Version2.1 2021-01-27T11:46:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)N(c2ccccc2)Nc3c(c([nH+]cn3)Nc4cccc5c4nccc5)N C40758285 RHF 6-31G(d) (6D,7F) c1ccc(cc1)N(c2ccccc2)Nc3c(c([nH+]cn3)Nc4cccc5c4nccc5)N C01[X(C25H22N7)] 156 C1 524 Nc1c(nc[nH+]c1Nc1cccc2c1nccc2)NN(c1ccccc1)c1ccccc1 Nc1c(nc[nH+]c1Nc1cccc2c1nccc2)NN(c1ccccc1)c1ccccc1 Nc1c(NN(c2ccccc2)c3ccccc3)nc[nH+]c1Nc4cccc5cccnc45 InChIKey=MSRAIKSIYIVVCF-UHFFFAOYSA-O InChI=1S/C25H21N7/c26-22-24(30-21-15-7-9-18-10-8-16-27-23(18)21)28-17-29-25(22)31-32(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-17H,26H2,(H2,28,29,30,31)/p+1 InChI=1/C25H21N7/c26-22-24(30-21-15-7-9-18-10-8-16-27-23(18)21)28-17-29-25(22)31-32(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-17H,26H2,(H2,28,29,30,31)/p+1/fC25H22N7/h28,30-31H/q+1 c1ccc(cc1)N(c2ccccc2)Nc3c(c([nH+]cn3)Nc4cccc5c4nccc5)N C01[X(C25H22N7)] 156 C01 524 Nc1c(nc[nH+]c1Nc1cccc2c1nccc2)NN(c1ccccc1)c1ccccc1 N[C]1[C]([NH][C]2=[CH][CH]=[CH][C]3[C]2[N][CH][CH]=[CH]3)NC=[N][C]1[NH]N([C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1 N[C]1[C](NC=N[C]1NN([C]2[CH][CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH][CH]3)NC4=CC=C[C]5C=C[CH][N][C]45 InChIKey=VCWOANLFYVDNQN-UHFFFAOYSA-N InChI=1S/C25H22N7/c26-22-24(30-21-15-7-9-18-10-8-16-27-23(18)21)28-17-29-25(22)31-32(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-17H,26H2,(H3,28,29,30,31) InChI=1/C25H22N7/c26-22-24(30-21-15-7-9-18-10-8-16-27-23(18)21)28-17-29-25(22)31-32(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-17H,26H2,(H3,28,29,30,31)/f/h28,30-31H 2950.9665335185 -1340.4688809 1-A 17829.0299 110 414 524 |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| -15.78343 -15.74933 -15.73059 -15.71010 -15.70211 -15.69017 -15.67376 -11.49816 -11.48547 -11.47996 -11.39572 -11.39236 -11.38964 -11.38504 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1.0259 1.0589 1.6537 1.3923 1.7974 2.1586 2.1183 1.8902 1.8755 2.8503 2.4148 1.1420 1.5311 1.2552 1.4435 1.1653 1.5288 1.7290 3.8849 2.4663 1.9763 3.7273 4.7674 4.1745 3.3486 1.7458 10.8645 1.7911 2.1065 2.7028 2.4271 4.2690 2.7509 3.2269 3.1491 3.4900 4.2902 3.6540 3.7073 6.2521 6.1225 5.1016 9.2774 10.7819 10.5963 6.3030 6.7881 9.3525 8.4665 3.0004 10.1324 9.8466 7.2643 7.2589 7.3041 7.3058 7.3237 7.3259 7.3618 7.3743 7.3950 7.4091 7.4343 7.4480 7.4841 7.4875 7.5004 7.5226 7.5661 8.6663 9.2099 9.2879 9.3840 9.5486 0.1646 0.0296 0.2612 0.0799 0.0271 0.2597 0.0971 0.3006 0.2042 1.7211 3.4111 2.6396 2.2247 3.2206 10.5197 0.3233 1.5043 1.9470 3.3370 8.5417 2.6131 1.8440 17.0332 12.2852 0.1743 0.5000 0.2026 20.9410 7.2185 3.4887 3.7405 47.3482 15.3992 3.9363 7.0460 12.4552 15.9746 106.8740 9.4310 4.0882 58.7112 18.4962 7.9610 3.8332 16.2372 25.8800 31.8004 93.0457 97.6800 17.0171 