Version2.1 2021-01-09T07:57:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cc2c(cc1C[NH2+][C@@H](C)c3[nH]c(=O)c4c(csc4n3)c5cccs5)O[C@@H](C2)C C12769827 RHF 6-31G(d) (6D,7F) CCOc1cc2c(cc1C[NH2+][C@@H](C)c3[nH]c(=O)c4c(csc4n3)c5cccs5)O[C@@H](C2)C C01[X(C24H26N3O3S2)] 168 C1 540 CCOc1cc2C[C@H](Oc2cc1C[NH2+][C@H](c1nc2scc(c2c(=O)[nH]1)c1cccs1)C)C CCOc1cc2C[C@H](Oc2cc1C[NH2+][C@H](c1nc2scc(c2c(=O)[nH]1)c1cccs1)C)C CCOc1cc2C[C@@H](C)Oc2cc1C[NH2+][C@@H](C)C3=Nc4scc(c5sccc5)c4C(=O)N3 InChIKey=CZXNSCWUBBGTJO-KGLIPLIRSA-O InChI=1S/C24H25N3O3S2/c1-4-29-18-9-15-8-13(2)30-19(15)10-16(18)11-25-14(3)22-26-23(28)21-17(12-32-24(21)27-22)20-6-5-7-31-20/h5-7,9-10,12-14,25H,4,8,11H2,1-3H3,(H,26,27,28)/p+1/t13-,14+/m1/s1 InChI=1/C24H25N3O3S2/c1-4-29-18-9-15-8-13(2)30-19(15)10-16(18)11-25-14(3)22-26-23(28)21-17(12-32-24(21)27-22)20-6-5-7-31-20/h5-7,9-10,12-14,25H,4,8,11H2,1-3H3,(H,26,27,28)/p+1/t13-,14+/m1/s1/fC24H26N3O3S2/h25-26H/q+1 CCOc1cc2c(cc1C[NH2+][C@@H](C)c3[nH]c(=O)c4c(csc4n3)c5cccs5)O[C@@H](C2)C C01[X(C24H26N3O3S2)] 168 C01 540 CCOc1cc2C[C@H](Oc2cc1C[NH2+][C@H](c1nc2scc(c2c(=O)[nH]1)c1cccs1)C)C CCO[C]1[CH][C]2[C]([CH][C]1C[NH2][C@H](C1=N[C]3[C]([C](=CS3)C3=[CH][CH]=[CH]S3)C(=O)N1)C)O[C@@H](C2)C CCO[C]1[CH][C]2C[C@@H](C)O[C]2[CH][C]1C[NH2][C@@H](C)C3=N[C]4SC=C([C]4C(=O)N3)c5sccc5 InChIKey=QIDZXOZFQUADGZ-KGLIPLIRSA-N InChI=1S/C24H26N3O3S2/c1-4-29-18-9-15-8-13(2)30-19(15)10-16(18)11-25-14(3)22-26-23(28)21-17(12-32-24(21)27-22)20-6-5-7-31-20/h5-7,9-10,12-14H,4,8,11,25H2,1-3H3,(H,26,27,28)/t13-,14+/m1/s1 InChI=1/C24H26N3O3S2/c1-4-29-18-9-15-8-13(2)30-19(15)10-16(18)11-25-14(3)22-26-23(28)21-17(12-32-24(21)27-22)20-6-5-7-31-20/h5-7,9-10,12-14H,4,8,11,25H2,1-3H3,(H,26,27,28)/t13-,14+/m1/s1/f/h26H 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109.4338 123.6053 142.7633 148.8885 175.8227 180.2713 205.9606 220.9998 241.9607 245.7799 246.7183 267.0075 275.6404 285.7038 293.8041 314.0201 323.0047 338.0525 356.2123 362.5353 409.1139 409.4827 420.6325 429.0746 467.7473 476.1710 489.8204 512.7103 538.6641 555.7513 582.4700 593.1660 621.4677 636.6453 643.9964 664.8886 672.5519 682.0903 703.6998 727.4472 743.2113 750.5899 756.4248 797.1908 807.1464 811.5017 814.4492 815.1619 851.2434 871.0940 879.2029 892.0508 900.0091 901.6274 921.8866 928.2105 938.3658 952.0809 979.9228 985.6578 994.5412 1000.3053 1003.1403 1012.5668 1020.7457 1027.2143 1053.3335 1064.0562 1090.7532 1127.0830 1127.9356 1139.9331 1160.0227 1165.5542 1180.6170 1205.5436 1211.8366 1217.3130 1223.0156 1229.4172 1236.4663 1250.1157 1272.8826 1297.2845 1300.1416 1305.3061 1328.4485 1330.3205 1350.3643 1358.5676 1377.4341 1382.6826 1397.6247 1420.6798 1421.3614 1434.8601 1452.5010 1463.6752 1479.4638 1506.2079 1516.5924 1529.0560 1537.9685 1541.0428 1543.7934 1556.7656 1576.7354 1579.3240 1582.4448 1602.8805 1610.5227 1615.4713 1625.8422 1629.2736 1630.0243 1632.1219 1635.4130 1640.4747 1641.0897 1645.0852 1645.8740 1669.4406 1683.8408 