Version2.0 2020-02-29T04:09:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(=O)n([nH]1)c2ccccc2)[C@H](c3cccc(c3)[N+](=O)[O-])[C@H]4C(=NN(C4=O)c5ccccc5)C C17123782 RHF 6-31G(d) (6D,7F) Cc1c(c(=O)n([nH]1)c2ccccc2)[C@H](c3cccc(c3)[N+](=O)[O-])[C@H]4C(=NN(C4=O)c5ccccc5)C C01[X(C27H23N5O4)] 171 C1 586 CC1=NN(C(=O)[C@H]1[C@H](c1c(C)[nH]n(c1=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1 CC1=NN(C(=O)[C@H]1[C@H](c1c(C)[nH]n(c1=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1 CC1=C([C@@H]([C@H]2C(=NN(C2=O)c3ccccc3)C)c4cccc(c4)[N+]([O-])=O)C(=O)N(N1)c5ccccc5 InChIKey=IPWVAQVNAODWKD-ILBGXUMGSA-N InChI=1S/C27H23N5O4/c1-17-23(26(33)30(28-17)20-11-5-3-6-12-20)25(19-10-9-15-22(16-19)32(35)36)24-18(2)29-31(27(24)34)21-13-7-4-8-14-21/h3-16,23,25,29H,1-2H3/t23-,25-/m1/s1 InChI=1/C27H23N5O4/c1-17-23(26(33)30(28-17)20-11-5-3-6-12-20)25(19-10-9-15-22(16-19)32(35)36)24-18(2)29-31(27(24)34)21-13-7-4-8-14-21/h3-16,23,25,29H,1-2H3/t23-,25-/m1/s1 Cc1c(c(=O)n([nH]1)c2ccccc2)[C@H](c3cccc(c3)[N+](=O)[O-])[C@H]4C(=NN(C4=O)c5ccccc5)C C01[X(C27H23N5O4)] 171 C01 586 CC1=NN(C(=O)[C@H]1[C@H](c1c(C)[nH]n(c1=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1 ON(c1cccc(c1)[C@@H](c1c(C)[nH]n(c1=O)c1ccccc1)[C@H]1C(=NN(C1=O)c1ccccc1)C)O CC1=C([C@@H]([C@H]2C(=NN(C2=O)c3ccccc3)C)c4cccc(c4)N(O)O)C(=O)N(N1)c5ccccc5 InChIKey=ZVIHEFIKMQRHQJ-ILBGXUMGSA-N InChI=1S/C27H25N5O4/c1-17-23(26(33)30(28-17)20-11-5-3-6-12-20)25(19-10-9-15-22(16-19)32(35)36)24-18(2)29-31(27(24)34)21-13-7-4-8-14-21/h3-16,23,25,29,35-36H,1-2H3/t23-,25-/m1/s1 InChI=1/C27H25N5O4/c1-17-23(26(33)30(28-17)20-11-5-3-6-12-20)25(19-10-9-15-22(16-19)32(35)36)24-18(2)29-31(27(24)34)21-13-7-4-8-14-21/h3-16,23,25,29,35-36H,1-2H3/t23-,25-/m1/s1 3724.8789651940 -1607.3885652 1-A 19317.0494 126 460 586 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70.4133 4.4781 4.9659 120.6302 110.2322 72.8579 79.8937 326.2391 34.8463 402.3894 392.2951 16.6367 22.5415 13.7909 3.7593 11.6982 10.9090 16.6307 17.2321 0.3524 0.2596 27.8070 22.0888 11.7598 43.5398 41.7389 3.0708 4.2116 1.5475 2.0107 2.1159 1.0624 0.7585 20.0212 3.4703 1.5429 7.8446 4.8960 2.4119 4.1602 5.2186 2.1939 0.3731 2.6359 2.4783 0.4296 0.5437 1.6878 0.8876 1.2918 3.1488 1.5585 1.6668 2.6483 1.6131 2.3355 3.4401 2.2762 3.1379 0.8604 0.5906 2.5759 2.0728 0.7276 3.0219 1.4107 1.4941 0.9853 2.0545 0.3143 0.3929 1.3461 0.5574 1.3216 2.0013 0.5400 1.8921 6.7137 1.2115 10.1906 4.7247 1.8882 5.3928 6.3758 2.6814 2.3990 2.0119 0.6918 4.6823 0.6118 1.3830 1.6597 