105.7112 18.5257 18.2725 9.0001 46.5323 54.6434 34.7611 15.3798 5.4068 4.7302 50.9398 0.3385 31.1417 0.0768 11.9037 1.6537 0.2243 5.0944 0.8080 0.4686 2.2349 12.6026 4.8201 0.1523 22.3519 0.5284 0.5114 0.1458 0.5368 0.6386 8.1313 8.7398 0.6447 0.3386 3.1542 2.6172 11.9408 37.7347 8.7553 33.8592 2.9582 39.2589 62.3363 1.9366 48.2943 0.7300 4.5069 1.8590 4.9159 9.8327 69.0228 61.0164 1.1837 6.4818 76.4004 250.1096 109.2001 15.2628 26.3349 9.3192 114.8010 57.6036 205.0204 304.1816 71.2870 21.8845 41.5069 4.4293 2.2381 17.7943 113.0123 31.0884 322.1408 973.3919 101.9178 204.5907 19.5342 45.7797 49.1542 113.1771 9.2057 74.4944 42.3104 1085.6790 5.8136 4.5468 16.4399 0.5760 5.8096 0.1061 3.5627 14.4693 10.5269 33.9269 21.4776 27.8939 7.2276 1.9095 8.1200 7.1897 1.8470 21.0035 122.2255 109.1966 162.2957 25.1901 0.9220 2.8783 1.0561 7.5258 3.7463 6.2736 11.0556 4.2933 7.7098 0.4307 1.9261 2.3022 2.4081 0.2719 2.1893 2.3746 7.3000 1.0944 1.1529 2.6573 0.3651 1.7489 1.2741 3.7838 0.2672 3.8938 0.4667 1.5449 3.7767 0.9476 0.3556 1.4091 1.4551 1.2242 7.6290 4.0170 3.2871 2.6970 2.9132 1.5807 7.0700 4.2041 6.6170 4.6823 3.4940 3.6347 3.0981 2.1094 5.8097 0.9457 2.7070 3.3831 21.0865 8.0390 2.1858 4.2991 7.2180 17.7268 1.8469 1.6928 13.5575 2.0248 6.8337 2.1310 3.9772 0.9524 9.5259 1.6198 2.6696 6.0922 45.0524 1.4138 34.5617 0.5645 1.1311 2.3577 0.1796 1.2282 1.7635 1.4516 9.5872 10.8301 0.7847 1.8501 6.2895 0.1734 5.1651 4.6897 5.0324 6.5880 6.1034 25.4981 5.3030 4.6058 3.4279 0.8022 2.9054 3.5742 0.3771 2.7561 52.0938 2.0773 6.6447 10.8147 12.9421 31.0274 21.4243 0.6136 224.7767 1.6739 7.7729 23.7364 6.9200 6.0479 31.0747 3.3349 3.8545 2.6839 2.1873 0.3480 1.1162 7.8855 57.7325 25.1011 2.6561 134.1698 9.6139 27.6309 31.8955 48.0078 6.5231 23.6231 6.8870 29.5780 24.0437 36.2487 78.3330 93.4541 121.0023 24.2583 106.2563 88.1778 95.8977 66.1239 41.4614 50.6665 291.5913 251.6138 230.9789 225.9370 76.9899 96.0243 57.1453 64.2950 61.5367 50.5912 0.7338 0.7498 0.6342 0.7215 0.7476 0.7377 0.7333 0.7463 0.7301 0.7107 0.7311 0.3505 0.4282 0.7288 0.2780 0.7195 0.7067 0.5984 0.5779 0.7372 0.6705 0.4419 0.7486 0.5494 0.6745 0.6743 0.0817 0.6836 0.4313 0.7372 0.1993 0.2590 0.7367 0.6709 0.4583 0.5456 0.5113 0.3819 0.0094 0.4286 0.4349 0.6242 0.7462 0.7496 0.6894 0.1905 0.7451 0.7194 0.2662 0.7498 0.2988 0.3508 0.0482 0.3707 0.4965 0.3395 0.3965 0.1522 0.1619 0.4092 0.3057 0.7417 0.2180 0.7422 0.5045 0.6775 0.5367 0.7481 0.6838 0.5406 0.0923 0.2062 0.1049 0.4077 0.7111 0.7500 0.7411 0.7495 0.4765 0.1891 0.0671 0.1483 0.3238 0.7267 0.2633 0.7103 0.2869 0.3993 0.6810 0.7341 0.6998 0.1816 0.7247 0.6642 0.5394 0.7497 0.6460 0.5951 0.5478 0.1727 0.4152 0.2992 0.1712 0.4680 0.3320 0.7071 0.7041 0.7172 0.1376 0.5211 0.5574 0.1833 