1685.6330 1735.6804 1777.3534 1794.7967 1827.1130 1834.7176 1843.1820 2015.9284 3215.8730 3215.9592 3220.6656 3231.0011 3235.1218 3237.3965 3263.7748 3272.4459 3277.1866 3281.0341 3287.5080 3294.1871 3298.9584 3300.6585 3308.1596 3318.2042 3342.0823 3388.0885 3395.7320 3408.7980 3411.9105 3445.5827 3451.2812 3590.5344 3668.5520 3841.9087 4.6599 8.9328 5.2736 6.4604 7.0241 3.3120 4.2019 5.5973 4.0748 4.3429 1.8816 5.4199 2.9812 8.2854 3.2932 4.8739 5.8521 3.9158 4.0100 1.4957 3.9846 1.8529 1.4370 2.7659 1.2969 4.1180 3.4450 4.1197 3.1869 6.9073 5.5251 5.8680 5.2281 3.5829 4.2296 3.4204 3.8330 4.4481 3.3708 5.9422 3.8652 4.2064 4.2864 6.9138 3.7557 2.4808 3.1441 4.4771 5.1866 4.4151 6.0373 5.7466 5.0886 3.6067 4.1822 6.1619 3.9425 4.7096 1.1815 5.0978 5.5869 8.4380 1.2907 2.0132 1.4540 2.9304 1.7012 2.8734 2.6518 1.6201 1.4194 1.7770 2.4115 2.2375 2.8951 1.4797 2.0085 1.3592 3.7147 1.8716 2.0798 3.0435 3.4045 2.5443 2.2274 4.3652 2.6837 2.6266 1.2026 1.9030 2.3819 2.0877 2.2307 2.7700 1.5754 1.9427 4.5061 1.7205 1.8703 1.9521 2.6033 1.4611 1.4625 1.3300 2.8975 1.6155 1.1059 1.9061 1.7792 1.3173 2.2174 1.5797 1.4472 2.1772 1.7752 1.2744 1.3778 1.4047 1.2515 1.3220 1.2626 3.6648 5.8384 1.8028 1.0590 1.0481 1.1017 1.3158 1.2851 1.0938 1.1104 1.1495 1.9646 1.4292 3.3030 6.0407 6.7210 9.0426 6.6166 8.3593 1.0780 10.0885 1.0478 1.0371 1.0559 1.0374 1.0581 1.0880 1.0863 1.1065 1.1005 1.0612 1.1028 1.1042 1.1073 1.1038 1.1044 1.1032 1.1117 1.0937 1.0920 1.0925 1.0949 1.1000 1.0960 1.0628 1.0889 1.0794 0.0002 0.0009 0.0011 0.0031 0.0072 0.0042 0.0079 0.0155 0.0118 0.0200 0.0118 0.0382 0.0268 0.0995 0.0430 0.0888 0.1121 0.0979 0.1154 0.0516 0.1418 0.0665 0.0604 0.1238 0.0624 0.2094 0.2002 0.2532 0.2146 0.5164 0.4278 0.5787 0.5165 0.3735 0.4588 0.4409 0.5121 0.6288 0.5221 1.0159 0.7034 0.8408 0.8886 1.5733 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0.9683 1.0108 8.6913 8.3670 40.3531 42.4734 42.8325 28.2696 13.5999 10.5037 4.8326 2.8246 7.6489 4.2566 5.4744 1.6352 5.6371 126.8686 228.3205 98.5661 2.9937 1.5700 1.5647 8.1185 0.8901 0.4454 2.0930 1.8053 0.3761 0.8528 0.2058 2.0786 0.2522 0.9888 0.1129 2.9530 0.3288 0.7169 0.3835 0.5640 2.4216 1.2597 0.3915 1.7487 0.3577 2.3333 3.3777 1.0464 3.1570 1.5527 1.4826 4.3270 2.1750 0.4724 3.2838 1.9750 0.9754 2.3541 1.6714 4.3995 2.7838 0.9945 3.1069 2.0139 3.6733 1.6293 5.1072 3.7630 7.4800 0.9694 2.8005 2.1534 2.2277 1.0175 0.9868 4.8216 2.2447 5.0212 2.4060 11.2373 6.1141 4.4254 2.1068 12.0001 5.3510 4.1196 4.5555 2.6359 4.2123 4.9503 1.4059 2.9922 3.0283 1.0874 6.0593 1.2389 5.1764 3.4883 16.9074 2.5342 4.5423 3.1451 5.4924 9.1384 4.8255 4.0845 2.0185 2.8232 9.7173 5.0705 3.8433 3.0543 2.5987 4.9485 0.5715 1.2939 9.8069 4.8378 5.9317 23.3547 8.1500 6.4502 3.2421 6.8095 7.2945 3.2815 11.2833 21.6216 23.2295 7.1332 13.3781 16.9336 4.1044 3.9593 21.2775 4.9650 31.5061 2.8450 1.2661 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1 