Version2.4 2021-05-26T05:42:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN1[C@@H](Nc2cc(ccc2C1=O)C(=O)[O-])SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-] C39646932 RHF 6-31G(d) (6D,7F) CCN1[C@@H](Nc2cc(ccc2C1=O)C(=O)[O-])SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-] C01[X(C21H16N4O6S1)] 138 C1 516 CCN1[C@H](SCc2[nH]c(=O)c3c(n2)cc(cc3)C(=O)[O-])Nc2c(C1=O)ccc(c2)C(=O)[O-] CCN1[C@H](SCc2[nH]c(=O)c3c(n2)cc(cc3)C(=O)[O-])Nc2c(C1=O)ccc(c2)C(=O)[O-] CCN1[C@@H](Nc2cc(ccc2C1=O)C([O-])=O)SCC3=Nc4cc(ccc4C(=O)N3)C([O-])=O InChIKey=WXWPVJRCVIWVCN-OAQYLSRUSA-L InChI=1S/C21H18N4O6S/c1-2-25-18(27)13-6-4-11(20(30)31)8-15(13)23-21(25)32-9-16-22-14-7-10(19(28)29)3-5-12(14)17(26)24-16/h3-8,21,23H,2,9H2,1H3,(H,28,29)(H,30,31)(H,22,24,26)/p-2/t21-/m1/s1 InChI=1/C21H18N4O6S/c1-2-25-18(27)13-6-4-11(20(30)31)8-15(13)23-21(25)32-9-16-22-14-7-10(19(28)29)3-5-12(14)17(26)24-16/h3-8,21,23H,2,9H2,1H3,(H,28,29)(H,30,31)(H,22,24,26)/p-2/t21-/m1/s1/fC21H16N4O6S/h24H/q-2 CCN1[C@@H](Nc2cc(ccc2C1=O)C(=O)[O-])SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-] C01[X(C21H16N4O6S1)] 138 C01 516 CCN1[C@H](SCc2[nH]c(=O)c3c(n2)cc(cc3)C(=O)[O-])Nc2c(C1=O)ccc(c2)C(=O)[O-] CCN1[C@H](SCC2=N[C]3[C]([CH][CH][C]([CH]3)[C](=O)=O)C(=O)N2)N[C]2[C]([CH][CH][C]([CH]2)[C](=O)=O)C1=O CCN1[C@@H](N[C]2[CH][C]([CH][CH][C]2C1=O)[C](=O)=O)SCC3=N[C]4[CH][C]([CH][CH][C]4C(=O)N3)[C](=O)=O InChIKey=HHMRSORVVUFLHO-OAQYLSRUSA-N InChI=1S/C21H16N4O6S/c1-2-25-18(27)13-6-4-11(20(30)31)8-15(13)23-21(25)32-9-16-22-14-7-10(19(28)29)3-5-12(14)17(26)24-16/h3-8,21,23H,2,9H2,1H3,(H,22,24,26)/t21-/m1/s1 InChI=1/C21H16N4O6S/c1-2-25-18(27)13-6-4-11(20(30)31)8-15(13)23-21(25)32-9-16-22-14-7-10(19(28)29)3-5-12(14)17(26)24-16/h3-8,21,23H,2,9H2,1H3,(H,22,24,26)/t21-/m1/s1/f/h24H 3192.5248539636 -1869.1543503 1-A 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481.5494 490.8483 508.0984 531.2896 534.4523 545.8587 577.0546 591.8927 596.2931 613.0281 620.5175 635.5327 645.0065 656.8121 679.0126 695.3298 707.7053 749.6162 766.9630 772.0453 773.2364 797.1992 821.7735 839.1332 849.6259 858.0076 865.4504 880.8156 888.4562 892.6166 893.9017 910.1245 972.5141 977.3106 1000.3227 1005.6814 1016.1354 1024.7975 1030.8800 1062.7501 1085.4466 1114.8529 1118.1584 1121.4691 1167.3133 1177.7618 1199.3875 1211.7231 1215.0609 1218.3661 1237.9563 1252.3530 1269.9326 1289.4093 1295.4186 1320.9040 1322.0008 1365.4710 1376.3843 1389.9252 1395.0922 1402.6004 1423.0242 1429.7711 1480.7708 1489.3181 1494.4920 1518.0725 1521.8965 1525.4903 1535.9388 1564.8019 1568.5870 1598.3018 1604.1253 1621.1923 1638.7236 1638.9705 1647.2733 1660.1304 1660.9993 1683.8844 1746.6851 1769.4553 1802.9230 1810.7484 1886.8556 1897.4349 1923.0077 1925.9886 1943.2741 3202.6225 3232.7487 3237.3762 3247.2807 3277.1688 3283.2701 3289.2711 3319.8214 3381.6565 