0.5696 0.2881 0.3677 0.1446 0.0518 0.4773 0.1179 0.1460 0.6524 0.2580 0.5497 0.7153 0.3728 0.5424 0.7500 0.6715 0.7375 0.4703 0.3337 0.7235 0.4988 0.6024 0.6514 0.6470 0.3845 0.7036 0.7442 0.3751 0.5928 0.7287 0.7490 0.6342 0.2964 0.2481 0.0984 0.1144 0.1866 0.1753 0.2568 0.1063 0.1213 0.1302 0.2146 0.7437 0.8464 0.8570 0.7762 0.8382 0.8556 0.8491 0.8462 0.8547 0.8440 0.8309 0.8447 0.5191 0.5996 0.8431 0.4351 0.8368 0.8282 0.7488 0.7325 0.8487 0.8027 0.6129 0.8562 0.7092 0.8056 0.8054 0.1511 0.8121 0.6026 0.8487 0.3324 0.4115 0.8484 0.8030 0.6286 0.7060 0.6766 0.5527 0.0187 0.6000 0.6062 0.7686 0.8547 0.8569 0.8161 0.3200 0.8540 0.8368 0.4205 0.8570 0.4601 0.5194 0.0919 0.5409 0.6635 0.5069 0.5679 0.2642 0.2786 0.5807 0.4683 0.8517 0.3580 0.8520 0.6706 0.8078 0.6985 0.8559 0.8122 0.7018 0.1689 0.3419 0.1898 0.5793 0.8311 0.8571 0.8513 0.8568 0.6454 0.3180 0.1258 0.2584 0.4892 0.8417 0.4169 0.8306 0.4459 0.5707 0.8102 0.8466 0.8234 0.3073 0.8404 0.7982 0.7008 0.8569 0.7850 0.7461 0.7079 0.2945 0.5868 0.4606 0.2923 0.6376 0.4985 0.8284 0.8264 0.8353 0.2419 0.6852 0.7158 0.3098 0.7258 0.4474 0.5377 0.2527 0.0985 0.6461 0.2110 0.2549 0.7896 0.4101 0.7094 0.8340 0.5432 0.7033 0.8571 0.8035 0.8489 0.6397 0.5004 0.8395 0.6656 0.7519 0.7889 0.7856 0.5554 0.8260 0.8533 0.5455 0.7443 0.8431 0.8565 0.7762 0.4572 0.3976 0.1791 0.2053 0.3145 0.2983 0.4087 0.1922 0.2164 0.2303 0.3534 0.8530 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 6 6 6 6 6 6 7 6 6 6 6 6 6 7 6 6 6 7 1 6 7 7 6 6 6 6 6 6 7 6 6 6 7 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 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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 6587.7448 27164.7144 31463.5586 1.00000 -0.00026 -0.00166 0.00026 1.00000 -0.00097 0.00166 0.00097 1.00000 1 0.01315 0.00319 0.00275 0.27395 0.06644 0.05736 14.48 23.03 27.86 46.93 50.01 61.94 72.97 100.25 107.35 150.58 213.66 272.65 280.96 282.89 297.94 355.90 368.69 392.40 415.76 432.12 473.09 497.17 535.33 583.07 656.43 663.16 666.95 678.74 712.15 737.83 753.71 768.69 797.33 807.05 826.18 841.39 862.65 882.94 902.79 908.83 935.28 961.60 973.59 974.99 987.82 996.28 1019.75 1059.45 1111.73 1112.05 1120.67 1124.53 1157.27 1198.87 1218.61 1229.87 1246.43 1250.56 1267.34 1268.07 1293.23 1347.26 1350.80 1380.42 1383.04 1417.44 1433.39 1461.59 1523.41 1539.34 1559.57 1569.75 1572.18 1580.66 1587.59 1593.73 1597.53 1601.10 1620.54 1621.97 1622.25 1632.14 1637.38 1639.31 1661.88 1695.10 1717.85 1724.13 1745.66 1757.29 1761.04 1785.77 1796.83 1859.43 1861.32 1876.93 1879.50 1882.28 1915.86 1926.94 1947.87 1976.82 1987.08 2000.64 2047.78 2061.15 2093.91 2109.53 2123.68 2138.66 2159.67 2210.38 2237.88 2274.13 2288.44 2323.39 2325.79 2339.15 2365.54 2402.66 2405.57 