Version2.0 2020-02-02T20:38:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)c2nnn(n2)Cc3ccc(cc3)C(=O)NNC(=O)C[C@@H]4C(=O)Nc5ccccc5S4 C17633849 RHF 6-31G(d) (6D,7F) c1ccc(cc1)c2nnn(n2)Cc3ccc(cc3)C(=O)NNC(=O)C[C@@H]4C(=O)Nc5ccccc5S4 C01[X(C25H21N7O3S1)] 165 C1 586 O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccc(cc1)Cn1nnc(n1)c1ccccc1 O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccc(cc1)Cn1nnc(n1)c1ccccc1 O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c3ccc(Cn4nnc(n4)c5ccccc5)cc3 InChIKey=MELNIMKLIIFANM-OAQYLSRUSA-N InChI=1S/C25H21N7O3S/c33-22(14-21-25(35)26-19-8-4-5-9-20(19)36-21)27-29-24(34)18-12-10-16(11-13-18)15-32-30-23(28-31-32)17-6-2-1-3-7-17/h1-13,21H,14-15H2,(H,26,35)(H,27,33)(H,29,34)/t21-/m1/s1 InChI=1/C25H21N7O3S/c33-22(14-21-25(35)26-19-8-4-5-9-20(19)36-21)27-29-24(34)18-12-10-16(11-13-18)15-32-30-23(28-31-32)17-6-2-1-3-7-17/h1-13,21H,14-15H2,(H,26,35)(H,27,33)(H,29,34)/t21-/m1/s1/f/h26-27,29H c1ccc(cc1)c2nnn(n2)Cc3ccc(cc3)C(=O)NNC(=O)C[C@@H]4C(=O)Nc5ccccc5S4 C01[X(C25H21N7O3S1)] 165 C01 586 O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccc(cc1)Cn1nnc(n1)c1ccccc1 O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccc(cc1)Cn1nnc(n1)c1ccccc1 O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c3ccc(Cn4nnc(n4)c5ccccc5)cc3 InChIKey=MELNIMKLIIFANM-OAQYLSRUSA-N InChI=1S/C25H21N7O3S/c33-22(14-21-25(35)26-19-8-4-5-9-20(19)36-21)27-29-24(34)18-12-10-16(11-13-18)15-32-30-23(28-31-32)17-6-2-1-3-7-17/h1-13,21H,14-15H2,(H,26,35)(H,27,33)(H,29,34)/t21-/m1/s1 InChI=1/C25H21N7O3S/c33-22(14-21-25(35)26-19-8-4-5-9-20(19)36-21)27-29-24(34)18-12-10-16(11-13-18)15-32-30-23(28-31-32)17-6-2-1-3-7-17/h1-13,21H,14-15H2,(H,26,35)(H,27,33)(H,29,34)/t21-/m1/s1/f/h26-27,29H 3542.3955349843 -1962.1708791 1-A 33001.3089 130 456 586 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1527.6957 1542.2443 1566.4536 1576.1676 1581.8879 1596.0048 1609.2813 1620.8001 1630.3821 1630.6475 1655.1780 1663.3367 1669.6628 1694.8057 1727.5060 1770.7315 1783.7791 1784.8021 1788.6519 1800.2786 1819.9682 1825.1404 1916.5540 1954.5258 1983.3688 3229.2174 3279.0529 3281.8569 3332.7261 3337.6919 3359.4546 3359.6734 3370.5274 3372.0394 3372.8119 3373.1661 3383.3914 3384.7047 3392.1325 3397.1282 3397.7041 3404.0386 3413.6785 3851.3427 3858.5785 3880.7141 6.5330 7.4490 6.5434 5.5350 4.4517 7.1211 6.1778 7.3577 8.5900 5.7164 6.6229 6.6938 7.9868 6.2023 7.2403 5.5731 6.3017 5.1180 5.8129 7.0924 5.8192 6.4843 5.0888 5.7831 5.9070 4.8924 4.6145 6.1843 6.5139 2.5584 3.7101 3.7035 3.3785 2.5088 2.9277 2.9445 5.8960 4.6983 2.8154 4.7500 2.1902 3.2439 3.8374 4.5802 3.8975 4.0251 1.2666 6.4234 3.5359 6.5183 3.9166 5.2019 5.9253 5.4090 4.2262 2.2191 5.5294 6.2823 3.9329 5.7503 2.1855 3.4077 1.4810 3.2640 