Version2.1 2021-01-07T18:14:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1NC(=O)[C@H](C)Sc2nnc(s2)SCc3ccc(cc3)C(C)C)[N+](=O)[O-] C24160928 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1NC(=O)[C@H](C)Sc2nnc(s2)SCc3ccc(cc3)C(C)C)[N+](=O)[O-] C01[X(C22H24N4O3S3)] 162 C1 540 O=C([C@@H](Sc1nnc(s1)SCc1ccc(cc1)C(C)C)C)Nc1cc(ccc1C)[N+](=O)[O-] O=C([C@@H](Sc1nnc(s1)SCc1ccc(cc1)C(C)C)C)Nc1cc(ccc1C)[N+](=O)[O-] CC(C)c1ccc(CSc2sc(S[C@@H](C)C(=O)Nc3cc(ccc3C)[N+]([O-])=O)nn2)cc1 InChIKey=WEOMWKLCPJVEPN-HNNXBMFYSA-N InChI=1S/C22H24N4O3S3/c1-13(2)17-8-6-16(7-9-17)12-30-21-24-25-22(32-21)31-15(4)20(27)23-19-11-18(26(28)29)10-5-14(19)3/h5-11,13,15H,12H2,1-4H3,(H,23,27)/t15-/m0/s1 InChI=1/C22H24N4O3S3/c1-13(2)17-8-6-16(7-9-17)12-30-21-24-25-22(32-21)31-15(4)20(27)23-19-11-18(26(28)29)10-5-14(19)3/h5-11,13,15H,12H2,1-4H3,(H,23,27)/t15-/m0/s1/f/h23H Cc1ccc(cc1NC(=O)[C@H](C)Sc2nnc(s2)SCc3ccc(cc3)C(C)C)[N+](=O)[O-] C01[X(C22H24N4O3S3)] 162 C01 540 O=C([C@@H](Sc1nnc(s1)SCc1ccc(cc1)C(C)C)C)Nc1cc(ccc1C)[N+](=O)[O-] O=C([C@@H](Sc1nnc(s1)SC[C]1[CH][CH][C]([CH][CH]1)C(C)C)C)N[C]1[CH][C]([CH][CH][C]1C)[N]([O])[O] C[C]1[CH][CH][C]([CH][C]1NC(=O)[C@H](C)Sc2sc(SC[C]3[CH][CH][C]([CH][CH]3)C(C)C)nn2)N([O])[O] InChIKey=WEOMWKLCPJVEPN-HNNXBMFYSA-N InChI=1S/C22H24N4O3S3/c1-13(2)17-8-6-16(7-9-17)12-30-21-24-25-22(32-21)31-15(4)20(27)23-19-11-18(26(28)29)10-5-14(19)3/h5-11,13,15H,12H2,1-4H3,(H,23,27)/t15-/m0/s1 InChI=1/C22H24N4O3S3/c1-13(2)17-8-6-16(7-9-17)12-30-21-24-25-22(32-21)31-15(4)20(27)23-19-11-18(26(28)29)10-5-14(19)3/h5-11,13,15H,12H2,1-4H3,(H,23,27)/t15-/m0/s1/f/h23H 3328.8376258479 -2481.862651 1-A 38832.5941 128 412 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.00968 -91.98567 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3.0242 11.6914 1.7674 1.5357 11.9657 2.2206 1.7414 1.8397 1.8986 2.1265 11.3529 1.5774 2.6213 1.6619 2.6641 2.1386 1.1853 2.4902 2.3302 1.8185 1.9211 2.7525 1.3606 1.3695 1.3629 1.4450 1.3325 1.4512 1.5718 1.2619 1.2406 1.3469 1.2963 2.9418 2.0467 1.1039 1.0564 1.4416 1.0807 1.0672 1.0494 1.0805 4.1044 1.0510 1.0640 1.8126 12.1483 3.0278 5.9739 2.1356 5.7325 6.1087 5.3958 5.4944 12.1253 9.0937 1.0459 1.0358 1.0639 1.0573 1.0424 1.0948 1.1034 1.1025 1.1035 1.1030 1.0590 1.0959 1.1009 1.0910 1.1012 1.1098 1.0890 1.0897 1.0955 1.0952 1.0920 1.0947 1.0935 1.0783 0.0001 0.0002 0.0003 0.0009 0.0017 0.0033 0.0061 0.0101 0.0054 0.0121 0.0126 0.0132 0.0256 0.0431 0.0536 0.0397 0.0899 0.1008 0.0237 0.0780 0.1158 0.1202 0.1058 0.0472 0.0724 0.0717 0.0548 0.2092 0.2381 0.1737 0.3349 0.4405 0.6975 0.4044 0.2194 0.7021 0.5793 1.0079 0.5806 0.3642 0.5174 0.4634 0.4553 0.1885 0.8967 1.0211 1.0813 2.4534 1.3520 0.7069 1.4653 3.4030 1.8263 1.9601 2.9147 1.8574 1.1871 1.3855 1.5580 1.3904 4.0656 1.6380 1.8349 2.0904 2.3088 2.0576 4.1750 0.7641 