2410.55 2431.44 2559.30 2566.47 2571.95 2577.91 2591.22 2594.25 2602.89 2606.20 2625.33 2637.16 2684.56 4842.19 4842.70 4848.60 4852.33 4856.77 4858.71 4866.76 4867.71 4873.64 4879.52 4882.08 4889.35 4892.08 4896.38 4899.32 4905.49 4920.86 5390.03 5482.07 5503.89 5523.45 5524.67 0.468260 0.492185 0.493130 0.409569 -1340.000621 -1339.976696 -1339.975751 -1340.059312 2.802650D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2021 DUDE c1ccc(cc1)N(c2ccccc2)Nc3c(c([nH+]cn3)Nc4cccc5c4nccc5)N C40758285 RHF 6-31G(d) (6D,10F) C1 420.193669 |X|Y|Z| 55.720230 28.081268 118.049510 56.950552 31 6 7 25 6 |36.858105| |13.747614|36.858105| |7.932450|13.746724|36.858105| |6.878985|7.946783|13.753674|36.858105| |7.933301|6.869513|7.922197|13.724998|36.858105| |13.740770|7.936603|6.868820|7.942295|13.755138|36.858105| |4.528943|5.145432|7.844462|13.251723|7.745018|5.117744|53.358707| |3.738865|4.001744|5.335187|7.685620|6.205464|4.333399|18.226723|36.858105| |3.021559|3.154213|3.942286|5.184579|4.655083|3.485599|10.535532|13.739160|36.858105| |2.604766|2.672541|3.189052|3.950384|3.743891|2.974897|6.964114|7.923741|13.713378|36.858105| |2.600397|2.652775|3.106040|3.750450|3.609843|2.947358|6.155851|6.827116|7.910643|13.804446|36.858105| |3.020278|3.104976|3.672941|4.447941|4.213256|3.413209|7.029538|7.926809|6.892615|7.989001|13.721103|36.858105| |3.730260|3.943693|4.986362|6.483893|5.653644|4.252827|10.722270|13.669984|7.941142|6.893758|7.912706|13.802750|36.858105| |3.902079|4.350327|6.020815|8.138393|5.981912|4.334273|18.847626|8.022785|6.876242|4.580364|3.812364|3.987846|5.225382|53.358707| |3.320860|3.818079|5.087383|5.708562|4.351857|3.475545|10.887094|5.730234|5.342310|3.895211|3.288914|3.380534|4.191529|19.502380|36.858105| |2.861723|3.182273|3.906093|4.242135|3.558204|2.984626|7.092893|4.199049|4.228430|3.294451|2.780735|2.776431|3.262774|10.944558|13.597898|36.858105| |2.471777|2.769063|3.294806|3.391245|2.883278|2.510648|5.438588|3.393176|3.428741|2.823585|2.441180|2.431378|2.781780|7.181556|7.983926|13.697069|36.858105| |2.422758|2.779652|3.337534|3.315003|2.752175|2.413491|5.325450|3.358329|3.310261|2.769981|2.446332|2.469003|2.825059|6.487024|7.139596|8.098876|14.034803|53.358707| |2.179150|2.481159|2.899607|2.845264|2.412813|2.155332|4.447513|2.889049|2.867813|2.474232|2.216049|2.228554|2.500553|5.192543|5.197132|5.840858|9.326428|25.965559|0.500000| |2.690181|3.174842|3.985165|3.902015|3.090308|2.663910|6.499290|4.010222|3.784565|3.106341|2.771856|2.862006|3.361998|7.518505|8.461410|7.074956|8.103413|19.230099|0.259592|36.858105| |3.160215|3.778911|5.097713|5.196933|3.858379|3.183242|9.540463|5.379017|4.801519|3.695842|3.251979|3.422738|4.237015|11.269361|14.004256|7.886154|6.889760|11.175899|0.165