4.7542 4.5242 3.4686 5.1007 1.2580 1.2485 2.2120 1.9014 2.2900 2.9803 1.9527 1.4202 2.3440 1.3705 6.2223 4.8739 1.4598 1.3620 1.3204 6.1241 1.3903 2.8217 1.3276 3.0076 2.8784 3.4467 4.5841 3.2682 1.8321 2.0029 3.7819 2.9854 2.3245 1.6692 2.0764 3.8363 2.2228 1.1532 1.2195 1.5200 2.4161 1.7452 1.6960 1.8997 1.5573 1.9617 1.6915 6.0822 1.6836 1.3563 1.9567 1.3938 1.5121 3.2016 1.6331 2.4352 1.4831 5.2804 2.4389 1.7198 3.7450 1.5437 2.4429 1.1737 1.3773 2.8193 2.0851 2.8974 2.4372 6.3945 5.5085 2.3431 5.4421 5.6703 5.2652 5.4263 5.4151 11.8593 9.5184 8.7631 1.0624 1.1034 1.0603 1.0868 1.1093 1.0871 1.0892 1.0904 1.0913 1.0900 1.0917 1.0945 1.0953 1.0953 1.0986 1.0956 1.0955 1.0943 1.0777 1.0799 1.0794 0.0000 0.0003 0.0005 0.0009 0.0013 0.0027 0.0041 0.0076 0.0191 0.0151 0.0241 0.0324 0.0441 0.0483 0.0614 0.0621 0.1140 0.1110 0.1332 0.2273 0.2218 0.2817 0.2673 0.3349 0.3623 0.3017 0.3215 0.4612 0.5158 0.2177 0.3691 0.3922 0.3827 0.2948 0.3534 0.3625 0.8019 0.6687 0.4392 0.7770 0.3635 0.5534 0.7227 0.8916 0.7970 0.8539 0.2844 1.7381 0.9655 1.8630 1.1526 1.6037 1.9244 1.8245 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19.2746 37.8633 35.3896 61.9783 0.0049 0.2085 7.8003 7.6895 19.3775 30.5738 41.7462 30.0523 1.2613 11.3643 17.8175 2.1840 90.9378 0.0869 7.0011 0.6735 1.6104 13.6939 2.1618 7.1994 12.4144 23.6217 23.3206 5.0503 2.1523 15.0922 59.3652 142.4422 68.1305 7.1130 33.4204 18.5978 4.4732 6.3480 0.2276 0.0137 9.4409 5.3634 5.9091 6.1311 2.2904 3.3564 19.5699 1.2260 0.1710 9.6965 0.4593 0.0224 0.0880 11.9139 1.2065 3.4996 0.1745 14.4435 0.4582 8.3034 63.4849 3.9628 12.3423 1.8459 10.9776 15.5198 4.3401 4.8970 28.5874 6.7691 14.1655 4.2926 16.3700 3.1118 3.0236 0.0648 5.1256 12.9583 17.9929 53.4672 123.0310 59.8301 24.4012 2.0726 18.1141 8.0880 24.9401 261.3573 43.2729 20.2534 66.9814 20.4281 31.3043 18.4196 66.3791 480.8737 56.8391 49.7933 260.0355 158.8527 2.8033 31.6962 23.9523 51.6482 10.6807 13.8003 9.2570 1.0271 24.9069 3.8413 26.0607 571.8209 23.4672 665.3279 5.7136 11.1046 15.1380 1.8221 2.1805 0.0182 6.6212 7.3072 17.1478 2.5270 12.1712 19.3914 36.8154 5.5513 19.7958 10.3090 4.3555 1.6034 63.2861 47.7820 124.2289 3.1269 1.3849 2.8545 2.2475 12.3931 1.8423 3.4958 4.2664 1.4730 1.1890 2.2459 2.8179 0.5180 2.3821 1.2281 1.2739 1.0761 1.7369 1.5244 1.8702 1.1000 0.9748 2.4988 1.3312 1.1953 1.1072 0.9303 2.1064 1.7951 2.2265 1.8082 2.1428 2.8140 3.0436 0.0808 0.1510 4.0531 2.6672 4.1045 1.3846 1.3167 4.7843 1.9771 3.8936 0.2483 1.4721 2.1116 5.7156 1.2022 6.5724 4.2838 5.7144 4.2939 2.6055 1.4838 1.4844 1.0935 3.5783 1.2512 4.1239 0.7362 2.1001 1.9790 2.3286 5.8507 18.4578 0.9287 14.4992 1.8907 2.7552 3.3547 1.4258 2.0311 3.4932 0.9688 2.4664 3.6544 0.3778 44.2886 13.5784 2.7462 0.0135 