6 6 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 12.00000 1.00783 12.00000 12.00000 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 7625.2778 40131.2415 44055.4690 0.99999 0.00312 -0.00055 -0.00312 0.99992 0.01216 0.00059 -0.01216 0.99993 1 0.01136 0.00216 0.00197 0.23668 0.04497 0.04097 11.46 19.16 26.52 41.37 60.13 66.97 81.34 98.54 101.00 127.05 148.57 157.45 177.84 205.40 214.22 252.97 259.37 296.33 317.97 348.13 353.62 354.97 384.16 396.59 411.06 422.72 451.80 464.73 486.38 512.51 521.61 588.62 589.15 605.20 617.34 672.98 685.10 704.74 737.68 775.02 799.60 838.04 853.43 894.15 915.99 926.57 956.63 967.65 981.38 1012.47 1046.63 1069.32 1079.93 1088.33 1146.98 1161.30 1167.57 1171.81 1172.84 1224.75 1253.31 1264.98 1283.46 1294.91 1297.24 1326.39 1335.49 1350.10 1369.83 1409.89 1418.14 1430.92 1439.22 1443.30 1456.86 1468.63 1477.93 1515.51 1530.94 1569.35 1621.62 1622.85 1640.11 1669.01 1676.97 1698.64 1734.51 1743.56 1751.44 1759.65 1768.86 1779.00 1798.64 1831.39 1866.50 1870.61 1878.04 1911.34 1914.03 1942.87 1954.68 1981.82 1989.37 2010.87 2044.04 2045.02 2064.44 2089.82 2105.90 2128.62 2167.10 2182.04 2199.97 2212.79 2217.22 2221.17 2239.84 2268.57 2272.29 2276.79 2306.19 2317.18 2324.30 2339.22 2344.16 2345.24 2348.26 2352.99 2360.28 2361.16 2366.91 2368.05 2401.95 2422.67 2425.25 2497.26 2557.22 2582.31 2628.81 2639.75 2651.93 2900.47 4626.92 4627.05 4633.82 4648.69 4654.62 4657.89 4695.84 4708.32 4715.14 4720.68 4729.99 4739.60 4746.47 4748.91 4759.70 4774.16 4808.51 4874.70 4885.70 4904.50 4908.98 4957.43 4965.62 5165.98 5278.23 5527.65 0.506085 0.534125 0.535069 0.442231 -2106.239204 -2106.211165 -2106.210221 -2106.303059 3.113802D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE CCOc1cc2c(cc1C[NH2+][C@@H](C)c3[nH]c(=O)c4c(csc4n3)c5cccs5)O[C@@H](C2)C C12769827 RHF 6-31G(d) (6D,10F) C1 468.141561 |X|Y|Z| 58.193699 34.425043 143.216078 65.954952 26 6 7 8 16 20 3 1 2 |36.858105| |12.585008|36.858105| |8.015471|13.394985|73.516695| |5.193156|7.900441|24.818927|36.858105| |4.374442|6.635843|13.909408|13.706446|36.858105| |3.331798|4.488363|9.248630|8.002744|13.805357|36.858105| |2.977573|3.782188|8.233709|6.921013|7.929482|13.781387|36.858105| |3.184070|3.951118|9.348455|7.871963|6.787182|7.918999|13.838696|36.858105| |4.079635|5.232085|14.534179|13.666595|7.884055|6.915003|8.017551|13.683166|36.858105| |4.060243|4.638714|12.480549|7.618933|5.033423|4.474129|5.065604|7.589560|12.671684|36.858105| |4.283413|4.616737|12.032834|6.269044|4.393533|3.814357|4.082256|5.395838|7.716776|12.656757|53.358707| |5.389830|5.832925|16.213055|7.156983|4.845070|3.950093|3.983181|4.956245|7.331533|9.342897|25.624004|0.500000| |3.722542|4.097864|10.116611|5.745608|4.295237|3.870976|4.224248|5.527298|7.129457|9.122302|25.535337|0.328124|0.500000| |3.759956|3.704173|8.507037|4.289612|3.295169|2.945951|3.138621|3.935026|4.956771|7.488693|17.350202|0.255032|0.258547|36.858