3385.1730 3391.7109 3417.8431 3419.7951 3427.2965 3841.4450 3850.8844 10.0853 8.3338 7.2880 6.7132 8.3959 10.9188 8.9399 5.7583 7.7903 7.1595 4.7973 4.0282 4.1811 6.2837 7.6930 5.2664 5.0191 4.9483 1.5110 6.5732 2.8664 8.0621 8.4420 9.3321 5.8844 4.9522 4.2850 7.2763 4.7906 4.5396 5.2832 3.5784 3.3043 6.6578 7.4720 9.0492 5.1131 2.9215 5.9427 4.5693 9.3191 5.5030 5.8755 4.0288 1.5355 6.7455 2.9729 2.6976 6.0062 5.3386 5.6565 5.2343 3.7868 5.9791 1.8390 4.1716 2.8483 3.4991 4.5706 5.4705 8.8490 6.0490 4.0324 1.5976 1.7090 3.3263 1.8382 2.9499 1.6632 4.9588 1.4740 3.3843 1.3142 4.5413 1.3147 2.5205 2.8685 2.2399 1.8532 1.6559 2.2575 1.8338 2.4718 2.7481 2.8270 3.1345 3.0779 1.1686 1.8676 2.1406 1.6256 2.5573 3.4850 2.3852 2.8648 1.5318 1.3032 1.5921 4.4109 11.3619 1.6312 2.3222 1.3800 5.9104 1.7331 1.7549 1.2755 1.1815 1.2804 1.6450 1.2571 1.9908 2.1653 8.1750 7.2917 6.2498 5.5215 8.7586 11.3727 12.5090 12.5353 8.9917 1.0488 1.0776 1.0585 1.0734 1.0911 1.1063 1.1005 1.1058 1.0903 1.0902 1.0912 1.0935 1.0937 1.0919 1.0767 1.0790 0.0006 0.0010 0.0028 0.0072 0.0117 0.0166 0.0171 0.0177 0.0373 0.0391 0.0296 0.0411 0.0447 0.0818 0.1347 0.0958 0.0974 0.1262 0.0462 0.2486 0.1272 0.4079 0.4361 0.4944 0.3497 0.3270 0.2922 0.5742 0.4027 0.4719 0.6327 0.4889 0.4691 1.0127 1.2426 1.5229 0.8976 0.5732 1.2266 0.9572 2.0634 1.2484 1.3982 0.9875 0.3903 1.8324 0.8469 0.7960 1.9885 1.8502 1.9865 1.8439 1.4179 2.3790 0.7629 1.7742 1.2354 1.5441 2.0893 2.5442 4.1541 2.8478 1.9680 0.8902 0.9617 1.9610 1.0954 1.7946 1.0291 3.1049 0.9809 2.3493 0.9624 3.3453 0.9742 2.0235 2.3443 1.8984 1.6032 1.4404 1.9744 1.6558 2.2841 2.6112 2.7692 3.0992 3.1640 1.2033 2.0516 2.3893 1.8504 2.9325 4.0394 2.8458 3.4505 1.9789 1.7031 2.0952 5.9891 15.5050 2.2365 3.2277 1.9909 8.5681 2.6085 2.6606 1.9751 1.8693 2.0264 2.6299 2.0413 3.2361 3.6174 14.6949 13.4511 11.9694 10.6664 18.3722 24.1239 27.2542 27.3962 20.0061 6.3381 6.6349 6.5363 6.6689 6.9043 7.0266 7.0151 7.1804 7.3462 7.3605 7.3958 7.5261 7.5360 7.5571 9.3609 9.4274 9.0319 5.2836 2.5202 0.4767 1.4949 2.8913 0.4933 3.2550 3.7671 10.4712 1.5289 5.6809 6.1675 4.8767 2.0336 0.8134 4.0290 0.5665 1.2029 8.6032 0.9543 1.8100 1.0794 5.6599 1.7974 3.1257 11.8498 6.1195 19.1727 8.4918 6.6909 0.7699 0.8232 4.0700 11.0445 7.5956 27.5697 61.4031 4.7823 8.5270 2.1082 9.9846 17.6565 8.2398 39.7525 0.8172 49.0406 10.9288 78.2984 9.6517 1.4582 40.3626 36.8603 54.9156 59.6192 128.9776 87.7864 94.1344 5.2236 91.7874 29.4095 5.4953 84.1251 1.9923 2.4036 5.5135 11.7844 7.6374 25.8396 13.2387 13.8081 19.6240 0.5005 19.3861 0.0169 52.1002 11.2293 12.9241 42.0225 15.8056 6.6113 18.4841 6.1824 26.8732 23.7853 49.6439 88.4895 6.1091 57.9068 11.3872 25.1862 14.5041 40.4775 413.2107 34.7942 2.5540 114.7020 59.1521 807.0909 550.1138 55.3187 28.2753 56.4325 86.3510 117.8813 38.6063 