0.1137 33.0204 0.4741 4.6423 1.2108 14.6104 18.7621 13.6580 15.3793 1.6867 1.1979 1.2714 4.5071 15.0475 13.7331 4.6601 7.7675 11.2427 2.3483 6.4635 18.6795 2.7566 9.4576 6.1122 1.8237 6.5240 14.2960 16.8070 11.9845 28.2613 6.0583 2.5260 40.6517 0.4346 0.9391 2.9668 3.0023 2.0826 14.0861 13.5577 0.8790 4.2045 49.5469 9.6471 39.3849 15.3028 10.8582 13.7468 2.3898 0.5010 7.2075 112.4694 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12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 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 11093.7244 54484.8988 58066.9733 0.99999 -0.00486 0.00179 0.00485 0.99997 0.00582 -0.00182 -0.00581 0.99998 1 0.00781 0.00159 0.00149 0.16268 0.03312 0.03108 4.03 10.95 16.50 23.34 32.31 36.68 48.45 60.11 88.48 96.39 113.12 130.44 139.35 165.44 172.67 197.81 252.10 275.99 283.69 335.56 365.96 390.70 429.58 451.05 464.18 465.48 494.77 511.86 527.47 546.83 591.19 609.99 630.88 642.50 651.24 657.65 691.27 707.17 740.32 758.12 763.66 774.21 813.42 827.04 847.65 863.32 888.25 975.04 979.47 1002.10 1016.83 1040.75 1068.21 1088.65 1107.63 1108.24 1115.23 1127.49 1161.60 1189.05 1193.82 1195.72 1225.95 1229.96 1267.48 1280.60 1291.46 1356.96 1381.45 1386.09 1395.85 1402.01 1412.72 1472.28 1513.17 1528.68 1540.72 1543.48 1569.56 1586.71 1593.62 1599.41 1602.96 1604.37 1605.24 1614.13 1627.40 1637.04 1638.30 1644.73 1667.86 1707.87 1709.28 1725.46 1738.10 1741.90 1753.64 1800.59 1827.96 1834.49 1845.96 1873.92 1885.88 1896.13 1900.60 1909.34 1926.68 1936.62 1974.65 1985.20 2009.25 2014.95 2016.81 2066.82 2090.34 2108.20 2120.66 2121.50 2192.12 2198.01 2218.95 2253.78 2267.75 2275.98 2296.29 2315.40 2331.97 2345.76 2346.14 2381.43 2393.17 2402.27 2438.45 2485.50 2547.69 2566.46 2567.93 2573.47 2590.20 2618.53 2625.97 2757.49 2812.13 2853.63 4646.12 4717.83 4721.86 4795.05 4802.19 4833.51 4833.82 4849.44 4851.61 4852.72 4853.23 4867.95 4869.84 4880.52 4887.71 4888.54 4897.65 4911.52 5541.22 5551.63 5583.48 0.471848 0.500519 0.501463 0.402012 -1961.699031 -1961.670360 -1961.669416 -1961.768867 3.335603D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE c1ccc(cc1)c2nnn(n2)Cc3ccc(cc3)C(=O)NNC(=O)C[C@@H]4C(=O)Nc5ccccc5S4 C17633849 RHF 6-31G(d) (6D,10F) C1 499.142660 |X|Y|Z| 63.741229 46.962697 163.501861 78.807107 33 6 7 16 25 7 1 |36.858105| |13.750910|36.858105| |7.934603|13.762351|36.858105| |6.859296|7.926645|13.704791|36.858105| |7.936880|6.875366|7.925521|13.696965|36.858105| |13.740380|7.941639|6.872692|7.925331|13.774084|36.858105| |4.482647|5.079700|7.685378|12.937391|7.664803|5.074432|36.858105| |3.718454|4.425369|6.521917|7.653192|5.102359|3.894905|14.159517|53.358707| |3.043014|3.437828|4.575194|5.415454|4.167191|3.255039|9.075949|20.297459|53.358707| |3.