Version2.2 2021-02-09T12:43:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccccc4O C33630626 RHF 6-31G(d) (6D,7F) Cc1ccccc1N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccccc4O C01[X(C21H20N2O6)] 141 C1 475 OC[C@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C)c1ccccc1O)C(=O)[O-] OC[C@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C)c1ccccc1O)C(=O)[O-] Cc1ccccc1N2C(=O)[C@H]3[C@@H]([NH2+][C@](CO)([C@@H]3C2=O)C([O-])=O)c4ccccc4O InChIKey=BLXSCOGAZRDNGI-MXTNKPTQSA-N InChI=1S/C21H20N2O6/c1-11-6-2-4-8-13(11)23-18(26)15-16(19(23)27)21(10-24,20(28)29)22-17(15)12-7-3-5-9-14(12)25/h2-9,15-17,22,24-25H,10H2,1H3,(H,28,29)/t15-,16+,17+,21-/m1/s1 InChI=1/C21H20N2O6/c1-11-6-2-4-8-13(11)23-18(26)15-16(19(23)27)21(10-24,20(28)29)22-17(15)12-7-3-5-9-14(12)25/h2-9,15-17,22,24-25H,10H2,1H3,(H,28,29)/t15-,16+,17+,21-/m1/s1/f/h22H Cc1ccccc1N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccccc4O C01[X(C21H20N2O6)] 141 C01 475 OC[C@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C)c1ccccc1O)C(=O)[O-] OC[C@]1([NH2][C@H]([C@H]2[C@H]1C(=O)N(C2=O)[C]1[CH][CH][CH][CH][C]1C)[C]1[CH][CH][CH][CH][C]1O)[C]([O])=O C[C]1[CH][CH][CH][CH][C]1N2C(=O)[C@H]3[C@@H]([NH2][C@](CO)([C@@H]3C2=O)C([O])=O)[C]4[CH][CH][CH][CH][C]4O InChIKey=RDQDUFLVGLVTRR-MXTNKPTQSA-N InChI=1S/C21H20N2O6/c1-11-6-2-4-8-13(11)23-18(26)15-16(19(23)27)21(10-24,20(28)29)22-17(15)12-7-3-5-9-14(12)25/h2-9,15-17,24-25H,10,22H2,1H3/t15-,16+,17+,21-/m1/s1 InChI=1/C21H20N2O6/c1-11-6-2-4-8-13(11)23-18(26)15-16(19(23)27)21(10-24,20(28)29)22-17(15)12-7-3-5-9-14(12)25/h2-9,15-17,24-25H,10,22H2,1H3/t15-,16+,17+,21-/m1/s1 2846.7704003084 -1364.9513074 1-A 11755.5323 104 371 475 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63936 -20.58350 -20.57839 -20.57001 -20.48002 -20.47815 -15.69139 -15.63810 -11.40042 -11.39440 -11.34427 -11.34383 -11.32089 -11.30372 -11.29599 -11.29187 -11.28586 -11.28524 -11.28075 -11.27610 -11.27433 -11.26670 -11.25804 -11.25794 -11.24935 -11.24504 -11.24097 -11.23973 -11.23190 -1.45843 -1.45636 -1.43693 -1.39295 -1.36951 -1.33725 -1.30669 -1.27046 -1.19475 -1.18175 -1.14173 -1.10405 -1.06145 -1.04933 -1.04285 -1.02918 -0.97199 -0.95468 -0.94105 -0.90307 -0.89187 -0.86402 -0.84437 -0.84194 -0.82407 -0.80460 -0.78296 -0.77191 -0.74004 -0.73440 -0.71755 -0.70901 -0.70499 -0.69619 -0.69123 -0.67715 -0.67569 -0.65887 -0.65266 -0.64613 -0.64274 -0.63725 -0.63602 -0.62515 -0.61318 -0.61198 -0.60742 -0.59953 -0.59582 -0.58725 -0.58567 -0.57756 -0.57105 -0.56262 -0.55683 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475.8748 501.0036 507.1620 530.6134 539.0339 546.0970 583.5035 586.2455 603.2196 612.8217 630.0945 657.1365 675.4831 679.7548 690.7097 721.6475 766.3570 785.9833 798.6132 811.0122 832.5435 840.4671 849.6058 852.4314 860.3672 888.2495 893.0151 904.2311 923.9826 946.5502 965.0051 980.0329 1012.0791 1028.4896 1066.6258 1071.6948 1077.0147 1093.9926 1117.8660 1121.7336 1122.4702 1148.0437 1148.7366 1159.2558 