Version2.2 2021-02-10T16:43:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 03-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)N[C@@H]3N2[C@@H](NC(=[NH+]3)N)C4=C(N=NC4)c5ccc6c(c5)OCCO6 C64186028 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)N[C@@H]3N2[C@@H](NC(=[NH+]3)N)C4=C(N=NC4)c5ccc6c(c5)OCCO6 C01[X(C20H20N7O2)] 141 C1 475 NC1=[NH+][C@H]2N([C@@H](N1)C1=C(N=NC1)c1ccc3c(c1)OCCO3)c1c(N2)cccc1 NC1=[NH+][C@H]2N([C@@H](N1)C1=C(N=NC1)c1ccc3c(c1)OCCO3)c1c(N2)cccc1 NC1=[NH+][C@@H]2Nc3ccccc3N2[C@@H](N1)C4=C(N=NC4)c5ccc6OCCOc6c5 InChIKey=MONRHGBHRDWPBX-QUCCMNQESA-O InChI=1S/C20H19N7O2/c21-19-24-18(27-14-4-2-1-3-13(14)23-20(27)25-19)12-10-22-26-17(12)11-5-6-15-16(9-11)29-8-7-28-15/h1-6,9,18,20,23H,7-8,10H2,(H3,21,24,25)/p+1/t18-,20+/m1/s1 InChI=1/C20H19N7O2/c21-19-24-18(27-14-4-2-1-3-13(14)23-20(27)25-19)12-10-22-26-17(12)11-5-6-15-16(9-11)29-8-7-28-15/h1-6,9,18,20,23H,7-8,10H2,(H3,21,24,25)/p+1/t18-,20+/m1/s1/fC20H20N7O2/h24-25H,21H2/q+1 c1ccc2c(c1)N[C@@H]3N2[C@@H](NC(=[NH+]3)N)C4=C(N=NC4)c5ccc6c(c5)OCCO6 C01[X(C20H20N7O2)] 141 C01 475 NC1=[NH+][C@H]2N([C@@H](N1)C1=C(N=NC1)c1ccc3c(c1)OCCO3)c1c(N2)cccc1 [NH2][C]1[NH][C@@H](C2=C(N=NC2)[C]2[CH][CH][C]3[C]([CH]2)OCCO3)[N@]2[C@H]([NH]1)N[C]1[C]2[CH][CH][CH][CH]1 N[C]1N[C@@H]2N[C]3[CH][CH][CH][CH][C]3N2[C@@H](N1)C4=C(N=NC4)[C]5[CH][CH][C]6OCCO[C]6[CH]5 InChIKey=DVHHZXBFNROIKL-QUCCMNQESA-N InChI=1S/C20H20N7O2/c21-19-24-18(27-14-4-2-1-3-13(14)23-20(27)25-19)12-10-22-26-17(12)11-5-6-15-16(9-11)29-8-7-28-15/h1-6,9,18,20,23-25H,7-8,10,21H2/t18-,20+/m1/s1 InChI=1/C20H20N7O2/c21-19-24-18(27-14-4-2-1-3-13(14)23-20(27)25-19)12-10-22-26-17(12)11-5-6-15-16(9-11)29-8-7-28-15/h1-6,9,18,20,23-25H,7-8,10,21H2/t18-,20+/m1/s1 2726.2117448808 -1299.6136811 1-A 12798.0946 102 373 475 |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| 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511.9237 515.9497 521.4443 537.4590 567.5481 570.1893 602.8420 620.6324 639.2597 650.4521 659.2794 677.1016 685.3984 727.2303 740.6139 773.9341 784.2837 794.0483 802.7109 810.2816 813.4538 833.6703 848.0909 862.7914 923.3012 925.8924 942.5720 977.8899 980.6453 996.3899 1009.0481 1011.6595 1018.6232 1043.8084 1045.0871 1060.7315 1061.8922 1065.8212 1096.8475 1105.6571 1117.6345 1146.3277 1152.9180 1168.7455 1179.1635 1201.5499 1204.8928 1215.5991 1223.4724 1231.8564 1237.4020 1243.3789 1263.4116 1270.9081 1280.2483 1288.3968 1313.6859 1325.3481 1352.3126 1361.2272 1378.5584 1398.0449 1416.9584 1418.9013 1425.5194 1447.5498 1457.1153 1460.4170 1473.5248 1505.1120 1524.3084 1538.1048 1541.2748 1566.1594 