056857|3.293678|4.247490|5.483442|4.555900|3.431557|9.360609|12.560349|20.125743|53.358707| |3.724630|3.915152|5.151467|7.724739|6.503540|4.418895|14.581701|11.866486|11.943705|19.813176|53.358707| |2.526011|2.648742|3.218305|3.940249|3.564533|2.831882|5.525488|7.491506|10.757835|17.848846|10.653716|36.858105| |2.365119|2.443156|2.893164|3.486408|3.268432|2.656584|4.545070|6.019036|7.719397|10.502620|8.218302|12.585047|36.858105| |2.252646|2.263540|2.601957|3.135450|3.105562|2.571611|3.820534|4.812969|5.674338|7.432942|6.822485|7.563019|13.744432|36.858105| |2.065436|2.062215|2.320990|2.722204|2.728903|2.332099|3.169141|4.045177|4.591722|5.551482|5.273282|5.020657|7.921789|13.761130|36.858105| |1.987557|2.011267|2.263651|2.594093|2.543041|2.199363|3.008205|3.968121|4.490511|5.141739|4.779363|4.432893|6.843284|7.932055|13.738825|36.858105| |2.063085|2.133936|2.447735|2.782550|2.629593|2.251158|3.326851|4.570137|5.327344|5.899414|5.193482|5.025549|7.921463|6.882794|7.936672|13.685531|36.858105| |2.246531|2.355882|2.779510|3.222372|2.956610|2.460858|4.096747|5.764929|7.260327|8.313397|6.635768|7.567571|13.703590|7.951156|6.880962|7.926345|13.792995|36.858105| |1.794094|1.801717|1.984399|2.225006|2.210224|1.965400|2.486722|3.285010|3.602467|3.988280|3.812482|3.289633|4.453684|5.081560|7.729213|12.745239|7.510386|5.020780|36.858105| |1.676152|1.667258|1.815964|2.031088|2.046904|1.840288|2.238355|2.932946|3.191639|3.545214|3.432628|2.934737|3.805199|4.533100|6.738071|8.030101|5.284032|4.004813|15.831449|73.516695| |1.751254|1.771737|1.941813|2.137346|2.101221|1.890151|2.360963|3.166433|3.421373|3.667106|3.510260|2.914380|3.770638|3.969320|5.229280|7.873729|6.615212|4.483461|14.040094|15.173689|53.358707| |1.602843|1.610754|1.737552|1.888561|1.875560|1.718678|2.041316|2.729791|2.901199|3.079469|2.992010|2.413403|2.977588|3.162499|3.997255|5.166669|4.466305|3.380451|8.154469|12.937818|18.695867|53.358707| |1.594920|1.603813|1.714855|1.840322|1.826703|1.694039|1.958551|2.623656|2.741097|2.866586|2.815662|2.189202|2.627633|2.727479|3.285888|4.064354|3.757778|2.979188|5.456671|8.746272|11.075969|19.268137|36.858105| |1.694392|1.715947|1.839065|1.960931|1.928692|1.787961|2.082674|2.806001|2.907880|3.004820|2.955207|2.252486|2.688217|2.716312|3.186973|3.967912|3.885899|3.109604|4.883434|7.425322|9.813383|11.630431|15.838864|73.516695| |1.446575|1.446029|1.527189|1.625482|1.626130|1.529024|1.707225|2.282013|2.366019|2.466503|2.439639|1.878176|2.196909|2.296322|2.707158|3.162431|2.918212|2.420786|4.059731|7.104160|7.002396|10.720035|12.575366|14.177550|36.858105| |1.468907|1.458841|1.523420|1.611456|1.625023|1.547141|1.664656|2.208364|2.255792|2.345273|2.354770|1.755887|2.021516|2.108301|2.433406|2.757386|2.571