1173.6717 1189.1257 1196.2193 1197.7403 1210.9327 1217.8277 1224.8263 1234.8537 1247.5847 1268.0516 1292.8011 1301.8425 1315.6545 1326.7057 1329.8115 1337.0272 1349.1293 1369.0221 1373.1000 1400.8430 1416.2624 1428.1055 1454.9042 1472.8790 1492.7022 1497.6744 1503.4300 1519.2131 1529.7651 1540.9310 1559.3270 1567.5281 1582.6480 1594.2636 1616.5723 1628.3278 1634.5921 1645.2638 1653.2896 1674.2598 1683.6579 1783.5989 1795.2536 1805.9872 1812.3251 1820.2760 1963.4327 2013.6313 2076.7934 3201.7458 3212.7308 3215.6487 3239.1750 3271.2985 3285.9962 3293.9460 3314.6115 3356.5684 3361.7057 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7.2405 7.2422 7.3137 7.3426 7.3813 7.4347 7.4629 7.5077 7.9138 8.8882 10.1672 10.6143 0.3027 0.4821 0.7170 0.9523 0.5913 0.1716 1.1945 2.7720 3.7348 9.0647 7.3519 3.8739 1.4770 23.3642 3.0058 1.9040 0.9254 1.1702 4.3731 7.5211 8.9671 0.4516 6.0739 122.6773 15.3057 11.7031 30.6018 21.7335 4.5426 12.5709 6.5953 4.3774 7.5745 13.4449 0.2621 1.9406 0.9226 1.5264 17.0800 7.7164 11.4882 84.5755 111.7949 18.5941 13.4145 10.9793 31.6670 9.1391 26.9910 6.9740 94.6119 47.2407 30.2685 4.1516 16.4907 2.9980 4.1917 65.7466 2.5018 0.2064 50.4049 18.1914 3.5765 3.0859 6.5241 0.4506 10.3682 3.0278 25.9250 3.3259 8.5525 65.6276 9.6855 5.0288 36.1248 31.0981 19.4367 27.3790 3.5248 13.0589 68.6716 104.4365 16.8438 38.7316 29.5506 44.5185 14.0061 21.1915 9.1295 46.6706 10.4856 63.3176 4.3238 8.3030 38.0860 80.9173 174.1235 243.7863 29.5547 311.5139 113.9534 146.5589 67.6020 2.6755 82.6877 78.8844 27.4270 56.6568 10.2800 13.9691 6.2642 81.1116 28.6478 1.0181 16.5268 46.9625 0.7711 48.5522 426.4737 786.1653 100.2889 1.8081 22.8348 6.1509 47.7312 16.7196 2.9839 27.3539 10.5954 9.6568 2.8097 6.1271 6.3087 37.2864 18.8014 19.7178 5.3903 230.6889 80.5147 136.1751 147.7676 6.4113 2.5457 2.2661 1.8276 3.9113 0.5818 0.8978 2.8118 0.7804 2.2557 0.5473 1.9188 0.2075 2.0133 1.9687 1.7515 1.8242 0.6433 0.3760 2.2334 2.4664 0.8377 2.9802 3.0427 0.4519 1.3450 2.1458 1.3260 1.7153 0.6940 0.3103 2.3326 1.5255 1.5479 3.2549 1.3902 3.7383 4.8218 3.9830 2.4072 1.1680 2.5749 1.9944 5.9219 4.4575 3.8135 4.2779 2.3648 5.7552 1.0662 2.5070 3.3382 8.4778 5.1530 1.6461 10.3672 1.8554 3.2702 3.0752 2.2404 3.0226 8.8276 1.6553 0.9106 1.6209 2.2100 1.3026 0.3627 3.1057 14.5697 24.1214 0.4978 0.5797 1.5928 3.4277 4.2050 5.0494 6.4381 6.8818 6.3912 3.5564 3.4922 4.9808 1.9246 2.7342 5.4851 2.4401 4.7444 5.0185 1.5942 2.9872 12.5522 4.3906 2.9413 3.2215 1.6513 12.8284 3.0840 8.5973 0.2590 4.6583 7.5771 4.0476 6.8462 2.6216 8.3575 1.5746 2.3099 15.6753 7.3474 5.8211 3.3069 2.1677 19.0493 8.6773 4.6013 27.9550 34.4316 0.9478 1.0673 24.8339 45.3301 104.5758 6.5235 65.8317 52.0090 41.5743 64.5348 45.1057 86.4416 45.7623 112.4424 104.3738 65.8818 107.7372 251.0456 141.1512 27.2351 24.9018 32.9852 101.0836 0.7496 0.7500 0.7460 0.7496 0.7492 0.7419 0.7499 0.7486 0.7230 0.7394 0.6979 0.7332 0.7083 0.6597 0.3114 0.4873 0.2638 0.2709 