281|14.977091|53.358707| |2.182290|2.393000|2.740635|2.808036|2.482444|2.214802|4.328682|2.791920|2.865422|2.442811|2.131868|2.103229|2.351588|5.460936|5.253701|7.988116|14.354426|11.176385|0.209917|5.357453|6.339726|53.358707| |1.906122|2.085300|2.345565|2.365864|2.112686|1.916243|3.593478|2.383705|2.449729|2.154427|1.911192|1.881049|2.065514|4.291364|3.939983|5.117744|7.765609|9.106568|0.211415|4.542976|5.159744|18.164579|36.858105| |1.807225|1.972236|2.170622|2.150255|1.940618|1.794655|3.171353|2.098443|2.122976|1.887091|1.702009|1.690642|1.851920|3.696617|3.276966|4.050891|5.494766|6.899412|0.161357|3.752561|4.348089|10.753396|13.998275|36.858105| |1.603723|1.740299|1.894398|1.871384|1.704098|1.589129|2.742893|1.849388|1.876485|1.699770|1.548861|1.534618|1.659341|3.114009|2.687618|3.160733|4.026889|5.386070|0.128186|3.123605|3.647826|6.978790|7.901224|13.474684|36.858105| |1.510929|1.635286|1.788757|1.781628|1.623737|1.506227|2.641137|1.812340|1.860689|1.705282|1.552909|1.525550|1.632356|2.971632|2.551595|2.945759|3.708135|5.095498|0.122697|3.010698|3.506348|6.154433|6.834854|7.933141|14.018983|36.858105| |1.566732|1.697431|1.883273|1.899946|1.721429|1.575957|2.875138|1.991547|2.075722|1.901631|1.712326|1.665444|1.777028|3.260511|2.835066|3.293111|4.226552|5.834217|0.141451|3.386017|3.902021|6.936997|7.832637|6.833610|7.897246|13.435963|36.858105| |1.752809|1.908175|2.151093|2.191055|1.964029|1.773789|3.376346|2.311042|2.423218|2.174404|1.925560|1.869492|2.018378|3.942059|3.547253|4.326709|6.004077|7.890744|0.189580|4.224712|4.789025|10.508949|13.349814|7.865913|6.783556|7.800232|13.556015|36.858105| |1.802885|1.958160|2.240229|2.328225|2.078872|1.847496|3.691636|2.578240|2.777012|2.493124|2.167549|2.071042|2.222705|4.334855|3.913604|4.695538|6.192038|8.127249|0.178914|4.556598|5.262432|9.300707|7.957168|5.235134|4.578469|5.149332|7.866047|14.078585|53.358707| |1.647493|1.777612|2.018213|2.101405|1.895084|1.691687|3.318389|2.385428|2.599071|2.408194|2.110878|1.993378|2.095569|3.769944|3.266494|3.681062|4.439821|6.126154|0.134829|3.785749|4.490362|6.351644|5.332988|4.058926|3.864578|4.599617|6.988503|8.383691|20.018945|36.858105| |1.484705|1.596923|1.785083|1.835028|1.670069|1.512959|2.832776|2.038090|2.186155|2.058544|1.843946|1.753850|1.829295|3.151093|2.673105|2.960860|3.523993|4.953802|0.112442|3.127410|3.718656|5.166685|4.585980|3.822924|3.962594|5.131882|7.951778|6.985668|10.825318|13.452205|36.858105| |1.454621|1.567598|1.736641|1.762865|1.606360|1.469732|2.677831|1.895081|1.996794|1.864919|1.685865|1.624499|1.708077|2.983292|2.540264|2.851148|3.472278|4.879919|0.114461|3.005981|3.531775|5.316347|5.127815|4.529359|5.113569|7.640480|13.423966|7.901978|9.294944|7.998095|14.047631|36.858105| |2