802|2.195843|3.352499|5.854882|5.474377|7.170443|7.593416|11.711109|12.422295|36.858105| |1.519460|1.516670|1.582994|1.663272|1.666912|1.589850|1.713037|2.282747|2.318149|2.389502|2.400040|1.769845|2.028223|2.082671|2.372380|2.708315|2.592401|2.225892|3.201580|5.414935|5.318945|6.569902|7.170075|13.201266|8.917048|17.662012|0.500000| |1.326007|1.315546|1.363780|1.431455|1.444949|1.387805|1.470304|1.956754|1.993760|2.062492|2.069791|1.543640|1.747560|1.817970|2.062954|2.287409|2.151989|1.877720|2.709595|4.833632|4.248135|5.323829|4.964769|7.922127|7.605202|12.535544|0.252321|36.858105| |1.271100|1.267493|1.311639|1.365707|1.370192|1.319996|1.400869|1.877601|1.908802|1.957553|1.957560|1.458719|1.636847|1.682570|1.884690|2.091405|2.005871|1.766786|2.427722|4.275722|3.813944|4.630641|4.267115|7.174888|5.946627|8.025118|0.211975|15.938946|73.516695| |1.269379|1.251477|1.293006|1.361526|1.384690|1.333870|1.395097|1.846699|1.883184|1.959904|1.973605|1.473970|1.661912|1.749264|1.985235|2.157841|1.999998|1.759216|2.552300|4.687794|3.854010|4.768407|4.102564|6.406295|5.872447|7.740932|0.161003|13.971321|15.169489|53.358707| |1.301104|1.274505|1.317661|1.399043|1.434506|1.379094|1.434429|1.883635|1.925488|2.023918|2.046975|1.531236|1.734868|1.855976|2.127877|2.280472|2.066130|1.814553|2.727061|5.154004|3.998380|4.944884|4.030612|6.133445|5.441253|6.499319|0.134970|7.664308|9.531556|18.515613|36.858105| |1.213280|1.186188|1.224168|1.299739|1.335679|1.286562|1.332638|1.749968|1.792606|1.887196|1.906385|1.435202|1.613553|1.734266|1.974685|2.080796|1.881074|1.669964|2.456597|4.732252|3.500629|4.211701|3.261337|5.018896|4.134651|4.462359|0.100196|5.168789|7.339049|10.758363|13.709383|36.858105| |1.224228|1.190345|1.227975|1.311393|1.357198|1.306647|1.344119|1.753998|1.799293|1.908673|1.935523|1.458385|1.638492|1.784293|2.035095|2.102529|1.874220|1.673116|2.468352|4.861406|3.406972|4.000756|2.975896|4.602060|3.540840|3.690515|0.085462|3.914402|5.752083|7.051179|7.926561|13.787290|36.858105| |1.328519|1.284860|1.327395|1.429073|1.490009|1.430255|1.464331|1.894711|1.943591|2.079981|2.123009|1.591298|1.801380|1.989553|2.294002|2.343596|2.051064|1.824992|2.766307|5.527118|3.742569|4.347953|3.174859|4.902466|3.621349|3.772272|0.087739|3.701158|5.387096|6.200928|6.849378|7.936213|13.742994|36.858105| |1.446076|1.399164|1.449141|1.564622|1.631207|1.560521|1.603385|2.068811|2.117825|2.269271|2.323995|1.727191|1.977785|2.183299|2.550040|2.646658|2.302033|2.021516|3.180933|6.259830|4.383168|5.188179|3.880962|5.933508|4.418265|4.787607|0.108377|4.362665|6.098024|7.026480|7.930356|6.892675|7.964560|13.778394|36.858105| |1.429328|1.393427|1.443661|1.545603|1.595132|1.527837|1.584228|2.062259|2.106457|2.232738|2.273916|1.687955