105| |3.289438|3.283743|7.418462|3.930956|3.076857|2.830105|3.096959|3.948620|4.761338|7.486311|12.447470|0.183748|0.203516|17.584908|0.500000| |4.408549|3.945330|8.496562|3.933047|3.072954|2.675668|2.741594|3.282772|4.147269|5.666260|10.447874|0.212473|0.162146|12.455623|0.245505|36.858105| |3.146891|3.105112|6.743615|3.519248|2.868459|2.629562|2.796801|3.374242|3.950729|5.114211|10.653201|0.180155|0.225657|12.523566|0.249048|7.456916|36.858105| |2.733867|2.628059|5.452532|2.844894|2.394612|2.221290|2.349133|2.760264|3.127987|3.905533|7.031741|0.127288|0.143656|7.764232|0.191953|6.280002|14.140896|53.358707| |2.702365|2.552090|5.236431|2.706299|2.278417|2.109383|2.225153|2.609658|2.963784|3.744002|6.401431|0.117247|0.124132|7.274654|0.194901|6.699627|9.275810|25.964528|0.500000| |2.349061|2.271073|4.584725|2.433126|2.113459|1.988872|2.094666|2.398652|2.633751|3.110710|5.314654|0.099639|0.113395|5.011671|0.129131|4.356460|7.790143|18.352904|0.260372|36.858105| |2.130939|2.038761|4.038633|2.141842|1.883380|1.779432|1.866374|2.112450|2.297890|2.683396|4.388954|0.083565|0.091473|4.060447|0.108584|3.772321|5.454052|11.556267|0.220927|16.049632|73.516695| |2.298306|2.273548|4.595016|2.483916|2.187019|2.075538|2.186419|2.477567|2.679338|3.052253|5.250216|0.099304|0.118992|4.485206|0.113113|3.764924|6.985682|10.924938|0.161949|13.067457|14.147103|36.858105| |2.007302|1.995711|3.945834|2.158733|1.951680|1.875350|1.964321|2.172502|2.296475|2.524177|4.146896|0.080174|0.093623|3.357514|0.086760|2.941821|4.586234|6.857542|0.114791|7.259376|10.815537|13.150106|36.858105| |1.994760|2.018368|3.984087|2.211548|2.028047|1.964092|2.052266|2.240074|2.338327|2.496957|4.072397|0.079517|0.094286|3.123842|0.080202|2.716030|4.107380|5.602719|0.095213|5.128088|7.684855|8.282931|14.147662|36.858105| |2.310159|2.393348|4.839930|2.719874|2.470836|2.384667|2.500700|2.754838|2.893495|3.048994|5.143185|0.100129|0.126431|3.726297|0.092952|3.099332|4.949021|5.974996|0.099133|4.826539|6.827185|7.418715|7.360873|10.996228|388.023441| |2.563222|2.595256|5.375770|2.935570|2.555539|2.416023|2.554496|2.926035|3.192176|3.608082|6.524245|0.122138|0.159250|5.209349|0.125629|4.089055|8.495701|9.885080|0.146110|7.868313|9.525583|13.973127|8.136811|7.774757|78.822914|36.858105| |3.035937|3.102672|6.739239|3.638179|3.024039|2.801348|2.981589|3.550037|4.057510|4.840836|9.971097|0.175602|0.261546|7.922188|0.173257|5.394509|14.978773|11.215480|0.164997|6.651395|8.376434|7.808586|5.193319|5.009667|50.015155|13.844850|53.358707| |1.780753|1.753269|3.410850|1.862055|1.700169|1.639584|1.710933|1.873849|1.967786|2.154770|3.432033|0.066858|0.075306|2.798832|0.073988|2.547161|3.593944|5.606796|0.100486|5.855761|10.537382|7.279834|12.885821|7.687309|33.773439|5.065967|5.162171|36.858105| |1.687603|1.648851|3.155141|1.711703|1.577811|1.516546|1.564514|1.692818|1.780720|1.926446|3.039992|0.060309|0.065893|2.448748|0.064373|2.300341|3.