.761439|2.939388|3.451415|3.852955|3.475086|2.952340|6.085154|3.755434|3.905448|3.113030|2.614662|2.571233|2.959639|8.979150|7.622739|13.471142|7.949706|7.142305|0.119350|4.639285|6.939886|9.392130|4.571333|3.766305|2.970170|2.749997|3.022475|3.863002|5.600161|3.314831|2.721224|2.634912|53.358707| |17.726141|8.914682|5.644073|4.955798|5.645340|8.914874|4.909964|3.099538|2.590902|2.287749|2.300196|2.636476|3.133298|4.376678|2.824114|2.504834|2.209103|2.951893|0.054920|2.372019|3.690462|2.702083|1.756245|1.684089|1.506826|1.418050|1.459446|1.617003|2.247004|1.516219|1.378917|1.357521|3.327122|0.500000| |8.913289|17.724381|8.924341|5.652038|4.950773|5.644853|5.684562|3.372631|2.742797|2.370811|2.365832|2.738870|3.364150|5.005820|3.406269|2.911853|2.618069|3.638705|0.067304|3.035587|4.737145|3.114166|2.024880|1.940750|1.724158|1.614674|1.661097|1.849918|2.555217|1.708155|1.549135|1.532031|3.636603|0.214901|0.500000| |5.634187|8.873595|17.733366|8.957210|5.650059|4.951360|9.897930|5.059255|3.828070|3.111231|3.018135|3.529877|4.701480|8.007392|5.518647|4.122594|3.585379|5.164889|0.091059|4.762960|8.374149|3.974479|2.513795|2.319099|2.020396|1.908689|2.013540|2.305570|3.261232|2.149929|1.899094|1.850660|4.711333|0.123888|0.213908|0.500000| |5.640961|4.949827|5.639306|8.904649|17.710272|8.906781|9.659448|6.583192|5.245617|4.230538|4.002988|4.520199|5.813558|7.884636|4.144092|3.470633|2.793991|3.578644|0.064228|2.906962|4.888778|3.307457|2.068747|1.887003|1.662214|1.594418|1.700981|1.942165|2.827601|1.905656|1.673169|1.597543|4.757584|0.124090|0.107482|0.124333|0.500000| |8.908630|5.644559|4.950539|5.649738|8.929742|17.726091|5.649413|3.737459|3.153095|2.774183|2.765404|3.137563|3.716723|4.983749|2.996960|2.655038|2.259087|2.936131|0.054053|2.340454|3.726197|2.762091|1.770485|1.666216|1.485567|1.411244|1.472852|1.646654|2.331553|1.578822|1.419853|1.379621|3.661514|0.214857|0.124104|0.107510|0.215112|0.500000| |2.866062|2.995338|3.712588|4.773076|4.298761|3.278305|9.553997|8.879224|17.756047|8.952913|5.652901|4.965511|5.636220|10.556795|6.163336|5.067649|3.951472|4.983058|0.086887|4.044467|6.918426|4.464424|2.740127|2.331877|2.036755|2.017734|2.272995|2.704546|4.288142|2.900433|2.388746|2.170922|6.490305|0.068731|0.072929|0.101068|0.133545|0.082875|0.500000| |2.306566|2.352969|2.751401|3.315817|3.191802|2.611121|5.652265|5.649942|8.943652|17.717132|8.931678|5.663102|4.962824|5.419698|3.525612|3.125067|2.723220|3.596750|0.066296|2.880301|4.509832|3.270256|2.137755|1.865738|1.690161|1.709273|1.918723|2.187038|3.450594|2.485902|2.120631|1.900760|4.106702|0.057064|0.058706|0.075038|0.099871|0.068681|0.217570|0.500000| |2.302210|2.330126|2.658792|3.110286|3.047192|2.579176|4.905008|4.929389|5.630752|8.914362|17.733563