0.6695 0.9330 1.4087 0.8846 1.9777 0.6947 1.0030 1.9544 1.2352 0.9679 1.3492 0.9702 0.9969 1.2226 2.2217 9.0889 1.4020 1.2384 9.6999 1.8507 1.4795 1.5669 1.6507 1.8792 10.0995 1.4100 2.3652 1.5866 2.6101 2.1378 1.2033 2.5659 2.4176 1.9037 2.0634 3.1111 1.6000 1.6394 1.6343 1.8069 1.7192 1.9497 2.1490 1.7963 1.7883 1.9476 1.8852 4.3450 3.0470 1.7270 1.6578 2.2625 1.7010 1.6813 1.6587 1.7083 6.5273 1.6816 1.7117 2.9445 20.2553 5.1185 10.1045 3.7167 10.5880 11.4223 10.4272 10.7616 24.9071 20.8988 6.2958 6.2497 6.4329 6.4080 6.3641 6.8389 6.9073 6.9380 6.9584 6.9696 6.7292 6.9962 7.0685 7.0676 7.2108 7.3032 7.2094 7.2231 7.3354 7.3548 7.3527 7.6450 7.8021 9.6361 1.1836 1.6614 0.1796 0.3908 0.1668 1.1786 1.5191 1.2170 0.6051 2.4151 3.5488 0.4539 0.4875 0.3707 0.2148 2.9160 3.8684 1.0250 0.8687 2.1360 2.1086 1.8401 1.1951 0.3552 1.2033 0.6241 0.3413 6.4971 5.6835 4.3535 6.8444 7.1903 0.5562 8.0236 0.1670 3.5135 5.6733 3.4728 1.0332 0.0020 1.3892 3.3136 1.6350 78.0024 6.4113 0.8043 6.7546 2.6281 2.5926 8.4669 16.8731 0.0289 4.9246 0.1771 8.1176 5.2463 11.6605 7.8210 28.0174 5.0433 19.6427 13.0564 32.3623 27.2420 6.8834 0.5368 54.2085 10.0240 0.4882 27.6615 0.3780 0.1932 16.6888 0.5548 0.0914 5.7473 18.7572 0.1867 4.2112 0.0091 0.5871 3.9932 5.2801 20.9076 19.1952 2.1859 183.2735 14.7843 16.0824 3.4941 5.7939 0.4656 32.3291 5.9705 6.9145 1.0085 70.9430 47.9410 0.8145 4.6377 87.6599 0.6571 1.6927 98.8079 50.7258 11.5810 48.7076 6.0171 1.7264 8.8618 95.2731 2.2879 4.5316 4.1634 0.1396 64.9044 14.0627 10.2117 3.4493 97.9028 15.5958 19.9934 1.8669 7.4238 341.1944 5.9915 3.9296 23.1317 231.3237 14.6008 39.6843 318.2902 0.1236 380.8532 11.4139 2.9689 315.6264 258.0361 27.8088 32.4289 29.7208 25.6590 27.2382 20.8256 0.3934 121.1697 30.7535 48.7438 7.9387 19.2194 20.3951 13.6362 5.4450 0.9985 22.3461 9.0969 32.7255 11.8027 14.5067 1.4188 11.2624 34.3845 2.7580 2.7530 0.6286 0.7673 1.0377 2.1329 0.3407 3.8081 4.7319 0.7271 1.6590 1.1770 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0.6054 0.8558 0.5721 0.4123 0.8571 0.7630 0.5437 0.8356 0.4553 0.8048 0.7766 0.8496 0.6253 0.8346 0.7982 0.8559 0.6519 0.3998 0.8521 0.4645 0.4583 0.5694 0.4553 0.4561 0.8438 0.8466 0.4846 0.8171 0.6024 0.5314 0.3810 0.0900 0.7751 0.4611 0.0800 0.1752 0.7386 0.8566 0.7441 0.8544 0.8277 0.0631 0.7925 0.8003 0.5356 0.8061 0.8558 0.8563 0.8326 0.3050 0.2693 0.5042 0.3999 0.3728 0.2604 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 6 6 6 6 6 6 6 7 6 8 6 1 6 16 6 7 7 6 16 16 6 6 6 6 6 6 6 6 6 6 7 8 8 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 31.97207 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5945.6202 67319.2025 69387.9925 0.99999 -0.00247 0.00470 0.00254 0.99986 -0.01675 -0.00466 0.01676 0.99985 1 0.01457 0.00129 0.00125 0.30354 0.02681 0.02601 7.17 