4.5974 33.3402 55.1331 15.8723 3.2078 35.0663 214.5734 82.4691 96.4672 91.2567 210.4376 389.3646 487.3027 582.1858 447.7707 737.2888 54.2106 1.3090 9.9561 85.7197 38.6719 2.8706 28.3034 26.2223 9.2075 7.6924 4.0044 8.2358 6.2153 1.1511 25.1563 70.2445 2.6380 5.0904 4.9368 0.8936 0.9562 0.9113 0.0601 0.6818 0.7878 0.4587 1.2746 0.2378 2.4279 1.0718 0.4903 0.6834 0.5708 2.3786 0.4982 1.0630 2.4114 4.5827 6.4169 1.9281 2.8807 0.7377 3.2694 0.8637 3.9207 4.2472 3.0380 0.1574 0.7705 1.5108 0.5173 1.2513 5.0311 2.2575 1.4284 0.8001 9.9418 4.9281 1.6590 1.4239 2.5554 2.1051 7.8263 0.3732 34.2254 3.7075 10.7204 2.3292 1.2662 4.7463 2.1198 1.0272 7.1417 2.4130 3.0634 10.6222 7.3109 0.5189 3.5107 2.3725 2.7971 3.6523 2.6668 8.3499 2.7182 13.7629 1.7232 15.5327 0.3574 2.7761 0.0507 3.4544 3.6049 6.4632 4.9265 3.7305 2.6404 2.6882 1.9554 5.4043 11.9629 2.6188 8.7174 6.6840 1.2194 1.7337 14.5493 60.7271 71.0808 26.3209 71.2766 61.7438 4.0368 7.9224 14.1225 40.0503 6.3995 1.7177 9.0144 9.3873 15.4221 28.5435 3.5351 18.0282 20.0140 18.5212 4.0430 6.4139 2.8971 59.0701 4.9583 56.2745 111.1054 163.9146 67.4476 1.0035 0.6466 30.5720 148.5627 16.8245 111.6641 184.9861 64.4031 43.2648 88.7786 8.5746 59.0104 44.5527 63.1982 126.4447 114.8511 53.3013 51.5166 61.3640 0.7500 0.7484 0.7202 0.7400 0.6869 0.7487 0.5113 0.7458 0.7471 0.4461 0.7499 0.7308 0.7437 0.7343 0.3663 0.6901 0.4954 0.7362 0.1741 0.7490 0.4727 0.2940 0.3611 0.0842 0.7355 0.6745 0.3176 0.3735 0.3777 0.3224 0.2440 0.7391 0.7416 0.4711 0.6950 0.2086 0.3012 0.6953 0.7231 0.5742 0.1305 0.1693 0.1721 0.5488 0.7495 0.4030 0.7384 0.4554 0.1236 0.2444 0.6415 0.6388 0.7500 0.2396 0.1166 0.4980 0.7475 0.7497 0.7483 0.6817 0.0278 0.7486 0.0920 0.7382 0.7500 0.6152 0.6200 0.1792 0.5175 0.2658 0.7490 0.2236 0.7376 0.6939 0.7500 0.7498 0.1417 0.3857 0.0713 0.5003 0.5805 0.4726 0.4013 0.4575 0.5132 0.5230 0.7500 0.6713 0.5468 0.7494 0.1917 0.2915 0.1899 0.2940 0.1989 0.2598 0.7002 0.6424 0.2906 0.1550 0.1209 0.7052 0.3956 0.7357 0.6585 0.2551 0.6407 0.7295 0.7350 0.5632 0.7472 0.7386 0.7079 0.4378 0.5516 0.7498 0.4891 0.3040 0.1367 0.4479 0.6822 0.1524 0.2110 0.7381 0.0881 0.1501 0.7309 0.7408 0.6181 0.7495 0.4230 0.4732 0.2741 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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 6 6 7 6 1 7 6 6 6 6 6 6 6 8 6 8 8 16 6 6 7 1 6 8 6 6 6 6 6 6 7 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 31.97207 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 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 8298.6468 31481.4910 35241.2960 0.99999 0.00544 -0.00047 -0.00544 0.99996 0.00645 0.00051 -0.00645 0.99998 1 0.01044 0.00275 0.00246 0.21747 0.05733 0.05121 15.03 20.92 36.89 61.47 69.97 73.10 81.99 103.89 129.72 138.46 147.31 189.30 193.77 213.84 248.04 252.78 261.13 299.40 327.69 