029189|4.644593|0.085828|4.517444|8.423227|5.191834|7.541221|5.880902|27.991233|4.007783|4.312912|14.125950|36.858105| |1.516693|1.479608|2.814436|1.532102|1.419976|1.372028|1.417370|1.527333|1.595431|1.723079|2.662878|0.052727|0.057065|2.145247|0.057386|2.037425|2.569735|3.955216|0.075513|3.698699|7.241790|3.939110|5.078394|4.219741|21.963915|3.163903|3.574967|8.205454|13.282620|36.858105| |1.474966|1.445158|2.768688|1.517083|1.402378|1.363125|1.420805|1.539058|1.597447|1.736747|2.658462|0.051994|0.056919|2.157557|0.058700|2.025393|2.576596|4.012400|0.077283|3.760810|7.540657|3.893555|4.853222|3.960471|21.093453|3.103975|3.541676|7.700545|8.249505|14.168194|36.858105| |1.612562|1.592230|3.102268|1.709758|1.564594|1.524602|1.607533|1.764360|1.828951|2.013540|3.113487|0.059813|0.067494|2.557238|0.070044|2.322649|3.161282|5.004934|0.093772|4.957373|9.723750|5.282115|6.764865|5.021031|25.953318|3.965450|4.368514|10.978133|7.462230|7.461260|11.057848|388.023441| |2.469405|3.013082|6.214003|4.661000|5.342483|8.366596|14.208561|7.897675|5.228623|3.872408|4.437012|0.087513|0.094790|2.646505|0.073596|2.329182|2.428698|2.844457|0.055128|1.900459|3.040979|1.992868|1.823269|1.915075|16.310535|2.293660|3.529424|1.604518|1.471033|1.342738|1.351081|10.829710|73.516695| |2.357799|2.886646|5.660766|4.092976|5.108560|8.054308|8.438231|5.312203|4.143133|3.169174|3.807761|0.077317|0.081166|2.311479|0.063298|2.085910|2.154612|2.553710|0.049522|1.728549|2.783691|1.822054|1.690772|1.789405|15.119203|2.082966|3.145859|1.497701|1.388096|1.269180|1.268782|10.052873|23.541907|36.858105| |2.252514|2.724212|5.330311|3.760868|4.567973|6.557153|6.824800|4.756465|3.810273|2.988883|3.716671|0.075439|0.080914|2.266805|0.061629|2.031756|2.158604|2.559012|0.049230|1.750452|2.811283|1.870210|1.751089|1.876493|15.971929|2.150023|3.205345|1.545271|1.432297|1.305622|1.302342|10.323974|16.667745|17.572763|0.500000| |2.751933|3.520102|6.698062|4.953783|7.227453|12.632619|8.173709|5.216620|4.495721|3.320098|4.005998|0.084104|0.083692|2.395851|0.064497|2.209847|2.199112|2.592565|0.050425|1.740540|2.801053|1.823721|1.681297|1.771564|15.006361|2.088683|3.190982|1.487973|1.387614|1.264562|1.255590|9.891962|14.249315|12.320206|0.244428|36.858105| |2.047143|2.435761|4.660256|3.207560|3.816276|5.220882|5.470745|4.021364|3.265522|2.646217|3.185266|0.064380|0.067006|1.997593|0.055373|1.827750|1.868225|2.257167|0.044172|1.539343|2.507997|1.609176|1.506300|1.583871|13.068001|1.805686|2.688528|1.352630|1.259744|1.162849|1.166433|9.178348|14.092722|12.591971|0.246732|7.358423|36.858105| |17.573115|8.849378|12.828881|4.878196|3.997296|3.141594|2.889994|3.158419|4.059804|4.251891|5.893012|0.145718|0.101287|3.941954|0.097734|4.841058|3.177173|3.801396|0.078278|2.364345|3.841364|2.265664|1.964867|1.928126|15.691025|2.493612|4.040889|1.754987|1.656583|1.498485|1.467338|11.432929|4.280550|2.263014|0.059556|2.596793|1.988661|0.500000| |17.