2.5789 4.7270 0.0913 1.8992 0.5905 4.7897 3.7620 16.1380 3.4144 7.3774 3.9533 3.2151 2.1570 5.9391 3.1145 2.4110 1.6063 2.5120 1.3403 52.2203 0.2214 59.9101 9.9464 5.9342 0.2962 0.4125 4.1270 1.9032 0.9975 11.3922 18.6100 2.7127 1.7687 2.7216 1.5212 9.7434 0.4741 0.8033 3.4691 11.1707 7.3378 3.2721 4.4747 18.3193 30.5610 3.9891 4.5733 7.3970 3.5722 11.0073 12.5062 2.4377 6.5028 7.0227 3.4027 3.9857 7.8346 9.1111 29.3030 13.0652 7.1999 1.3790 40.7379 37.7156 26.7144 11.3918 29.7532 6.7969 5.2523 17.4281 23.6031 10.9286 13.6055 2.4219 12.2434 106.6532 18.4152 6.7092 18.8151 40.3039 5.8829 6.3448 25.4464 118.5219 109.3328 44.8454 0.9904 106.9216 11.9204 18.6548 145.9239 129.0091 40.8272 26.6365 82.7502 72.0488 77.0946 41.8097 57.2489 53.0241 110.8845 112.3776 85.3392 233.8554 208.9427 77.1409 66.5793 26.6284 59.3393 69.7633 108.4929 43.5107 161.8190 0.7500 0.7433 0.7420 0.7416 0.7497 0.7237 0.7488 0.7500 0.7493 0.7297 0.7244 0.5026 0.7416 0.4965 0.5922 0.5908 0.6642 0.5869 0.3464 0.6667 0.6639 0.7478 0.6451 0.6382 0.6260 0.3492 0.7217 0.4559 0.1933 0.3446 0.4724 0.7128 0.7494 0.6888 0.3679 0.7287 0.7499 0.7393 0.5507 0.6783 0.6338 0.6937 0.4744 0.2352 0.7467 0.0853 0.4088 0.2918 0.7296 0.7456 0.6735 0.5692 0.3964 0.4158 0.2909 0.7179 0.6864 0.7088 0.4792 0.7048 0.6893 0.6942 0.6952 0.1605 0.7139 0.1525 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0.7102 0.8083 0.7759 0.8191 0.6435 0.3808 0.8550 0.1572 0.5804 0.4518 0.8437 0.8542 0.8049 0.7255 0.5677 0.5874 0.4507 0.8358 0.8140 0.8296 0.6479 0.8269 0.8161 0.8195 0.8202 0.2767 0.8331 0.2647 0.8216 0.2376 0.7916 0.7979 0.8373 0.8480 0.6929 0.7785 0.8560 0.8570 0.7577 0.2517 0.8563 0.2317 0.3813 0.3942 0.8341 0.5657 0.6692 0.6178 0.8358 0.2709 0.3112 0.1161 0.7073 0.7809 0.8571 0.4340 0.6627 0.7473 0.7710 0.7275 0.8492 0.8470 0.8506 0.3312 0.3995 0.5046 0.5068 0.7365 0.8541 0.3673 0.2339 0.6888 0.8559 0.8461 0.7669 0.8266 0.7889 0.4044 0.2092 0.8214 0.6074 0.5736 0.6930 0.6387 0.4610 0.6057 0.3899 0.8496 0.6189 0.8564 0.8422 0.5897 0.7162 0.6006 0.8086 0.3502 0.3180 0.6680 0.4019 0.7148 0.7806 0.8214 0.8544 0.8560 0.4291 0.1492 0.8481 0.3932 0.5755 0.8196 0.1260 0.0592 0.2224 0.3272 0.8440 0.7390 0.8441 0.8319 0.7701 0.8091 0.8560 0.8567 0.6665 0.2785 0.2702 0.2508 0.2682 0.3814 0.2953 0.3027 0.3972 0.3362 0.4539 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 57 58 59 6 6 6 6 8 7 7 1 6 6 6 6 6 6 6 1 6 6 6 6 6 6 7 8 8 6 1 6 7 7 6 8 6 6 6 6 6 6 6 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 