2.346852|1.949425|3.799190|1.978805|1.778670|1.806877|14.977940|2.225407|3.507234|2.962626|5.199674|3.487207|5.910836|0.106998|0.144854|4.689729|5.955686|0.135054|5.716754|8.654566|17.648025|16.667036|1.610100|1.504738|1.569111|44.125608|0.039296|0.035774|0.044460|0.051812|0.045089|0.070620|0.101334|0.086583|0.134714|0.104445|0.127112|0.135986|0.218235|0.193210|0.500000| |1.360931|1.280882|1.307819|1.426190|1.538467|1.496643|2.161630|1.784948|3.421024|1.841004|1.679520|1.731933|14.442147|2.081982|3.227172|2.766167|5.056086|3.161320|5.548170|0.107187|0.128826|4.555913|6.754099|0.168784|6.796354|8.764741|17.574689|16.487897|1.559804|1.441901|1.486083|40.579211|0.036785|0.033365|0.039906|0.046165|0.041963|0.063717|0.086912|0.080386|0.119763|0.105965|0.137284|0.184637|0.173741|0.216457|0.300485|0.500000| |2.350906|2.014017|1.866119|1.950933|2.252346|2.531803|4.214323|3.286941|5.022688|4.308221|5.927609|8.759596|41.755040|4.249029|4.481016|2.988623|5.597696|2.414749|3.034343|0.065616|0.061497|1.907768|1.777943|0.050582|1.556466|1.498939|1.617416|3.230216|17.578702|8.661042|5.655483|53.713692|0.069278|0.052784|0.050220|0.063771|0.094776|0.082034|0.064113|0.063304|0.050541|0.052331|0.042079|0.041529|0.041565|0.038535|0.044885|0.043671|0.500000| |2.536833|2.147378|1.948375|2.003894|2.308697|2.667691|4.465702|3.419349|5.140472|4.476083|6.301018|8.878836|40.525210|4.299319|4.501692|2.974905|5.515760|2.413170|2.989680|0.064818|0.059249|1.901962|1.749101|0.049860|1.539229|1.464181|1.555778|3.113253|17.539136|8.651193|6.200386|55.793618|0.076894|0.056760|0.050984|0.064060|0.102955|0.082850|0.063244|0.064976|0.050337|0.053118|0.042059|0.041097|0.040681|0.037650|0.042794|0.041881|0.302589|0.500000| |2.819353|2.378023|2.173013|2.258611|2.627114|3.019756|5.058128|3.645853|5.358389|4.461593|6.489935|6.572098|30.189613|3.837440|4.111409|2.626610|4.642774|2.203600|2.711672|0.056908|0.055233|1.731694|1.602442|0.044755|1.425306|1.392080|1.487529|2.927513|8.810630|17.586953|8.814237|61.503353|0.083690|0.062036|0.057340|0.073164|0.119766|0.079539|0.060412|0.058196|0.046908|0.047283|0.038827|0.037772|0.039098|0.035919|0.041763|0.039831|0.225385|0.175553|0.500000| |2.872314|2.415685|2.149411|2.173487|2.488618|2.935530|4.834469|3.376628|4.960753|4.039143|5.795129|5.853330|27.372251|3.479121|3.776900|2.436814|4.323795|2.064527|2.540736|0.053602|0.050964|1.645255|1.517324|0.042583|1.358798|1.313943|1.387765|2.727786|8.654397|17.601867|8.657518|61.150119|0.088910|0.064319|0.054666|0.067519|0.118153|0.073291|0.055901|0.055712|0.044449|0.045575|0.037284|0.036162|0.036853|0.034003|0.038628|0.037229|0.189479|0.219666|0.303008|0.500000| |4.352817|3.348223|2.850353|2.876658|3.440832|4.460392|8.104290|5.158818|6.910589|5.986394|8.819853|6.361072|30.040403|4.443871|4.688316|2.852514|4.829671|2.412865|2.850816|0.059270|0.056370|1.840364|1.653333|0.045860|1.478215|1.424640|1.488565|2.947445|6.205735|8.686768|17.497267|76.598249|0.142898|0.086813|0.069737|0.090510|0.233278|0.093934|0.065783|0.066136|0.050252|0.051254|0.040984|0.038904|0.040398|0.036614|0.041418|0.039410|0.130099|0.159934|0.176156|0.221404|0.500000| |4.281194|3.346033|2.958391|3.090270|3.781893|4.726850|8.690187|5.478797|7.305070|6.132057|8.714170|6.005490|29.062836|4.433484|4.720295|2.842611|4.761702|2.417760|2.862315|0.058822|0.057696|1.834019|1.658353|0.045637|1.481233|1.448603|1.527818|3.010982|5.664105|8.699343|17.558562|78.850077|0.128635|0.084465|0.075446|0.102157|0.237660|0.096082|0.067525|0.064712|0.050489|0.050207|0.040799|0.038830|0.041232|0.037214|0.043005|0.040356|0.129939|0.130117|0.226968|0.190441|0.301689|0.500000| 4162.930107 -16212.539812 4989.121874 -277.324019 -7337.811850 3170.640749 -4167.171102 2.001019 40B9800000000012 4471BE0479753A36 43F263841E88024B 425C79C2BF27FFFE B7CA22391F5F0C00 443831CFB829652E