364.55 394.85 421.64 426.05 431.42 456.92 481.66 489.45 526.56 543.42 604.34 648.68 692.84 706.22 731.04 764.41 768.96 785.37 830.25 851.60 857.93 882.01 892.79 914.39 928.02 945.01 976.95 1000.42 1018.23 1078.53 1103.49 1110.80 1112.51 1146.99 1182.35 1207.33 1222.42 1234.48 1245.19 1267.30 1278.29 1284.28 1286.13 1309.47 1399.23 1406.13 1439.24 1446.95 1461.99 1474.46 1483.21 1529.06 1561.72 1604.02 1608.78 1613.54 1679.50 1694.54 1725.65 1743.40 1748.20 1752.96 1781.14 1801.86 1827.15 1855.17 1863.82 1900.49 1902.06 1964.61 1980.31 1999.79 2007.23 2018.03 2047.41 2057.12 2130.50 2142.80 2150.24 2184.17 2189.67 2194.84 2209.87 2251.40 2256.85 2299.60 2307.98 2332.53 2357.76 2358.11 2370.06 2388.56 2389.81 2422.73 2513.09 2545.85 2594.00 2605.26 2714.76 2729.99 2766.78 2771.07 2795.94 4607.86 4651.20 4657.86 4672.11 4715.11 4723.89 4732.53 4776.48 4865.45 4870.51 4879.92 4917.51 4920.32 4931.12 5526.98 5540.56 0.379404 0.405328 0.406272 0.318702 -1868.774946 -1868.749022 -1868.748078 -1868.835648 2.937112D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CCN1[C@@H](Nc2cc(ccc2C1=O)C(=O)[O-])SCc3[nH]c(=O)c4ccc(cc4n3)C(=O)[O-] C39646932 RHF 6-31G(d) (6D,10F) C1 452.079056 |X|Y|Z| 58.373353 37.148227 124.058995 64.554571 22 6 7 16 17 4 1 |36.858105| |12.479862|36.858105| |7.567255|13.041844|53.358707| |5.482465|7.655603|17.983011|36.858105| |5.087573|7.367531|12.658097|17.600345|0.500000| |4.011759|5.167514|10.939574|13.299960|0.259711|53.358707| |3.700108|4.499458|9.330305|7.757721|0.160983|18.604482|36.858105| |2.928939|3.386424|6.218005|5.138398|0.118648|10.687675|13.688106|36.858105| |2.640429|2.952929|5.164738|3.929346|0.093218|7.032624|7.911111|13.784167|36.858105| |2.814054|3.100293|5.375181|3.770364|0.088836|6.220369|6.862158|7.927910|13.598205|36.858105| |3.464408|3.872101|7.000401|4.501367|0.102778|7.063659|7.922193|6.877606|7.921985|13.871241|36.858105| |4.217779|5.065815|10.722234|6.700829|0.141056|10.834033|13.722029|7.910081|6.831952|7.914500|13.625109|36.858105| |5.993506|7.855542|18.900019|7.658768|0.162164|9.306827|7.704976|5.077349|4.473176|5.070702|7.627711|12.948377|36.858105| |6.087699|7.125796|11.575996|5.325007|0.124841|6.510525|5.318624|4.004203|3.790805|4.503023|6.652965|8.068977|15.757451|73.516695| |2.178007|2.387423|3.966429|3.056944|0.075568|5.218413|4.970379|7.487010|12.251749|7.415425|4.970421|4.386263|3.277122|5.165677|36.858105| |2.064112|2.271179|3.740332|2.985996|0.075129|5.153717|4.585973|6.895790|8.096439|5.254003|4.004591|3.823329|2.967223|4.638849|15.487768|73.516695| |2.023026|2.181942|3.539752|2.647900|0.066029|4.318840|4.003357|5.289969|8.102213|6.842117|4.582977|3.819664|2.961967|4.836280|15.495700|15.166115|73.516695| |5.179318|5.617378|9.310354|10.266883|0.230506|9.299878|5.211975|4.089463|3.300334|3.150440|3.578120|4.