0.6455 0.5817 0.1229 0.7344 0.6935 0.7468 0.6056 0.4426 0.7486 0.7371 0.3403 0.1645 0.4359 0.4442 0.5360 0.2683 0.3750 0.5695 0.5027 0.4981 0.7351 0.2184 0.5658 0.7376 0.5239 0.0632 0.0351 0.0736 0.0548 0.6444 0.3640 0.6571 0.7329 0.2456 0.1954 0.0290 0.1144 0.0832 0.3659 0.7364 0.6742 0.6786 0.7397 0.1606 0.6526 0.5532 0.6988 0.1280 0.1526 0.1939 0.0847 0.1889 0.0819 0.5239 0.7490 0.6471 0.5029 0.5925 0.5503 0.4219 0.7126 0.6321 0.7424 0.7108 0.2275 0.6547 0.2616 0.2377 0.1718 0.1583 0.6899 0.3893 0.1856 0.1226 0.5933 0.6340 0.6002 0.1701 0.4958 0.2115 0.7410 0.6416 0.3382 0.6965 0.5665 0.5438 0.6876 0.5158 0.4578 0.5804 0.7484 0.7446 0.7479 0.5684 0.4418 0.5456 0.6727 0.5394 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43.88 57.18 63.95 78.45 95.07 113.68 130.08 166.55 186.27 195.29 208.85 219.98 227.72 281.91 294.21 314.31 350.29 400.90 422.36 445.31 463.40 474.56 504.41 524.72 538.14 549.75 645.27 684.68 720.83 729.69 763.43 775.55 785.71 839.53 843.48 867.90 881.71 906.57 945.47 971.87 978.02 993.78 1038.29 1102.62 1130.85 1149.03 1166.87 1197.84 1209.24 1222.39 1226.46 1237.88 1277.99 1284.85 1300.99 1329.40 1361.87 1388.43 1410.05 1456.16 1479.77 1534.64 1541.93 1549.58 1574.01 1608.36 1613.92 1614.98 1651.78 1652.78 1667.91 1688.65 1710.89 1721.09 1723.28 1742.26 1752.18 1762.25 1776.68 1795.00 1824.44 1860.05 1873.06 1892.93 1908.83 1913.30 1923.68 1941.10 1969.72 1975.58 2015.50 2037.69 2054.73 2093.28 2119.14 2147.67 2154.82 2163.10 2185.81 2200.99 2217.06 2243.52 2255.32 2277.08 2293.79 2325.89 2342.80 2351.81 2367.17 2378.71 2408.89 2422.41 2566.20 2582.97 2598.41 2607.53 2618.97 2824.94 2897.17 2988.04 4606.60 4622.40 4626.60 4660.45 4706.67 4727.82 4739.25 4768.99 4829.35 4836.74 4853.17 4862.89 4866.39 4884.44 4885.02 4906.17 5102.43 5370.09 5789.07 5911.97 0.419200 0.442802 0.443746 0.363911 -1364.532107 -1364.508505 -1364.507561 -1364.587396 2.677679D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE Cc1ccccc1N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccccc4O C33630626 RHF 6-31G(d) (6D,10F) C1 396.132137 |X|Y|Z| 57.399803 86.320677 31.771997 53.995378 20 6 7 18 2 |36.858105| |12.616613|36.858105| |7.553680|13.714894|36.858105| |5.008474|7.873621|13.754243|36.858105| |4.414757|6.790977|7.937780|13.771026|36.858105| |4.997830|7.866743|6.911562|7.980662|13.771264|36.858105| |7.514854|13.685394|8.014651|6.918672|7.947212|13.774943|36.858105| |6.563752|7.783314|5.149877|4.549177|5.153785|7.867871|13.280445|53.358707| |5.544930|5.785650|4.190052|3.742773|4.127483|5.650702|7.658221|18.628305|36.858105| |5.374461|5.548456|4.204284|3.740371|4.006473|5.136691|6.576802|11.266326|16.064151|73.516695| |4.158091|4.155560|3.235186|2.980674|3.298848|4.304650|5.184788|11.322536|12.609060|13.861675|36.858105| |3.576766|3.770625|3.046932|2.917020|3.338998|4.389753|4.859238|9.750048|9.190438|11.597909|17.517863|0.500000| |3.438685|3.267203|2.656706|2.446471|2.629851|3.221117|3.745