577255|8.903164|10.203475|4.220745|3.831845|3.002288|2.656624|2.764877|3.385646|3.313618|4.697016|0.115322|0.085941|3.114562|0.077222|3.604807|2.700422|3.272659|0.066249|2.111959|3.450207|2.073006|1.841506|1.835145|14.890054|2.280719|3.575743|1.652717|1.582620|1.430997|1.386851|10.664146|4.006213|2.193996|0.058348|2.570681|1.931902|0.301265|0.500000| |17.559246|8.841919|12.787334|4.785841|3.986412|3.114368|2.838717|3.073395|3.922745|4.038443|6.282599|0.167202|0.112127|4.141317|0.096935|4.990289|3.537296|4.155490|0.083020|2.612781|4.176620|2.559102|2.214541|2.193803|18.149466|2.867439|4.646757|1.948718|1.848479|1.645054|1.589074|12.368942|4.213766|2.256196|0.060795|2.584202|1.951632|0.299703|0.301740|0.500000| |8.856064|17.584099|16.493679|6.938210|6.727442|4.558498|3.709262|3.723020|4.681420|4.032801|5.665061|0.144149|0.107997|3.353945|0.082266|3.478241|2.945590|3.402950|0.066565|2.204292|3.512292|2.249809|2.000683|2.052380|17.443435|2.586554|4.131278|1.752617|1.657242|1.481376|1.438049|11.219812|5.326939|2.956988|0.078874|3.671218|2.468798|0.173346|0.212856|0.212381|0.500000| |8.842677|17.588251|16.532779|7.216633|6.779155|4.644787|3.824054|3.873532|4.912337|4.238107|5.367410|0.129514|0.098120|3.241502|0.082652|3.421982|2.725524|3.197808|0.063993|2.047752|3.304030|2.041718|1.810320|1.829590|15.224636|2.301228|3.685781|1.607204|1.514386|1.371326|1.345576|10.503605|5.462289|2.972564|0.076234|3.708743|2.545190|0.211901|0.212648|0.173132|0.300601|0.500000| |4.645823|7.335227|12.441591|8.855819|17.761586|8.934047|5.647288|4.910775|5.611739|4.096697|5.137890|0.118410|0.102076|2.956292|0.076082|2.853498|2.615214|3.022721|0.058943|1.980685|3.162601|2.047676|1.845402|1.919044|16.416878|2.365565|3.738913|1.619782|1.518471|1.368996|1.344282|10.557271|7.681047|4.445134|0.112937|6.499328|3.484112|0.113361|0.117430|0.115011|0.229961|0.217828|0.500000| |2.792911|3.304517|7.550144|5.601953|4.908215|5.639846|8.933779|17.728100|8.833618|6.969117|6.852768|0.122069|0.145838|3.894108|0.113278|3.166273|3.392655|3.822581|0.073872|2.448866|3.841577|2.521429|2.210961|2.267423|19.617465|2.950810|4.819471|1.911897|1.712336|1.551762|1.578234|12.982121|12.553266|4.684956|0.119526|4.273140|3.770706|0.078103|0.068048|0.075833|0.086561|0.089905|0.106823|0.500000| |3.311960|3.679223|8.953281|5.597062|4.176091|3.994579|4.792202|7.314199|8.870765|17.644504|12.387338|0.181973|0.219425|6.911074|0.223208|4.967277|5.038252|5.375272|0.105487|3.166057|4.870498|3.092827|2.559538|2.517091|21.592181|3.608883|6.442664|2.192377|1.938526|1.744085|1.778793|14.839494|6.863523|3.080639|0.081073|3.087758|2.617355|0.096553|0.077678|0.092052|0.091612|0.095914|0.095979|0.222559|0.500000| |4.458635|4.883798|12.667277|6.811850|4.628960|4.007510|4.321683|5.855450|8.834370|17.633533|12.420397|0.223382|0.179997|6.976016|0.199118|6.185991|4.585274|5.024475|0.102193|2.927782|4.587530|2.791882|2.324699|2.269341|19.107672|3.185655|5.621710