668922|5.040326|7.132023|2.709871|4.783712|4.231894|388.023441| |4.748207|4.635981|7.910347|6.672169|0.141981|7.707155|5.374899|4.378434|3.708807|3.640746|4.146123|5.159604|5.185144|7.490991|2.998180|5.142209|4.728120|74.735785|36.858105| |4.049173|3.680321|5.619745|4.502016|0.106510|5.372010|3.796499|3.345567|2.985271|2.951493|3.241405|3.720869|3.785510|5.917816|2.551111|4.418313|4.124460|49.080881|12.614716|36.858105| |3.446917|3.116692|4.736475|3.617851|0.086449|4.568098|3.428466|3.150571|2.947380|2.969871|3.194248|3.457152|3.408504|5.508849|2.565346|4.380897|4.230561|33.689775|7.875551|13.852002|53.358707| |3.364162|3.097599|4.833727|3.619153|0.085057|4.718911|3.708957|3.450857|3.306932|3.387012|3.624614|3.813724|3.634471|5.876298|2.846972|4.770412|4.718324|31.328478|7.493259|9.219978|25.994831|0.500000| |2.918295|2.614679|3.827550|2.896053|0.071710|3.686735|2.749346|2.588582|2.470436|2.492217|2.631492|2.775232|2.759177|4.591127|2.223236|3.825156|3.730413|26.074729|5.092304|7.821815|18.774786|0.261606|36.858105| |2.583492|2.335083|3.415369|2.543384|0.063297|3.310166|2.524112|2.425974|2.378709|2.425553|2.521184|2.576436|2.526754|4.274771|2.177502|3.717874|3.716480|21.688842|4.093736|5.419239|11.562756|0.218586|15.819883|73.516695| |2.837118|2.524829|3.589785|2.755820|0.070080|3.438504|2.477945|2.317328|2.176284|2.170744|2.298284|2.466870|2.506439|4.176718|1.973494|3.445853|3.297856|25.629409|4.496737|6.973778|10.941694|0.161694|13.045446|14.196502|36.858105| |2.412635|2.159169|3.021698|2.299219|0.059550|2.903406|2.098417|1.989670|1.892469|1.890601|1.981119|2.093821|2.126551|3.598543|1.747609|3.061656|2.951934|20.459530|3.380990|4.614494|7.059038|0.117961|7.661356|11.641605|13.622725|36.858105| |2.273625|2.043024|2.811622|2.151268|0.056778|2.699890|1.920580|1.817621|1.717424|1.706768|1.789365|1.904200|1.951806|3.309220|1.593086|2.811832|2.686734|19.097803|2.971226|3.873982|5.439252|0.093416|5.093516|7.919153|7.941061|13.886792|36.858105| |2.435701|2.191565|2.984118|2.314178|0.061849|2.857228|1.989496|1.862226|1.732778|1.710880|1.806027|1.955167|2.026080|3.408442|1.596268|2.833342|2.669108|21.102632|3.128892|4.056615|5.243664|0.089318|4.483491|6.679209|6.831055|7.895376|13.573440|36.858105| |2.867825|2.570990|3.518923|2.774512|0.073727|3.355168|2.299421|2.119029|1.939965|1.907525|2.033388|2.244183|2.341546|3.880238|1.760812|3.125960|2.913654|26.834784|3.936870|5.374584|6.356353|0.104243|5.088001|7.072044|7.900604|6.856631|7.934778|13.800590|36.858105| |3.178454|2.827744|3.980344|3.133571|0.080509|3.791328|2.637871|2.417430|2.212554|2.183931|2.339171|2.586996|2.675892|4.390449|1.983358|3.492043|3.271335|31.325101|5.136861|8.344894|9.662165|0.143765|7.725279|9.401686|13.630948|7.872291|6.851789|7.889958|13.647268|36.858105| |3.850929|3.462487|5.002407|4.066413|0.101814