322|6.982224|6.969038|10.284874|12.558247|0.248855|36.858105| |3.664711|3.307390|2.675728|2.409593|2.524897|3.035580|3.621417|6.558186|6.398167|10.008252|8.865062|0.174678|17.615896|0.500000| |3.018867|2.886587|2.393910|2.230551|2.403543|2.905744|3.291362|5.955993|5.047785|7.367749|8.217910|0.199768|12.451650|0.253336|53.358707| |2.637538|2.573360|2.181346|2.067441|2.244091|2.680671|2.938899|5.122607|4.281512|6.479468|6.466752|0.180063|8.921315|0.184561|25.721850|0.500000| |2.909268|2.705323|2.261389|2.087152|2.208949|2.617388|2.983479|5.220743|4.319923|6.540596|6.185510|0.147164|9.085556|0.244503|25.484303|0.323158|0.500000| |3.274462|3.189262|2.614484|2.440572|2.658320|3.273223|3.724663|6.924776|5.169262|7.114641|7.936155|0.200471|7.460677|0.173853|16.861586|0.251137|0.260038|36.858105| |4.385057|4.254882|3.277770|2.975949|3.245201|4.191348|5.175111|11.289653|8.088603|9.722593|12.543610|0.248253|8.029510|0.196796|11.191663|0.169485|0.186314|12.517320|36.858105| |4.893557|4.342136|3.307591|2.903904|3.047728|3.800534|4.862849|9.792648|7.187528|9.364515|8.955962|0.175155|7.356609|0.216651|9.813900|0.146768|0.188968|9.034714|17.503684|0.500000| |5.181062|5.570249|4.108274|3.741978|4.207997|5.852504|7.621728|18.404273|8.127910|9.739163|8.121821|0.199923|5.208978|0.133116|6.871906|0.118380|0.121833|6.930025|12.614487|0.255060|36.858105| |4.579462|5.091466|4.008100|3.763306|4.259089|5.663188|6.594285|11.263095|5.504529|7.445793|5.497814|0.147342|4.023479|0.104396|5.627908|0.101221|0.103076|5.741286|7.771229|0.179487|16.140243|73.516695| |2.796774|2.856497|2.419788|2.338037|2.611887|3.194320|3.405548|5.968177|4.299613|6.132859|6.001174|0.185549|5.389373|0.123170|10.331830|0.213526|0.165709|12.524457|7.354248|0.152815|5.801152|9.575034|36.858105| |2.355634|2.372181|2.058215|1.996574|2.197794|2.596541|2.732049|4.557825|3.386775|5.093090|4.501322|0.135710|4.577746|0.107826|9.103007|0.220245|0.159351|7.989679|5.050851|0.117800|4.097503|6.938343|13.642873|73.516695| |3.011477|2.830470|2.370055|2.191066|2.321222|2.748640|3.124158|5.382658|3.886620|5.691212|5.055348|0.126317|5.209684|0.140259|10.564913|0.175949|0.236405|12.058801|7.323228|0.204100|5.170179|8.488763|7.415361|11.640012|36.858105| |3.040209|2.751966|2.304065|2.098063|2.181608|2.549236|2.943254|5.001173|3.755750|5.664430|4.742720|0.113422|5.336480|0.157919|10.083015|0.162073|0.276505|8.141972|6.285900|0.202610|4.462837|7.125391|5.274788|8.781880|15.458337|73.516695| |2.712396|2.605442|2.230911|2.093017|2.224169|2.595109|2.868537|4.740579|3.299233|4.915598|4.063210|0.107127|4.009004|0.106644|7.462752|0.138418|0.157951|8.051257|5.571476|0.149135|4.567927|8.181896|6.999038|11.754509|15.666017|15.087032|73.516695| |2.857996|2.779334|2.346220|2.207229|2.379099|2.837950|3.148156|5.420651|5.297399|8.928074|7.309816|0.192036|12.609222|0.247451|10.270683|0.206503|0.172668|5.020957|5.037391|0.129341|3.864193|5.636678|4.310573|7.074688|3.857900|7.001429|5.662530|36