9.43 16.64 22.65 33.29 41.76 53.30 58.83 67.14 87.33 89.33 92.45 127.82 161.72 172.06 173.04 186.07 231.73 280.27 294.96 310.74 316.13 355.74 360.24 382.12 388.36 402.82 403.76 454.14 460.48 466.53 499.12 519.16 524.46 547.67 565.97 603.74 614.41 642.12 659.46 687.96 715.05 716.51 739.46 830.63 847.17 858.92 886.03 889.08 899.49 910.90 953.74 1004.15 1011.21 1026.51 1050.41 1095.07 1110.30 1121.74 1135.83 1178.14 1218.11 1226.13 1235.35 1254.76 1286.81 1329.54 1359.20 1369.88 1376.52 1387.89 1424.39 1456.90 1458.52 1500.38 1509.10 1526.88 1567.30 1581.54 1583.20 1586.62 1591.62 1606.60 1652.68 1669.47 1683.21 1687.66 1711.17 1727.73 1729.90 1747.78 1762.06 1767.93 1772.22 1780.52 1831.49 1855.32 1874.06 1888.65 1902.70 1909.28 1917.87 1942.63 1992.81 2032.70 2050.80 2052.55 2096.01 2129.10 2172.62 2191.73 2236.38 2250.44 2254.02 2260.47 2278.03 2287.07 2344.48 2348.18 2348.26 2351.64 2352.70 2356.64 2356.90 2363.79 2370.98 2377.46 2389.04 2420.36 2437.09 2437.80 2472.81 2547.44 2563.13 2605.71 2623.31 2686.48 2841.58 4598.77 4604.35 4609.17 4614.61 4631.55 4684.90 4689.92 4702.25 4706.98 4711.75 4725.00 4736.13 4749.67 4770.91 4796.62 4808.48 4822.80 4825.94 4850.32 4857.35 4863.76 4953.37 5006.89 5603.36 0.467753 0.498432 0.499376 0.395823 -2481.394898 -2481.364219 -2481.363275 -2481.466828 3.473185D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1ccc(cc1NC(=O)[C@H](C)Sc2nnc(s2)SCc3ccc(cc3)C(C)C)[N+](=O)[O-] C24160928 RHF 6-31G(d) (6D,10F) C1 488.101056 |X|Y|Z| 187.701773 48.521807 35.301702 68.506797 23 6 7 16 17 3 3 |36.858105| |12.612807|36.858105| |7.580331|13.715250|36.858105| |5.018780|7.874807|13.795861|36.858105| |4.463784|6.908569|8.053518|13.807119|36.858105| |5.002685|7.879339|6.878742|7.870629|13.797335|36.858105| |7.515498|13.620185|7.943392|6.835360|8.006764|13.744613|36.858105| |6.674743|7.885638|5.173937|4.535648|5.169476|7.815807|13.476682|53.358707| |4.651430|5.215910|3.940708|3.700901|4.359351|6.320025|7.685806|19.054070|36.858105| |3.906057|4.577687|3.713333|3.689295|4.551216|6.552431|6.613669|11.467082|15.935569|73.516695| |3.937290|3.977971|3.128072|2.904626|3.257936|4.248697|5.018839|10.676285|12.483431|14.243779|36.858105| |4.342456|4.102112|3.168089|2.851647|3.093491|3.930416|4.880692|10.382832|8.807043|10.448299|17.660663|0.500000| |3.303774|3.286749|2.695366|2.531214|2.798162|3.472314|3.918063|7.194259|7.558598|11.715247|12.485652|0.246068|36.858105| |3.110181|3.233637|2.684753|2.585952|2.944807|3.727480|4.014943|7.360390|7.088027|10.560868|10.361392|0.222673|6.807357|388.023441| |2.853065|2.805049|2.357845|2.225848|2.433321|2.934440|3.242501|5.689870|4.749760|7.085589|6.898154|0.200001|5.410082|76.984400|36.858105| |3.003058|2.827568|2.356148|2.176519|2.325415|2.770539|3.159585|5.557922|4.427176|6.461194|6.485065