1579.0819 1584.4893 1587.4005 1595.4845 1628.7074 1642.9273 1654.1606 1657.7939 1662.8327 1695.0562 1753.9929 1776.2355 1794.7148 1806.0900 1811.3790 1820.6673 1825.2156 1847.9180 1884.7529 3159.4782 3231.6159 3234.7165 3244.5944 3248.8792 3278.4440 3326.1941 3328.2839 3365.8068 3378.0912 3387.7306 3400.7456 3402.0874 3411.2040 3415.9941 3801.6424 3818.2410 3831.2991 3849.3667 3939.4175 5.7841 5.3786 5.3433 4.9976 6.1611 5.0327 4.6979 4.3771 4.4310 4.8994 4.7210 4.2552 4.5978 5.2934 3.5355 4.5026 4.9673 5.3621 2.9126 2.8680 1.7049 2.1279 3.0544 1.8490 2.7197 5.5853 2.9117 2.7312 4.7827 3.9479 1.2592 5.2200 3.9463 4.3017 3.2364 2.6246 2.1002 3.5060 3.9384 4.6318 4.2653 3.1203 3.0646 3.9517 5.4197 6.2354 5.0938 5.0996 4.9525 5.4355 1.3271 3.3551 1.6597 3.2585 5.9933 1.5931 2.6431 2.0000 5.6699 2.0525 1.9346 2.5265 3.1484 1.4143 1.3699 2.9274 3.3342 2.8888 1.3211 2.6359 4.4738 3.6168 3.7498 2.5197 2.7959 1.9070 2.4534 1.9414 2.3066 1.7871 2.2607 1.1680 3.7569 2.9254 3.0990 2.2236 2.0689 2.3951 1.8291 1.4705 1.3540 1.5458 1.4851 1.3727 1.7866 2.0425 1.7727 1.7386 2.3069 1.4245 1.2765 1.4755 2.3912 1.1763 1.7909 1.9972 1.5389 2.3277 1.1260 1.1368 2.6891 3.1169 5.3804 7.3055 1.6217 6.2770 5.8401 5.7635 8.8970 1.9883 10.6796 1.0851 1.0649 1.0711 1.0650 1.0863 1.0999 1.0992 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7.2712 7.3250 7.3877 7.4630 7.4776 7.4953 7.5311 9.1739 9.0301 9.3115 9.4228 10.1301 0.4614 1.4803 1.2964 3.1251 6.2925 0.7560 5.4169 1.1172 2.6612 2.9399 2.9788 3.6438 0.9946 1.7489 7.0328 4.4555 2.0232 0.4734 13.7823 3.5746 144.9658 71.4667 13.6713 28.3116 44.2307 1.9853 14.9589 4.0452 20.3071 7.4959 119.9643 3.7290 1.5452 5.7800 18.6147 22.9247 61.5412 11.0434 3.7490 16.8580 11.3998 38.0660 26.0978 53.8352 18.9441 14.2030 10.0015 8.7470 28.1656 5.0397 48.5574 43.8479 17.2758 41.2888 18.2733 17.5587 52.3227 55.3213 9.1605 4.8918 20.0484 15.3687 32.7872 4.7162 5.1260 33.4471 0.4336 11.6161 0.1246 18.5036 2.5968 20.7172 14.3055 0.5328 100.5365 10.9724 8.7235 6.8648 32.7022 17.9983 75.8763 3.4158 31.9547 23.7357 10.8718 25.2565 31.9083 23.1276 65.6080 31.4286 38.3753 13.3280 7.6306 64.0097 223.0696 276.2450 140.1636 88.4053 80.9258 6.0104 42.0970 45.5954 45.2771 28.6799 135.2866 70.0392 99.8544 41.6312 9.2039 11.3606 178.8294 358.6017 479.3407 83.9799 195.1584 19.2285 10.3080 15.8703 35.0692 776.3694 71.8470 57.2681 7.9930 35.7098 50.4813 21.4966 2.7905 44.1780 24.6535 25.9811 1.4507 4.5192 4.7058 13.5552 0.1745 5.8726 41.3389 164.8037 208.4696 78.2025 126.3663 4.6487 3.9432 4.6665 1.4528 1.5831 2.1753 