|1.932706|2.091301|2.430560|2.599457|2.311898|2.014107|3.148169|5.971584|4.577538|5.655561|4.577935|6.914449|5.756956|7.004200|0.144875|6.369427|8.109862|10.678854|13.691928|7.924674|6.866679|7.910788|13.721521|36.858105| |1.584239|1.550223|1.609208|1.719573|1.766458|1.688990|1.757876|2.288098|2.321360|2.448045|2.503129|1.825158|2.103941|2.241905|2.600588|2.854385|2.584562|2.230873|3.430125|6.123743|5.248372|6.414186|5.805182|9.305250|6.773097|10.483060|0.224702|6.897075|8.887722|8.616192|6.942596|4.719131|4.190469|4.712165|6.920453|10.744504|388.023441| |17.715680|8.912190|5.644375|4.944749|5.645842|8.909399|3.577438|4.197864|3.537813|3.550175|4.202096|2.214695|2.096363|2.018677|1.875380|1.810652|1.865620|2.004088|1.657117|2.772042|2.211055|2.045476|1.503461|2.832657|1.376516|1.406925|0.040420|1.278934|2.184380|1.671087|1.256890|1.174812|1.185264|1.282725|1.391312|1.375793|10.804761|0.500000| |8.911551|17.719372|8.934680|5.643478|4.953387|5.645723|4.132930|5.246299|4.172265|3.919573|4.469681|2.366055|2.195078|2.032752|1.871168|1.842873|1.961135|2.146651|1.667886|2.749577|2.251061|2.061373|1.516802|2.890012|1.375703|1.391315|0.040300|1.262383|2.174127|1.632437|1.215098|1.132030|1.132049|1.215019|1.319261|1.320216|10.432937|0.214777|0.500000| |5.643442|8.909235|17.744982|8.924338|5.645087|4.954009|7.117343|10.040786|6.724404|5.791416|6.511278|3.213644|2.862733|2.519850|2.250532|2.226092|2.452424|2.808520|1.949428|3.155549|2.616395|2.336021|1.695343|3.244720|1.507095|1.495523|0.043299|1.341172|2.304255|1.724142|1.284071|1.192832|1.191651|1.281320|1.396613|1.399126|11.090425|0.124088|0.215126|0.500000| |5.645066|4.954830|5.643547|8.915610|17.737810|8.918999|7.084504|6.429996|5.632627|6.608565|9.915205|3.914924|3.621866|3.546348|3.064685|2.773459|2.808312|3.159876|2.384367|3.945740|3.028130|2.688572|1.902146|3.537072|1.688835|1.679336|0.047490|1.487616|2.491702|1.949481|1.495770|1.395385|1.427035|1.578122|1.728244|1.673642|13.099507|0.124134|0.107558|0.124233|0.500000| |8.907682|5.645991|4.951916|5.642165|8.936407|17.718331|4.127542|4.445792|3.868280|4.147466|5.226914|2.608785|2.487406|2.470279|2.267627|2.119964|2.129967|2.292467|1.917181|3.227267|2.498075|2.292065|1.659783|3.091220|1.509976|1.535815|0.043617|1.382356|2.329647|1.820000|1.389992|1.300921|1.328148|1.459322|1.588155|1.543557|12.054280|0.214730|0.124092|0.107543|0.215349|0.500000| |2.491113|2.561081|3.052508|3.765934|3.551408|2.834670|5.014318|6.395813|8.230040|12.641127|9.825068|17.643863|8.857405|7.285748|4.769031|3.975548|4.185407|5.591405|3.048646|4.989021|3.627940|3.064756|2.040795|3.690268|1.775849|1.668110|0.046397|1.476640|2.474924|1.935925|1.487061|1.403954|1.437685|1.573111|1.694589|1.639022|12.447844|0.060958|0.063363|0.083054