|2.021682|1.826188|1.647154|1.659238|13.520407|6.054382|2.865612|0.074254|3.058374|2.456543|0.137859|0.099728|0.119485|0.112195|0.126709|0.108879|0.150234|0.300490|0.500000| |4.969074|4.243533|8.779230|3.904845|3.098889|2.652709|2.652037|3.090957|3.896333|4.892364|9.299221|0.216636|0.154006|8.786110|0.173038|17.574657|6.845706|7.866160|0.161294|4.271023|6.550614|3.813446|3.010487|2.806059|22.911956|4.185842|7.359089|2.591492|2.374878|2.079891|2.033227|16.366204|4.006858|2.054068|0.055979|2.202897|1.792104|0.144672|0.112018|0.169800|0.105905|0.098781|0.081617|0.081255|0.116816|0.142823|0.500000| |3.676275|3.267074|6.712794|3.229426|2.622449|2.334742|2.404494|2.833775|3.419613|4.491794|7.573928|0.149082|0.128251|8.802260|0.213719|17.608966|6.667908|9.152531|0.228890|4.631965|7.431464|3.753478|2.940515|2.643923|20.604845|3.839207|6.446685|2.608369|2.359572|2.111200|2.111589|17.164658|3.713123|1.880638|0.051010|1.971182|1.671655|0.112554|0.087122|0.113661|0.081422|0.080919|0.068308|0.077465|0.116599|0.135614|0.301694|0.500000| |4.988026|4.389993|9.493026|4.263223|3.271398|2.808516|2.857072|3.427831|4.434489|6.119897|9.626931|0.202704|0.144983|8.810608|0.210612|17.590069|5.466407|6.406058|0.139861|3.515755|5.575381|3.126873|2.534936|2.380960|19.287865|3.399325|5.918359|2.229676|2.034752|1.826750|1.821102|14.679599|4.274575|2.147770|0.057323|2.300987|1.888510|0.164135|0.110718|0.148101|0.102754|0.107499|0.084317|0.090678|0.143371|0.210916|0.300064|0.303480|0.500000| |1.825050|1.852232|3.608985|2.016415|1.879440|1.835055|1.908998|2.051055|2.114580|2.219360|3.528818|0.069543|0.080799|2.664723|0.069207|2.361703|3.341362|4.559618|0.080137|4.043837|6.400126|5.709934|8.815836|17.796537|55.353456|5.454202|5.379347|6.794385|5.810679|4.291046|3.951236|33.474023|3.206189|1.703188|0.049888|1.679299|1.518517|0.048890|0.047101|0.055333|0.052638|0.046993|0.049726|0.057628|0.062143|0.056385|0.067796|0.064018|0.058482|0.500000| |1.739944|1.694514|3.216936|1.735026|1.605086|1.534055|1.568337|1.686869|1.784001|1.913953|3.038726|0.061123|0.065859|2.418514|0.062671|2.299657|2.971061|4.449173|0.082002|4.174311|7.518894|4.868981|6.724218|5.803644|28.481006|3.953029|4.284652|8.923970|17.741633|8.587093|5.736592|37.717639|2.613255|1.396161|0.040091|1.405071|1.263405|0.047075|0.045495|0.053278|0.047642|0.043044|0.043170|0.046977|0.052900|0.050447|0.067083|0.064937|0.056541|0.162351|0.500000| |1.438175|1.398575|2.636296|1.432424|1.335327|1.289337|1.324544|1.417849|1.480590|1.588352|2.436725|0.048625|0.051905|1.947994|0.052071|1.875723|2.287790|3.477283|0.067220|3.138327|6.108184|3.291995|4.051452|3.544852|19.274812|2.742706|3.173054|5.719106|8.589406|17.754821|8.914391|37.721562|2.235781|1.195674|0.034148|1.194661|1.099743|0.039421|0.037941|0.043242|0.038983|0.036107|0.035951|0.039861|0.044453|0.042405|0.053443|0.053963|0.047095|0.101783|0.201410|0.500000| 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