0.5607 1.3311 1.4943 1.6659 3.4296 2.3344 4.4478 3.7537 0.4881 1.1281 2.7443 1.6256 3.5121 1.3173 0.2196 1.5623 1.6184 3.5224 6.9717 3.5953 1.0586 4.2818 3.5552 1.0151 1.8008 2.9096 1.7426 2.2911 0.7375 4.7804 2.7585 0.4888 8.8809 0.8466 1.0870 0.7692 2.4114 2.5426 3.4631 2.8608 9.0724 1.0902 13.9526 19.9325 1.1420 4.8408 12.5628 19.2450 4.9019 1.9572 3.2820 1.4165 14.1724 6.4923 0.4015 1.0227 6.7521 0.9453 1.1199 3.6515 14.1614 14.6911 0.0973 3.9163 7.3887 4.5072 3.2372 2.4548 4.7894 0.1874 3.7909 4.4938 5.7656 17.5863 0.7380 12.8610 36.1545 2.9873 28.9273 15.7344 17.4740 4.9157 3.0971 5.2139 12.9569 19.8936 1.7296 13.4278 19.3284 69.5862 13.8451 11.7706 69.2415 14.0486 10.4342 1.9690 6.6565 50.8789 26.6447 8.1224 3.0829 6.3933 17.0313 9.4943 6.4458 3.9291 11.1119 49.2124 12.6667 189.8295 29.4115 54.3317 452.3761 8.3459 369.1415 64.5389 203.4386 149.4740 58.9596 68.4053 104.5637 181.9111 122.6537 43.4620 52.3602 103.1673 95.1961 162.8675 55.8726 118.1007 104.1959 66.1274 75.2463 71.0277 54.8078 0.6940 0.7245 0.7489 0.6308 0.7201 0.7304 0.0858 0.5884 0.7158 0.6918 0.6854 0.7499 0.5835 0.4258 0.5983 0.6681 0.1997 0.7278 0.5669 0.1942 0.4299 0.1438 0.7295 0.2612 0.1377 0.5800 0.6507 0.6939 0.5325 0.6727 0.6489 0.1903 0.5505 0.6945 0.7246 0.6955 0.4555 0.4779 0.5934 0.4191 0.6102 0.5884 0.2042 0.5141 0.3834 0.0189 0.2008 0.7497 0.4464 0.2206 0.7421 0.4941 0.1430 0.1380 0.3710 0.3005 0.7245 0.6020 0.3135 0.3642 0.5996 0.6522 0.7462 0.6344 0.7223 0.4191 0.1290 0.1114 0.3319 0.2388 0.6757 0.7500 0.2715 0.7441 0.7443 0.6452 0.7499 0.5943 0.2322 0.1904 0.2698 0.5408 0.3255 0.4334 0.2900 0.6658 0.2697 0.7481 0.6264 0.6798 0.3288 0.2780 0.6950 0.2714 0.2983 0.3182 0.7033 0.6313 0.4534 0.4043 0.4658 0.4414 0.0740 0.5543 0.2215 0.3595 0.7491 0.5053 0.7463 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0.00461 0.00414 0.26245 0.09615 0.08625 22.95 40.06 64.64 78.62 102.85 108.67 145.49 175.44 192.38 225.01 262.76 287.43 307.83 351.42 381.59 411.01 445.54 476.26 504.06 508.18 535.47 542.52 597.20 623.70 645.93 662.52 678.55 709.14 736.54 742.34 750.24 773.28 816.58 820.38 867.36 892.95 919.75 935.86 948.56 974.20 986.14 1046.32 1065.58 1113.52 1128.41 1142.46 1154.92 1165.81 1170.38 1199.47 1220.21 1241.36 1328.42 1332.15 1356.15 1406.97 1410.93 1433.58 1451.80 1455.55 1465.57 1501.81 1503.65 1526.16 1527.83 1533.48 1578.12 1590.79 1608.03 1649.31 1658.79 1681.56 1696.55 1728.76 1733.57 1748.98 1760.30 1772.37 1780.35 1788.94 1817.77 1828.55 1841.99 1853.72 1890.10 1906.88 1945.68 1958.50 1983.44 2011.47 2038.69 2041.48 2051.00 2082.70 