|4.748875|3.224667|2.867014|2.552672|2.503918|2.727224|3.124082|3.256962|5.181779|2.230101|3.920981|3.620932|46.148442|7.828718|15.112516|11.162089|0.165008|6.687027|8.365100|7.800048|5.132762|4.559722|5.179942|7.918900|13.627757|53.358707| |2.170397|1.976421|2.653755|2.055552|0.056014|2.547794|1.762427|1.656197|1.542633|1.519886|1.599137|1.727799|1.796614|3.040882|1.432482|2.555133|2.401281|18.175667|2.577835|3.130876|4.013336|0.071040|3.283032|5.130619|4.387031|4.972857|7.437293|12.261075|7.460125|4.954750|5.230192|36.858105| |1.937248|1.770067|2.380434|1.827130|0.049718|2.292004|1.602918|1.519407|1.429585|1.412723|1.477759|1.578435|1.632571|2.784316|1.338595|2.384995|2.259149|15.734683|2.262330|2.703840|3.577191|0.064451|2.972618|4.810850|3.828966|4.600358|6.878810|8.104000|5.281040|3.997909|4.325510|15.469084|73.516695| |2.235078|2.051279|2.728635|2.131691|0.058931|2.618910|1.785042|1.667291|1.539058|1.510186|1.594378|1.739636|1.821230|3.070113|1.424575|2.550672|2.376637|18.925987|2.576113|3.048837|3.777756|0.067317|2.964045|4.604148|3.812086|3.996806|5.257508|8.090042|6.841261|4.557284|5.160079|15.501305|15.172018|73.516695| |17.594458|8.778453|9.204168|5.632896|0.143143|5.504359|3.661286|2.931122|2.615352|2.734354|3.287580|4.001047|5.257221|8.859515|2.173304|3.694951|3.568477|44.692517|5.692187|4.988389|5.473958|0.105346|3.355893|5.126080|3.321198|2.756626|2.593348|2.820556|3.424740|3.852927|6.610499|2.467752|3.854387|4.526506|0.500000| |17.609023|8.836600|9.302508|4.824115|0.119449|5.144836|3.701008|2.954528|2.735594|3.007708|3.792554|4.458730|6.438132|12.993220|2.242246|3.719032|3.744983|32.015644|4.620810|3.969222|4.825304|0.098673|2.996194|4.795785|2.827906|2.409655|2.234125|2.340704|2.712375|3.060102|4.941436|2.069469|3.320870|3.729025|0.299610|0.500000| |17.516545|8.864215|7.551964|4.372440|0.119568|4.569015|3.095447|2.530959|2.309412|2.450029|2.942224|3.454116|4.627484|8.667291|1.946172|3.298196|3.240350|29.928598|3.803611|3.424543|4.051898|0.080102|2.612948|4.157575|2.594971|2.260427|2.167717|2.333900|2.701899|2.899177|4.599334|2.121611|3.380886|3.912539|0.301347|0.301163|0.500000| |8.865793|17.582563|12.583870|7.621812|0.245542|6.841321|4.100448|3.171873|2.724427|2.774298|3.324073|4.270388|5.799925|9.157621|2.248777|3.874515|3.632895|41.431903|4.306716|3.509934|3.972402|0.079127|2.483542|3.920049|2.455781|2.113869|2.031409|2.214785|2.611713|2.806280|4.675918|2.023085|3.200462|3.789658|0.212041|0.173724|0.213676|0.500000| |8.881968|17.616882|12.566270|5.850979|0.161409|6.129232|4.116037|3.177823|2.841226|3.037688|3.811383|4.781135|7.370072|13.709293|2.312443|3.882615|3.799621|30.652310|3.767748|3.088315|3.695000|0.075963|2.323903|3.761260|2.234202|1.944763|1.845269|1.960304|2.253243|2.451497|3.956742|1.787903|2.878223|3.288792|0.173362|0.212663|0.215424