|0.111358|0.073607|0.500000| |2.308999|2.454894|2.963597|3.469887|3.088571|2.524674|4.718651|6.999822|10.484903|12.758245|7.985628|17.639292|8.846846|5.811119|4.276311|3.977544|4.652572|6.875265|3.041423|4.841838|3.735690|3.118316|2.082860|3.809422|1.796490|1.670642|0.046845|1.479101|2.500481|1.919466|1.456213|1.369080|1.385581|1.498653|1.616935|1.589716|12.167851|0.056767|0.061965|0.084384|0.091377|0.064600|0.301327|0.500000| |2.272457|2.252892|2.568120|3.124562|3.176476|2.629898|3.741525|4.587257|5.297729|7.044745|6.806665|7.008702|8.914977|17.717571|8.939371|5.648550|4.957124|5.648440|4.145495|6.976095|4.523436|3.766309|2.422872|4.265833|2.090319|1.943495|0.053123|1.696885|2.793654|2.244721|1.759232|1.660072|1.723789|1.926426|2.089565|1.977029|14.854366|0.056657|0.055964|0.068283|0.103192|0.070979|0.223513|0.149164|0.500000| |1.959092|1.929966|2.135262|2.486138|2.548926|2.218598|2.808084|3.547835|3.930793|4.678871|4.592562|4.089617|5.636292|8.898411|17.755434|8.956979|5.654893|4.959219|7.244045|13.409692|6.592821|5.379173|3.228244|5.417324|2.729326|2.461304|0.065570|2.098100|3.374949|2.790705|2.236993|2.094669|2.194354|2.511778|2.775802|2.577441|19.104379|0.049875|0.048781|0.057095|0.079920|0.060882|0.113244|0.098741|0.214904|0.500000| |1.954044|2.036315|2.317341|2.568186|2.407787|2.096894|3.009557|4.230999|4.827024|5.066487|4.501920|4.105691|5.649511|4.958809|5.638281|8.867257|17.732757|8.971147|6.872872|8.629728|9.938618|6.596029|4.148139|7.845476|3.138340|2.721922|0.077186|2.265338|3.786027|2.820802|2.107652|1.903862|1.870298|2.022416|2.275815|2.334141|18.794586|0.049414|0.052579|0.065219|0.070083|0.055040|0.096381|0.110153|0.107623|0.124161|0.500000| |2.258915|2.420356|2.893945|3.278392|2.905471|2.427308|4.236949|6.414318|8.409379|8.540896|6.478511|7.021265|8.900294|5.649608|4.955883|5.642908|8.946247|17.713463|4.085546|5.948339|5.290141|4.132117|2.754401|5.203215|2.263066|2.068265|0.058868|1.784840|3.018766|2.263952|1.696890|1.562485|1.554978|1.679599|1.852241|1.863537|14.730658|0.055865|0.061762|0.083340|0.083964|0.062027|0.141033|0.198740|0.124103|0.107627|0.217092|0.500000| |1.861591|1.895663|2.086809|2.288844|2.229090|2.000282|2.528725|3.408003|3.653204|3.867959|3.711299|2.996396|3.854750|3.891211|4.865368|7.206707|7.007677|4.755333|9.227537|10.933042|26.006863|13.037654|7.920292|15.267910|4.874796|4.021449|0.113626|3.084839|4.991907|3.731822|2.790813|2.419849|2.335266|2.554614|3.009719|3.193013|27.318761|0.047795|0.049145|0.057556|0.064998|0.053549|0.074924|0.078161|0.090084|0.121020|0.231774|0.117004|0.500000| |1.540733|1.538162|1.652192|1.801619|1.805525|1.659366|1.940937|2.577793|2.742156|2.936337|2.865454|2.324178|2.850414|3.112095|3.985878|4.881989|4.026785|3.132556|7.881393|15.