2096.46 2101.21 2120.07 2165.52 2193.14 2212.99 2217.55 2253.35 2271.95 2279.73 2283.92 2295.55 2343.35 2363.81 2379.97 2385.20 2392.45 2438.81 2523.60 2555.61 2582.19 2598.56 2606.17 2619.53 2626.08 2658.74 2711.74 4545.78 4649.57 4654.04 4668.25 4674.41 4716.95 4785.65 4788.66 4842.65 4860.32 4874.19 4892.91 4894.84 4907.96 4914.85 5469.72 5493.60 5512.38 5538.38 5667.94 0.425608 0.447039 0.447983 0.373469 -1299.188073 -1299.166642 -1299.165698 -1299.240212 2.499212D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE c1ccc2c(c1)N[C@@H]3N2[C@@H](NC(=[NH+]3)N)C4=C(N=NC4)c5ccc6c(c5)OCCO6 C64186028 RHF 6-31G(d) (6D,10F) C1 390.167848 |X|Y|Z| 94.016713 50.699963 37.260090 56.210684 28 6 7 8 20 6 2 |36.858105| |13.811428|36.858105| |7.876335|13.631978|36.858105| |6.931257|8.036631|13.874233|36.858105| |8.044971|6.952127|7.915539|13.697329|36.858105| |13.642259|7.894311|6.763104|7.907650|13.910176|36.858105| |5.092824|4.592927|5.291063|8.293257|13.378466|7.553591|53.358707| |4.173987|4.166048|5.254735|8.341487|8.419710|5.298958|18.129502|36.858105| |3.829472|3.834367|4.709325|6.724514|6.715901|4.701552|12.280994|17.460488|0.500000| |4.600984|5.073149|7.454762|13.407720|8.453608|5.345432|11.427858|13.220078|0.251285|53.358707| |3.618527|4.136356|5.872599|7.465246|5.272571|3.908717|7.235138|7.946251|0.202359|18.082093|36.858105| |3.488833|3.980333|5.449318|6.490605|4.833222|3.717543|6.548637|6.909307|0.208844|12.333564|17.573456|0.500000| |2.951942|3.201070|4.120803|5.131085|4.252894|3.265443|6.515644|7.259049|0.186361|11.175051|12.706304|0.253019|53.358707| |2.868710|2.982075|3.677349|4.719060|4.300064|3.291566|7.261910|8.043997|0.190889|9.787542|7.586807|0.168280|19.612320|36.858105| |3.263736|3.263737|3.957403|5.440230|5.438535|3.962144|10.791321|13.065888|0.256819|11.057816|6.623890|0.154069|11.349823|14.353957|53.358707| |3.152436|3.070981|3.588118|4.783968|5.108935|3.877839|10.353672|9.020471|0.186665|8.597433|5.083368|0.120570|8.235928|9.451892|25.949015|0.500000| |2.423326|2.496828|2.965956|3.594129|3.381193|2.734944|5.552831|5.285692|0.132947|6.600385|5.153096|0.122397|11.260199|14.362057|11.281619|0.207303|53.358707| |3.383864|4.065519|5.762185|6.046434|4.287317|3.433904|5.504980|5.116669|0.129770|10.601995|12.755810|0.248639|10.657224|5.396275|6.327813|0.109304|5.790488|36.858105| |3.009779|3.660569|4.867640|4.631278|3.478612|2.947303|4.407285|3.896923|0.104447|7.141243|7.469073|0.195113|7.516514|4.070024|4.861508|0.086339|4.674960|14.301296|36.858105| |2.784619|3.385830|4.255920|3.886186|3.038381|2.669018|3.817