|8.887283|5.635110|4.287970|2.797527|2.434330|2.179823|2.978818|0.055846|2.441153|3.787776|2.634916|1.759730|1.576826|1.448977|1.460742|1.607818|1.787490|2.731026|1.981451|1.750889|1.597887|3.149614|0.057537|0.058559|0.072098|0.093133|0.068399|0.124335|0.214596|0.500000| |2.878155|2.936298|3.352181|3.866454|3.739788|3.188459|5.711691|5.649224|4.962636|5.666681|8.904494|17.722337|8.975130|4.528992|2.898011|2.428302|2.166870|3.017889|0.056304|2.552564|4.052661|2.582798|1.718027|1.560539|1.428179|1.420671|1.540161|1.709238|2.551459|1.816047|1.619280|1.507721|3.076038|0.071039|0.073102|0.089674|0.108849|0.082575|0.107744|0.124282|0.214125|0.500000| |4.297178|4.641170|5.859958|7.136165|6.050472|4.739020|9.881125|8.895578|5.648434|4.965371|5.640040|8.943157|17.749404|6.502555|3.926694|3.069888|2.652601|3.709125|0.067396|3.264058|5.546045|3.063224|1.987528|1.804271|1.619694|1.583556|1.706175|1.924604|2.839174|1.959652|1.729289|1.632164|3.774971|0.098905|0.108881|0.150449|0.157796|0.111777|0.123872|0.107735|0.124103|0.216869|0.500000| |3.839821|4.049728|5.191626|7.077593|6.106439|4.438413|12.696816|6.689047|6.317203|4.368114|3.598225|3.670162|4.601827|25.990509|9.485557|7.507400|4.867998|5.664100|0.095026|4.479315|8.089996|5.329461|3.052805|2.649422|2.230001|2.118904|2.311771|2.784819|4.139368|2.648224|2.224861|2.113280|10.288563|0.088814|0.094892|0.133828|0.175140|0.106918|0.209007|0.108517|0.083826|0.085884|0.116594|0.500000| |2.518486|2.985788|3.664166|3.485477|2.796449|2.458237|5.603154|3.605236|3.375767|2.876634|2.639609|2.749788|3.173717|5.991564|5.881429|5.059497|5.784518|12.603626|0.228543|17.739202|12.773513|5.924169|4.002648|3.438170|2.980538|2.919067|3.252352|3.868633|5.587273|3.577924|3.056558|2.949607|5.007480|0.062378|0.081038|0.123597|0.072853|0.060307|0.096969|0.074171|0.065355|0.069317|0.086932|0.101718|0.500000| |2.173457|2.341240|2.654198|2.768144|2.501183|2.233447|4.228824|2.743072|2.850061|2.431812|2.108251|2.065772|2.300366|5.399761|4.915314|7.645347|9.746977|8.144133|0.151139|4.426258|5.616619|25.938926|9.082758|6.549511|4.534094|4.017230|4.435003|6.221792|7.899224|4.208015|3.465552|3.528572|11.223590|0.055041|0.061678|0.076794|0.068795|0.057333|0.091791|0.066947|0.053269|0.051695|0.060874|0.112317|0.101502|0.500000| |1.893373|2.066348|2.252182|2.210751|2.001867|1.867577|3.203428|2.088884|2.086869|1.843763|1.669968|1.672309|1.845190|3.742038|3.284616|4.067557|5.281172|6.448996|0.142889|3.616941|4.292444|9.917646|9.036349|17.727025|8.817066|5.653009|4.932309|5.611707|5.761712|3.377009|3.159688|3.607669|5.259637|0.049156|0.056705|0.066531|0.053701|0.048131|0.063425|0.050300|0.042867|0.042949|0.050296|0.075089|0.091343|0.178791|0.500000| |1.536745|1.662127|1.786722|1.752053|1.606529|1.513