.858105| |2.781301|2.799344|2.398562|2.297415|2.509989|2.987111|3.215285|5.346814|5.296530|9.627706|6.335154|0.186036|7.496378|0.164944|7.059692|0.145648|0.121305|4.059080|4.286167|0.108050|3.611689|5.335775|3.756883|6.090526|3.159993|5.587038|4.836236|13.739692|36.858105| |2.354035|2.374685|2.096368|2.033014|2.203821|2.538754|2.662385|4.203805|3.884072|7.272457|4.338589|0.127827|4.993347|0.120440|5.379204|0.115093|0.097326|3.202148|3.275252|0.084522|2.869742|4.403895|3.071367|5.203742|2.629123|4.676961|4.128931|7.887480|13.739188|36.858105| |2.107704|2.088204|1.858018|1.793447|1.918586|2.177752|2.294082|3.594356|3.209647|5.890091|3.646648|0.104330|4.436327|0.111457|5.102357|0.111822|0.095989|2.969941|2.922264|0.077035|2.525521|3.938366|2.836970|5.004532|2.529946|4.577400|3.983674|6.841830|7.965312|13.785250|36.858105| |2.137342|2.076340|1.830596|1.746794|1.854852|2.113483|2.264662|3.607854|3.202297|5.708634|3.795356|0.104990|5.030176|0.128821|5.975777|0.132834|0.115889|3.280462|3.120915|0.083532|2.600458|4.044521|3.043899|5.491928|2.841029|5.253343|4.398231|7.880470|6.886068|7.931021|13.745008|36.858105| |2.442810|2.343791|2.022768|1.907235|2.027806|2.353235|2.577934|4.257100|3.869447|6.664881|4.924608|0.130825|7.604889|0.188351|8.569319|0.186936|0.164004|4.214063|3.953184|0.105909|3.113566|4.728949|3.700972|6.552920|3.542251|6.643113|5.276636|13.650896|7.973473|6.884822|7.965572|13.785916|36.858105| |2.398193|2.254066|1.943603|1.816702|1.911472|2.204925|2.440866|4.028463|3.520491|5.911541|4.497766|0.115196|6.966730|0.192741|9.445070|0.200554|0.210321|4.463593|3.971755|0.110472|3.050790|4.690285|3.753786|6.868035|4.020502|7.947222|5.856587|8.147367|5.287337|4.623295|5.220268|7.939316|14.063514|73.516695| |17.551441|8.832048|5.851461|4.280756|3.954525|4.584142|6.700119|9.074154|5.395974|8.589542|4.357197|0.102332|3.612521|0.107822|4.463115|0.078339|0.088777|3.679818|5.014378|0.163834|5.940714|9.427640|3.058396|4.536628|3.472464|6.236239|5.531099|2.904045|2.745959|2.309104|2.091007|2.154829|2.496960|4.448250|0.500000| |17.564884|8.846735|5.919457|4.305956|3.953933|4.556054|6.620715|8.843956|6.365266|11.849287|4.568243|0.105937|3.850387|0.117102|4.389182|0.077671|0.086366|3.354228|4.516703|0.142291|4.927460|7.353092|2.815075|4.243799|3.035222|5.562612|4.753486|3.201297|3.114608|2.608149|2.321050|2.353202|2.706547|4.679796|0.301190|0.500000| |17.595367|8.882700|7.301693|4.771906|3.969336|4.172559|5.569462|6.536464|4.249402|7.585556|3.375923|0.082626|2.916865|0.086744|3.549414|0.064225|0.070826|2.793956|3.544813|0.109356|4.052370|6.679999|2.428822|3.718269|2.644308|4.791314|4.302378|2.494517|2.436947|2.111557|1.914486|1.939604|2.183516|3.834606|0.302414|0.302010|0.500000| |7.030078|8.942621|17.717445|8.940759|5.653131|4.972035|5.679509|5.671524|3.569324|6.474800|2.847347|0.073964|2.418145|0.068693|2.984092|0.055606|0.058352|2.366371|2.901748|0.083125|3.482051|6.068058|2.178234|3.348219|2.195212|3.847050|3.