|0.220715|5.356887|50.065078|15.008035|53.358707| |2.590198|2.418637|2.067993|1.917258|2.019890|2.339230|2.621732|4.366970|3.364125|5.125213|4.424797|0.142753|3.965057|34.647518|8.634023|18.924747|53.358707| |2.300102|2.200120|1.914135|1.803495|1.913429|2.197786|2.399853|3.902698|3.028680|4.747337|3.826086|0.115881|3.450272|32.965599|8.025147|11.758108|20.402078|36.858105| |2.316699|2.297797|2.001511|1.921290|2.087435|2.432307|2.591272|4.236289|3.406378|5.425822|4.285598|0.120799|3.734561|44.587760|10.928706|10.216726|10.205098|10.911906|388.023441| |1.942393|1.856929|1.652212|1.565723|1.643093|1.843118|1.983935|3.108979|2.369897|3.813631|2.830015|0.084232|2.642256|23.325294|4.639174|6.645662|9.613926|10.855204|44.493918|388.023441| |1.953122|1.821520|1.620373|1.515564|1.566119|1.743212|1.904424|2.969243|2.223839|3.554942|2.639703|0.080689|2.509630|20.141694|3.834681|6.046946|8.882255|6.915524|30.466305|73.890848|36.858105| |1.710912|1.603804|1.448093|1.362282|1.400552|1.538191|1.662194|2.539082|1.892063|3.071751|2.184039|0.065623|2.100078|16.575732|2.970364|4.477509|5.865032|4.635046|23.789428|49.692265|12.630272|36.858105| |1.561895|1.471894|1.336544|1.263789|1.300730|1.423002|1.526938|2.320264|1.745839|2.867748|2.006934|0.059447|1.973848|15.138964|2.642906|3.921498|4.920150|3.862298|21.037668|38.469478|7.562922|13.741453|36.858105| |1.415215|1.338422|1.226870|1.164410|1.194170|1.295075|1.380767|2.072056|1.551522|2.569333|1.752737|0.051534|1.726132|13.166297|2.228819|3.250941|3.914429|3.056041|17.624421|28.801552|5.018523|7.906269|13.745252|36.858105| |1.382209|1.307055|1.204258|1.142973|1.167332|1.259068|1.340660|1.995947|1.479481|2.449073|1.651504|0.048654|1.607079|12.407072|2.078242|3.014429|3.585496|2.795435|16.399213|25.968872|4.405859|6.766097|7.877304|13.719967|36.858105| |1.484043|1.398364|1.285210|1.215417|1.239070|1.338198|1.431102|2.132968|1.567402|2.575509|1.748681|0.051956|1.675317|13.183642|2.231433|3.253808|3.918178|3.060933|17.651250|28.879374|5.019073|7.900323|6.910875|8.002328|13.673438|36.858105| |1.655550|1.552413|1.412727|1.329532|1.359092|1.480453|1.595447|2.406031|1.767953|2.875410|2.000039|0.060071|1.898074|15.159032|2.645915|3.924322|4.924205|3.869477|21.072328|38.623962|7.555923|13.700298|7.991509|6.918585|7.881780|13.785208|36.858105| |1.249895|1.186745|1.102293|1.050299|1.069982|1.145748|1.212796|1.788135|1.323299|2.206894|1.459128|0.042685|1.425682|10.910329|1.785606|2.561602|2.962518|2.292969|13.956423|20.303441|3.258817|4.392029|4.996205|7.530558|12.516921|7.482182|4.987446|36.858105| |1.227246|1.158852|1.079998|1.025696|1.038325|1.106671|1.174591|1.722356|1.265167|2.107875|1.385315|0.040685|1.352601|10.216230|1.655967|2.392373|2.735654|2.072706|12.668476|17.689627|2.896860|3.724954|4.007296|5.312707|7.521317|