055|3.206866|0.084181|5.660153|5.118951|0.129513|5.754697|3.389136|4.114676|0.075855|4.085851|8.449845|13.212694|53.358707| |2.894437|3.487717|4.382154|4.073868|3.197292|2.795766|4.021138|3.328872|0.084435|5.954661|5.062146|0.119939|5.854833|3.568326|4.347489|0.081457|4.329002|8.242410|8.660245|21.226470|53.358707| |3.294390|3.923687|5.261940|5.323253|3.990431|3.304095|5.083280|4.360254|0.105600|8.477680|7.181335|0.150101|7.965237|4.742157|5.698957|0.104774|5.453813|12.725532|8.421732|11.741026|17.846521|36.858105| |2.726724|3.257526|4.096495|3.880450|3.058992|2.657151|3.909498|3.423243|0.096938|5.781486|5.792635|0.180403|6.248770|3.488731|4.242183|0.075476|4.090571|7.387749|12.941616|10.400896|7.319947|5.110429|36.858105| |2.509331|2.884686|3.543606|3.558540|2.914329|2.513328|3.866857|3.470091|0.102590|5.506302|5.616003|0.192366|6.598459|3.651286|4.373616|0.076757|4.303895|5.921597|7.590907|6.986208|5.573135|4.170096|13.675018|36.858105| |2.250867|2.544851|2.988283|2.963365|2.524417|2.239199|3.351739|2.908738|0.087429|4.401761|4.100236|0.137641|5.029578|2.980332|3.677336|0.065821|3.615762|4.169943|5.051422|5.352651|4.402058|3.219695|7.908528|13.799163|36.858105| |2.170851|2.475213|2.831205|2.704548|2.320096|2.110584|3.015104|2.531160|0.074860|3.850977|3.415693|0.110078|4.118699|2.517305|3.175028|0.057874|3.084983|3.610502|4.474882|5.110293|4.159892|2.925939|6.838966|7.947396|13.760826|36.858105| |2.306760|2.698808|3.089877|2.836989|2.390246|2.193056|3.033773|2.511458|0.072544|3.939425|3.452220|0.107649|4.026438|2.460362|3.121666|0.057283|3.001327|3.875065|5.091939|6.079374|4.751222|3.198945|7.911835|6.880086|7.931776|13.669762|36.858105| |2.583040|3.108537|3.708445|3.340005|2.709271|2.444981|3.396182|2.843995|0.080444|4.666803|4.216880|0.128359|4.707197|2.798735|3.513010|0.064033|3.361708|5.153711|7.728966|8.900627|6.340538|4.124493|13.688632|7.941610|6.880153|7.930414|13.801879|36.858105| |2.147987|2.497839|2.755647|2.491564|2.143198|2.013001|2.701584|2.180713|0.062510|3.375230|2.836296|0.086138|3.358762|2.112460|2.719611|0.050653|2.609469|3.162593|3.958966|5.116668|4.150668|2.753394|5.251201|4.625988|5.227911|7.967155|14.117356|8.112241|73.516695| |1.968991|2.238207|2.416604|2.221176|1.957081|1.856763|2.488875|1.992149|0.057776|3.002509|2.478593|0.075869|2.994510|1.916770|2.491115|0.046616|2.385146|2.654887|3.161363|4.037234|3.409517|2.327075|4.033288|3.885694|4.676293|7.061591|8.177465|5.305994|24.012733|36.858105| |1.812143|2.027074|2.209922|2.089343|1.855986|1.742576|2.408311|1.950098|0.057074|2.893134|2.421312|0.074