355244|12.943078|26.037528|9.208210|10.858730|7.226331|4.951978|0.120054|3.841297|5.832574|4.911079|3.904607|3.391326|3.283554|3.610063|4.270449|4.494324|33.174662|0.040242|0.040137|0.045142|0.053158|0.045470|0.061120|0.061184|0.076852|0.114431|0.116009|0.077540|0.188447|0.500000| |1.396136|1.389305|1.466196|1.568054|1.577787|1.482957|1.649148|2.195093|2.285836|2.401456|2.375719|1.847705|2.162539|2.298547|2.737078|3.139253|2.817972|2.346077|4.115130|7.644160|6.674539|10.335184|8.817573|10.400585|17.581089|8.752623|0.173723|6.735712|9.175676|8.345398|6.279254|4.861737|4.166788|4.234539|5.100008|6.526428|44.898102|0.036936|0.036646|0.040081|0.045802|0.040871|0.048949|0.049058|0.058555|0.078311|0.082473|0.060371|0.122241|0.230607|0.500000| |1.369808|1.377464|1.454692|1.536581|1.525821|1.437304|1.616196|2.181698|2.264540|2.337668|2.295079|1.778802|2.059487|2.121842|2.460174|2.873067|2.725304|2.284919|3.576314|6.197554|6.135807|8.669032|9.054194|12.265011|17.539445|8.891400|0.212978|7.197874|11.445402|7.333521|4.652584|3.725076|3.158256|3.122929|3.619973|4.545438|36.110668|0.036265|0.036595|0.040127|0.043760|0.039292|0.046610|0.047743|0.053730|0.068181|0.082725|0.060181|0.120450|0.160686|0.301990|0.500000| |1.193900|1.178083|1.213747|1.272416|1.292429|1.249474|1.301285|1.727474|1.759754|1.824762|1.835055|1.371195|1.533191|1.607021|1.805943|1.950099|1.822328|1.618464|2.272556|4.173842|3.398278|4.109030|3.454643|5.511681|4.694520|5.701136|0.130351|9.583320|14.163868|26.001930|9.228435|7.357547|4.814173|4.034812|4.277146|5.776869|34.082459|0.032173|0.031469|0.033089|0.037031|0.034806|0.036832|0.036595|0.042279|0.051718|0.052455|0.042744|0.067303|0.086263|0.135731|0.127291|0.500000| |1.140443|1.118257|1.152594|1.217678|1.246516|1.203228|1.248232|1.647196|1.687036|1.766846|1.778648|1.342604|1.499215|1.598960|1.803805|1.902808|1.740797|1.554746|2.221278|4.241998|3.178014|3.785329|2.938405|4.583893|3.715670|3.952445|0.091370|4.832390|7.276468|9.883774|8.922810|17.706509|8.915319|5.641907|4.961461|5.642251|27.767186|0.030735|0.029754|0.031296|0.036031|0.033738|0.036472|0.035772|0.042565|0.052770|0.049188|0.040677|0.061316|0.083580|0.118530|0.097322|0.221392|0.500000| |1.156324|1.124075|1.157822|1.234330|1.277485|1.232343|1.264564|1.652475|1.696208|1.797598|1.820366|1.376083|1.534345|1.669197|1.886222|1.931279|1.730150|1.558410|2.235140|4.406682|3.053723|3.519286|2.585716|4.048614|3.010828|3.081693|0.073291|3.292098|5.025705|5.716838|5.647248|8.954416|17.724773|8.904452|5.655030|4.949327|24.101811|0.031159|0.029745|0.031235|0.037293|0.034838|0.037842|0.036439|0.045088|0.056527|0.047846|0.040353|0.058189|0.079872|0.096902|0.076560|0.113880|0.215705|0.500000| 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