6.061697|4.305511|12.411326|36.858105| |1.197025|1.145322|1.068682|1.023672|1.044862|1.115501|1.173061|1.720719|1.272695|2.131276|1.393149|0.040510|1.353165|10.533972|1.708613|2.412919|2.760225|2.169272|13.533899|19.172297|2.895116|3.722848|4.004939|5.309116|7.521643|6.065022|4.305615|12.411468|7.523420|36.858105| |3.326616|4.518182|5.147520|7.792641|13.058117|7.801384|5.135322|5.314231|3.583047|6.948213|2.800882|0.072902|2.475522|18.837164|2.193978|2.817653|2.480671|1.754062|13.751990|10.849857|1.442466|1.301406|1.216136|1.122639|1.098336|1.160972|1.265057|1.012008|0.980203|0.993226|53.358707| 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|17.558530|8.838417|5.825775|4.271703|3.993550|4.610590|6.778982|9.386366|5.056731|7.427655|4.367968|0.135527|3.762882|23.061999|2.976714|4.339394|3.693075|2.371609|16.847972|14.119407|2.011758|1.751505|1.606932|1.449254|1.404859|1.500180|1.676769|1.267255|1.242701|1.207068|4.179403|4.896218|5.016809|0.301524|0.500000| |17.606874|8.876471|7.327954|4.789051|4.010816|4.176267|5.567595|6.620148|3.702161|5.773168|3.232548|0.097849|2.822026|18.806717|2.473703|3.552036|3.146278|2.070227|14.678385|12.695346|1.813393|1.608825|1.474481|1.346124|1.320703|1.416178|1.567709|1.201410|1.186990|1.150671|4.194199|5.094175|4.858337|0.302965|0.301779|0.500000| |7.068095|8.943422|17.729333|8.973577|5.702591|4.955915|5.650809|5.707932|3.314454|5.539610|2.755430|0.078717|2.423792|16.950650|2.151895|2.964424|2.644136|1.796525|13.154381|11.166137|1.557421|1.401337|1.294564|1.193445|1.175553|1.254957|1.373934|1.079542|1.063305|1.045525|5.680915|7.181194|6.061832|0.156605|0.150639|0.227049|0.500000| |4.090435|5.612872|8.881969|17.795143|8.931498|5.627770|4.938576|4.919635|3.073933|5.510501|2.499082|0.068281|2.223480|16.128932|1.983486|2.643296|2.361621|1.643308|12.396408|10.279763|1.402543|1.271498|1.183803|1.096882|1.079801|1.146100|1.246163|0.997259|0.976223|0.974233|9.778465|14.196937|8.833789|0.100147|0.098771|0.113735|0.214700|0.500000| |4.075050|5.617455|4.964887|5.635065|8.947844|17.842210|8.892234|9.662650|6.829392|14.150170|4.512958|0.110579|3.685394|29.525959|3.107965|3.879193|3.251268|2.271279|18.359496|13.462038|1.763257|1.553371|1.441557|1.309791|1.268814|1.344525|1.487877|1.153697|1.108373|1.125767|9.815151|8.852092|14.221237|0.106207|0.108591|0.095956|0.107742|0.124343|0.500000| |7.432848|7.287910|4.802475|4.044200|4.336501|5.866024|9.255805|26.100553|9.449787|10.884792|7.639474|0.248243|5.060072|37.952950|4.510817|6.280317|4.885579|3.127205|23.406396|17.510921|2.381064|2.013591|1.819758|1.615990|1.559319|1.678582|1.909971|1.388606|1.340007|1.331201|4.582431|5.093007|5.810490|0.227621|0.212313|0.145465|0.113152|0.091777|0.148038|0.500000| |2.938873|2.858886|2.387188|2.240337|2.440050|2.946090|3.293668|5.825212|5