639|3.006413|1.924779|2.475304|0.046206|2.419165|2.548819|3.002038|3.766271|3.202494|2.216081|3.873278|4.042161|5.298831|8.175655|7.056192|4.680112|14.170532|12.593437|36.858105| |1.941764|2.171265|2.413544|2.319397|2.045410|1.890575|2.676694|2.208114|0.065599|3.267443|2.798009|0.088738|3.470222|2.187390|2.793032|0.051508|2.723815|2.885433|3.400373|4.059734|3.429385|2.425252|4.611932|5.269919|8.104869|14.160316|7.972717|5.233507|12.108252|7.966497|13.482137|73.516695| |17.738526|8.948574|5.622411|4.983884|5.699799|8.908349|5.585976|3.417745|0.088921|4.974953|3.008489|0.081472|3.445164|2.478036|3.792611|0.075783|2.915134|2.863139|2.613046|3.354990|3.472857|2.821914|2.409733|2.229681|2.036562|1.989208|2.113775|2.328398|3.559717|1.855595|1.702728|3.207451|0.500000| |8.949649|17.737856|8.920163|5.698607|4.994624|5.629664|4.967083|3.409989|0.089067|5.558025|3.565567|0.096750|3.840418|2.610246|3.792448|0.073207|3.039818|3.667261|3.471917|4.524406|4.597127|3.595991|3.151108|2.747060|2.463541|2.456532|2.733114|3.130167|4.603702|2.313617|2.057304|3.853287|0.216067|0.500000| |5.625708|8.870468|17.765623|8.881866|5.620259|4.898505|5.838360|4.554838|0.116598|8.929661|6.101956|0.158714|5.676866|3.559672|4.943452|0.090663|3.959954|6.896403|6.187770|7.331892|7.283073|6.112031|5.002338|4.037763|3.328229|3.190089|3.606258|4.554445|5.644400|2.699322|2.434881|4.718914|0.123996|0.215286|0.500000| |8.835242|5.620731|4.895296|5.623324|8.921990|17.725243|9.159511|4.618836|0.116566|5.913292|3.317593|0.088456|3.952810|3.004644|4.966230|0.102315|3.482235|2.921429|2.544579|3.169849|3.316974|2.836778|2.328455|2.237063|2.023149|1.910205|1.965652|2.157242|3.233772|1.697751|1.604634|3.082854|0.213760|0.123801|0.106608|0.500000| |4.638523|4.036701|4.389986|6.128419|9.308273|6.847478|25.940230|9.310870|0.228531|8.262250|4.384768|0.116283|5.573262|4.586423|8.958005|0.181587|5.006285|3.415590|2.841337|3.371016|3.500571|3.139248|2.599892|2.618162|2.322685|2.096976|2.086691|2.290673|3.327717|1.747690|1.699376|3.356030|0.108369|0.091510|0.101287|0.190939|0.500000| |2.604002|2.842407|3.573396|4.170244|3.505002|2.811202|5.209783|5.272716|0.142023|8.039112|8.944106|0.208413|25.991071|9.549533|8.173146|0.132976|10.427774|7.302455|5.705916|5.980777|5.930070|5.558839|4.854625|5.302575|3.967270|3.182671|3.075114|3.586961|4.515698|2.255799|2.298188|4.739776|0.063077|0.071282|0.103608|0.070238|0.093886|0.500000| |2.232393|2.330986|2.761611|3.232078|2.980122|2.462608|4.680688|4.327647|0.111747|5.763148|4.763917|0.114725|10.175532|9.359870|8.081329|0.150498|26.034638|4.