|0.302579|0.500000| |3.475725|4.254904|7.976232|9.365563|0.220610|26.018430|9.449415|7.447436|4.848278|4.069306|4.317899|5.872382|5.069849|6.825786|3.818566|7.034965|5.530874|47.346282|5.359126|3.893635|4.484672|0.093321|2.687068|4.276409|2.533518|2.144801|2.004465|2.131109|2.505601|2.811290|4.775858|1.905430|3.041544|3.492875|0.099891|0.090475|0.082825|0.119754|0.103760|0.500000| |2.655998|3.052828|5.389042|4.693244|0.113585|9.657385|8.840461|17.732857|9.011842|5.656603|4.956027|5.620362|4.119383|5.940726|7.064465|14.054793|8.680233|27.918239|4.019750|3.173436|4.032526|0.088292|2.474240|4.111731|2.250205|1.944860|1.790876|1.843580|2.093985|2.362528|3.787898|1.649618|2.689732|2.963285|0.074768|0.073147|0.064708|0.081877|0.079266|0.219689|0.500000| |2.507452|2.700013|4.476044|3.120867|0.075431|4.948121|4.950767|5.667441|8.956091|17.767579|8.894786|5.619542|4.108998|6.882040|6.989827|8.617751|13.870641|19.211552|3.118996|2.635596|3.691593|0.085982|2.332746|4.114578|2.028631|1.790663|1.615957|1.605857|1.768713|2.012784|3.077459|1.432145|2.383949|2.518167|0.067627|0.074964|0.061652|0.067548|0.074358|0.092291|0.125049|0.500000| |3.512864|3.796969|6.437569|3.933334|0.092185|5.739505|5.658276|4.955699|5.622084|8.906145|17.729388|8.955502|7.106760|13.200724|4.047934|5.921445|7.019376|22.946642|3.737872|3.035607|4.137664|0.095588|2.549516|4.391065|2.226872|1.936058|1.748625|1.755590|1.960890|2.246060|3.510403|1.558070|2.570895|2.753360|0.090649|0.110851|0.083665|0.088939|0.106745|0.099167|0.107596|0.211934|0.500000| |3.890961|3.983171|7.024380|6.118439|0.130642|8.273508|6.198785|5.320142|4.408097|4.148022|4.518554|5.518175|4.930504|7.036698|3.518278|6.051875|5.420350|56.163358|17.582752|8.947545|9.772764|0.211463|4.777717|7.133126|4.073582|3.147163|2.752324|2.844053|3.463812|4.411568|8.236750|2.370574|3.749855|4.187671|0.121821|0.107383|0.089167|0.103421|0.093704|0.166207|0.135647|0.097047|0.108551|0.500000| |5.656726|5.297041|9.202951|6.561384|0.137042|7.405789|5.529921|4.330239|3.801979|3.951752|4.783253|5.995501|6.436531|9.338083|2.998878|4.999712|4.809236|56.462212|17.575346|8.982890|9.653009|0.204951|4.759700|7.086338|4.090093|3.159578|2.769341|2.869241|3.502491|4.455063|8.355059|2.391901|3.778381|4.230326|0.183491|0.162579|0.119950|0.127435|0.119157|0.133544|0.105693|0.093706|0.122941|0.302930|0.500000| |2.225403|2.001939|2.813757|2.119365|0.054750|2.713895|1.991683|1.909041|1.842554|1.851344|1.924679|2.000800|2.014254|3.436709|1.716675|2.994211|2.927006|18.291019|3.055382|3.994392|6.434020|0.113170|7.113459|12.912512|8.936306|17.726844|8.903402|5.609252|4.944487|5.630395|5.673529|4.053014|7.052640|5.916680|0.069372|0.062599|0.058024|0.054034|0.050635|0.055521|0.051701|0.049193|0.052540|0.080709|0.080838|0.500000| 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