954|2.531494|1.706369|1.719024|1.564496|1.437344|1.430866|1.544840|2.841871|2.411338|2.784458|3.413943|4.584690|0.106497|2.758194|3.275761|5.682496|5.648536|8.845152|17.743680|8.992805|5.616507|4.907589|4.953974|3.182795|3.297970|4.134808|3.611669|0.040393|0.046052|0.052730|0.043408|0.039455|0.051411|0.043119|0.037466|0.037197|0.042142|0.056762|0.073893|0.106127|0.213772|0.500000| |1.396964|1.505694|1.634006|1.624034|1.489624|1.390389|2.390680|1.654265|1.696789|1.571857|1.442841|1.417342|1.505726|2.652285|2.239169|2.528584|3.073907|4.267321|0.100860|2.620004|3.094626|4.903480|4.932385|5.631809|8.997931|17.719869|8.841945|5.589099|5.674553|3.975721|4.682842|6.996224|3.242680|0.036611|0.041451|0.048289|0.040674|0.036341|0.050686|0.043856|0.037936|0.036880|0.040673|0.052620|0.071707|0.091279|0.124044|0.215892|0.500000| |1.658999|1.782482|2.034512|2.146662|1.940377|1.718118|3.437119|2.529820|2.821481|2.652509|2.299540|2.135325|2.218391|3.869638|3.290068|3.594956|4.096821|5.637629|0.118490|3.682457|4.514432|5.564138|4.315802|3.384814|3.190638|3.651322|5.010466|5.884645|12.832468|17.700884|8.825644|5.680852|4.426175|0.042284|0.047274|0.059920|0.054675|0.044603|0.087750|0.077238|0.060147|0.053751|0.056925|0.075403|0.096711|0.105230|0.081183|0.075231|0.090346|0.500000| |1.397005|1.495526|1.664086|1.714013|1.569995|1.426114|2.637023|1.924309|2.072723|1.986397|1.792613|1.695231|1.746733|2.888308|2.402589|2.601543|2.992978|4.220995|0.093933|2.767406|3.355174|4.287189|3.645649|3.152246|3.290770|4.130287|5.625395|5.015058|7.757525|8.817544|17.748940|8.956330|3.286927|0.036145|0.040318|0.048988|0.043850|0.037328|0.062288|0.057254|0.047738|0.043701|0.045809|0.056745|0.076122|0.081420|0.074583|0.078793|0.110231|0.213602|0.500000| |1.351470|1.451590|1.593302|1.609391|1.475858|1.361080|2.417688|1.716934|1.799058|1.695531|1.548703|1.496380|1.565004|2.660178|2.230872|2.466706|2.932950|4.134904|0.096023|2.615806|3.111329|4.440665|4.152580|3.927492|4.664784|6.969941|8.811961|5.619791|6.709176|5.647575|8.977970|17.718604|3.137589|0.035231|0.039594|0.047039|0.040738|0.035627|0.053797|0.047991|0.041027|0.038849|0.041739|0.052499|0.072266|0.083290|0.089525|0.110428|0.209879|0.124111|0.213620|0.500000| |3.016529|3.169588|3.651054|4.060937|3.751445|3.232175|6.037552|3.627068|3.638131|2.918583|2.500947|2.500090|2.902575|8.651317|6.629621|9.291232|6.193712|6.103030|0.104423|4.114909|6.256537|7.611084|3.954630|3.449472|2.753988|2.514935|2.690422|3.318238|4.663008|2.838010|2.399979|2.354629|25.920017|0.074110|0.079470|0.099124|0.103618|0.081807|0.118891|0.077699|0.061558|0.061499|0.076793|0.214937|0.092999|0.181668|0.101649|0.069798|0.061223|0.077220|0.059800|0.058119|0.500000| 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