212491|3.501226|4.222834|4.455463|4.014502|3.068162|3.238426|2.713287|2.307922|2.242155|2.513293|3.457989|1.771434|1.809137|3.616770|0.055218|0.058745|0.076925|0.063856|0.086709|0.226617|0.500000| |2.305343|2.328536|2.699035|3.257167|3.192161|2.628610|5.357441|4.807236|0.122042|5.703978|4.209692|0.103342|8.110343|9.407864|10.272257|0.215755|26.020673|3.529858|2.927180|3.550185|3.761894|3.393143|2.611034|2.744003|2.367251|2.047338|1.988925|2.197253|3.112801|1.616387|1.639830|3.260304|0.057139|0.057953|0.072555|0.069659|0.101451|0.153136|0.310885|0.500000| |2.922570|3.326620|4.228281|4.510629|3.621641|3.008829|4.859163|4.182099|0.100429|7.502860|6.228910|0.131228|8.231909|5.158807|5.912707|0.110854|6.237341|8.702874|6.305555|8.852138|12.539979|17.537453|4.291903|3.736815|2.943995|2.649136|2.824437|3.501714|4.362303|2.110338|2.044160|3.972648|0.070584|0.084730|0.128053|0.073521|0.084028|0.164790|0.130949|0.106061|0.500000| |3.832750|4.633382|6.282494|6.188230|4.569102|3.800750|5.555078|4.500086|0.105705|8.901089|6.309994|0.135021|6.843838|4.391919|5.671427|0.107104|5.020083|8.731281|6.288259|8.844069|12.528044|17.566916|4.284294|3.567785|2.861748|2.651373|2.907283|3.654794|4.557425|2.192974|2.063844|3.975214|0.089787|0.115764|0.194686|0.088973|0.093509|0.126443|0.099408|0.089405|0.302586|0.500000| |2.492747|2.809992|3.478211|3.672941|3.035345|2.561301|4.165264|3.884400|0.116025|6.032471|6.524370|0.226068|8.353038|4.385675|5.038054|0.086548|5.115438|6.244563|6.930533|6.424764|5.433895|4.308139|8.854826|17.722397|8.998235|5.668458|4.957141|5.635157|6.522706|3.203672|3.368225|7.584146|0.061196|0.072912|0.106654|0.063636|0.078125|0.196945|0.107562|0.088677|0.110999|0.101159|0.500000| |2.091470|2.314401|2.676401|2.713517|2.371838|2.108788|3.212728|2.786882|0.085133|4.063968|3.702908|0.123644|4.769429|2.896376|3.579191|0.064223|3.567487|3.599093|4.095388|4.480456|3.825410|2.849865|5.619934|8.879132|17.741496|8.997626|5.660536|4.958211|7.519352|4.062679|4.849658|13.254785|0.052875|0.061880|0.080604|0.053568|0.062682|0.104922|0.074391|0.065477|0.074083|0.071099|0.215575|0.500000| |2.634523|3.225399|3.785786|3.284798|2.664163|2.442805|3.284378|2.688744|0.074554|4.454249|3.859128|0.112234|4.306846|2.617173|3.322148|0.061361|3.163775|4.881777|7.106926|9.853238|6.912624|4.214992|8.851897|5.633374|4.959085|5.663626|9.020584|17.753975|13.292499|4.856847|4.072380|7.530589|0.066369|0.092585|0.132426|0.059710|0.061279|0.089967|0.065575|0.057801|0.097824|0.105902|0.123492|0.107677|0.500000| 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