682683|2.152785|2.184578|1.933702|1.735166|1.716845|1.886269|3.248214|0.151651|0.154308|0.225714|0.500000| |4.092960|5.624833|8.931547|17.718077|8.918996|5.661889|4.975781|4.926933|3.101750|5.575148|2.553664|0.069814|2.152579|0.059092|2.696566|0.051449|0.051885|2.148367|2.550238|0.069522|3.101822|5.605741|2.075424|3.203418|1.957655|3.347503|3.352001|1.971093|2.053694|1.848066|1.644987|1.599317|1.728100|2.934288|0.099237|0.099938|0.113785|0.216294|0.500000| |3.534617|4.910204|5.640818|8.898557|17.729195|8.921802|5.651188|5.692220|3.509494|6.090061|2.932124|0.084328|2.387114|0.063173|3.007833|0.058159|0.056415|2.429838|2.868458|0.074251|3.600501|6.588037|2.446464|3.710884|2.131243|3.546241|3.672027|2.202288|2.343380|2.092851|1.827741|1.755279|1.896531|3.169979|0.090134|0.090087|0.090393|0.124198|0.214212|0.500000| |4.086573|5.625741|4.972919|5.658433|8.903796|17.726873|8.954986|9.917712|5.558306|8.703209|4.532322|0.136989|3.342462|0.084876|4.155891|0.079478|0.074987|3.462302|4.316317|0.103978|5.927716|10.252346|3.526298|5.032391|2.826859|4.575959|4.775218|2.980599|3.178855|2.692782|2.288244|2.205817|2.451537|4.044284|0.108351|0.107418|0.096069|0.107862|0.124177|0.214432|0.500000| 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|2.297430|2.287114|1.993117|1.923187|2.093045|2.443807|2.588294|4.254510|3.100585|4.694878|3.981046|0.114957|4.064830|0.100140|7.973595|0.178550|0.152138|7.311882|4.691519|0.114294|3.867899|6.735447|10.022201|35.511004|7.387113|9.496956|15.073847|3.489502|3.001519|2.598484|2.529042|2.793087|3.306361|6.359100|0.069922|0.064136|0.057092|0.051034|0.048420|0.055149|0.072902|0.238780|0.190978|0.500000| |3.077229|3.188415|2.705322|2.607387|2.898496|3.529629|3.778014|6.327558|6.589933|12.315941|7.207126|0.222902|6.916750|0.153606|6.540541|0.130249|0.111293|4.074973|4.587930|0.112952|4.053866|5.889088|3.813297|5.923380|3.115001|5.408969|4.810980|8.926567|17.751152|8.963172|5.672329|4.962150|5.659341|7.579828|0.083076|0.095846|0.073833|0.067331|0.063961|0.074665|0.105480|0.091779|0.123536|0.081243|0.500000| |2.256817|2.315947|2.076724|2.040954|2.222488|2.528749|2.595144|3.979728|3.598374|6.898097|3.807421|0.114005|4.074669|0.100371|4.526163|0.096002|0.082537|2.829972|2.938639|0.075773|2.675361|4.160725|2.770669|4.668804|2.349111|4.144057|3.750704|5.629943|8.919350|17.740959|8.910144|5.640399|4.960082|6.520452|0.060759|0.069020|0.056616|0.053171|0.051821|0.059211|0.074763|0.068229|0.086923|0.065180|0.216608|0.500000| |1.902280|1.891463|1.707336|1.658849|1.767697|1.976612|2.058392|3.156336|2.749046|5.078620|3.036256|0.087127|3.548371|0.091257|4.236623|0.092653|0.081065|2.554914|2.511545|0.066621|2.219804|3.517051|2.478447|4.419289|2.225341|4.020722|3.560692|4.936451|5.654445|8.920863|17.725399|8.943884|5.665666|7.487125|0.052236|0.057769|0.048520|0.044550|0.042629|0.047154|0.057564|0.060742|0.074495|0.062701|0.124542|0.214345|0.500000| 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