.509962|8.658747|8.854843|0.214229|17.602857|45.332262|5.958976|8.402173|6.224539|3.905810|29.168566|20.898520|2.798431|2.307734|2.179171|1.882115|1.731604|1.796686|2.048572|1.524444|1.438267|1.438006|2.977796|3.440540|4.030641|0.082705|0.091882|0.071014|0.060587|0.055374|0.086186|0.119352|0.500000| |2.971335|3.063471|2.576883|2.484030|2.797878|3.455526|3.702168|6.431126|6.928185|12.738336|8.823119|0.173620|17.627109|45.103349|4.698845|5.957807|4.638280|3.099959|24.754225|17.328930|2.277208|1.938382|1.839959|1.623782|1.513434|1.568745|1.760308|1.352388|1.280206|1.291290|3.448084|3.913669|4.765201|0.080889|0.092021|0.071494|0.064085|0.060988|0.105235|0.120015|0.299625|0.500000| |3.545723|3.442838|2.807817|2.594104|2.813298|3.441607|3.979087|7.116361|6.858150|10.737575|8.855157|0.212451|17.542586|36.050084|4.333138|6.172855|4.798441|3.036521|22.426324|17.067536|2.348449|1.987413|1.874567|1.650475|1.541410|1.604360|1.807084|1.374147|1.314168|1.299425|3.346152|3.843906|4.454787|0.095338|0.116811|0.084388|0.070637|0.063273|0.098310|0.139434|0.301084|0.300877|0.500000| |1.975469|1.834788|1.625210|1.517136|1.569196|1.752710|1.921806|3.018959|2.287554|3.657818|2.758831|0.084419|2.691292|20.572725|3.916069|6.372281|9.342724|6.601559|29.615629|56.511852|17.650702|8.835784|7.102482|4.707684|3.944088|4.200976|5.640633|3.012084|2.708861|2.643210|1.963600|2.368803|2.602147|0.059465|0.057246|0.050864|0.043355|0.038935|0.049291|0.067060|0.085142|0.067327|0.070167|0.500000| |2.118406|1.951314|1.726981|1.601112|1.644571|1.831768|2.023360|3.159862|2.324021|3.668649|2.745497|0.085770|2.553473|20.589343|3.917948|6.379607|9.359968|6.604406|29.600397|56.511889|17.649656|8.834802|5.653090|4.205235|3.944975|4.706399|7.084578|3.010854|2.773582|2.700550|2.044820|2.469212|2.692513|0.065179|0.060346|0.054598|0.046227|0.041053|0.051045|0.071473|0.078028|0.063670|0.066891|0.302563|0.500000| |1.571296|1.483244|1.342897|1.271171|1.312994|1.441770|1.546549|2.363144|1.797592|2.960606|2.086909|0.061494|2.086006|15.697328|2.746599|4.084182|5.105486|3.975342|21.707171|37.765948|7.004186|8.917910|17.700235|8.933345|5.626800|4.970376|5.663110|4.086428|3.388327|3.386133|1.671522|2.036728|2.222364|0.046489|0.045224|0.041079|0.036032|0.033021|0.040712|0.051272|0.064793|0.054050|0.054893|0.213007|0.143406|0.500000| |1.333520|1.265240|1.163592|1.107673|1.136626|1.229708|1.305881|1.953340|1.469383|2.449370|1.654018|0.048275|1.646839|12.373191|2.063368|2.987724|3.524176|2.734405|16.196822|24.741099|4.100117|5.643140|8.951403|17.705063|8.919793|5.667834|4.974782|6.999286|5.008821|5.003073|1.459598|1.795340|1.935264|0.039250|0.038025|0.035306|0.031455|0.029045|0.034600|0.042068|0.049893|0.043292|0.043852|0.112010|0.097021|0.216966|0.500000| 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