15.99491 14.00307 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 1.00783 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 18575.1615 19256.7355 33008.9343 0.96900 -0.24695 -0.00730 0.24691 0.96902 -0.00621 0.00861 0.00422 0.99995 1 0.00466 0.00450 0.00262 0.09716 0.09372 0.05467 17.41 24.38 30.02 36.45 45.14 55.30 60.86 72.21 92.40 101.68 118.08 126.12 140.60 179.18 190.06 224.50 243.67 259.94 282.58 286.09 313.15 364.61 377.32 381.70 424.87 448.70 457.95 478.09 507.73 519.80 577.49 589.43 606.25 619.77 638.47 657.59 658.31 681.42 691.69 800.60 811.10 833.60 845.66 865.14 889.21 907.56 920.62 942.82 971.56 974.46 983.29 1024.17 1051.04 1058.88 1086.47 1104.20 1107.34 1113.63 1161.23 1192.12 1227.86 1231.54 1235.92 1241.33 1275.89 1295.88 1333.13 1352.49 1359.81 1369.65 1371.82 1428.27 1481.63 1490.12 1491.40 1505.99 1535.88 1566.46 1567.15 1569.41 1569.71 1576.16 1583.96 1591.02 1613.72 1614.32 1615.85 1618.23 1633.52 1641.15 1650.22 1656.08 1675.27 1700.74 1708.55 1713.90 1733.45 1746.20 1748.54 1758.21 1761.36 1806.21 1821.79 1871.33 1882.45 1893.35 1900.67 1909.25 1913.53 1927.47 1943.07 1953.17 1963.52 1988.13 2067.99 2084.87 2094.40 2126.63 2131.68 2141.50 2169.61 2201.12 2212.18 2268.49 2279.28 2315.10 2319.44 2333.89 2339.51 2339.92 2340.78 2342.40 2354.47 2360.78 2389.92 2409.85 2413.88 2557.55 2571.43 2575.96 2591.52 2598.77 2600.58 2678.95 2686.70 2750.56 2759.38 2847.15 4629.12 4639.56 4660.58 4702.51 4714.02 4731.95 4773.10 4782.20 4831.34 4835.10 4847.91 4852.31 4870.61 4872.01 4874.05 4907.63 4911.59 4926.08 4929.61 4930.81 4949.37 4968.60 5393.86 0.496606 0.525500 0.526445 0.431120 -1606.891959 -1606.863065 -1606.862121 -1606.957445 3.197183D-04 MUNgauss RevisionA2.0 retrievium 29-Feb-2020 DUDE Cc1c(c(=O)n([nH]1)c2ccccc2)[C@H](c3cccc(c3)[N+](=O)[O-])[C@H]4C(=NN(C4=O)c5ccccc5)C C17123782 RHF 6-31G(d) (6D,10F) C1 481.175004 |X|Y|Z| 95.110974 93.556079 38.964139 70.251550 29 6 7 25 4 |36.858105| |12.743985|36.858105| |7.374780|14.268813|36.858105| |5.102103|8.459372|12.990222|36.858105| |3.901950|5.561644|7.888326|15.797244|73.516695| |5.248145|8.556960|8.418270|13.878752|14.777785|53.358707| |7.732854|13.706553|8.483060|8.420838|9.898790|18.586641|53.358707| |7.031976|9.429508|6.344255|6.320349|8.196344|13.071853|25.853046|0.500000| |3.926067|5.372480|5.260979|7.664482|11.558078|18.285381|10.716163|0.191809|36.858105| |3.690091|4.643819|4.253748|5.306316|8.188085|10.646387|9.167669|0.172201|13.732307|36.858105| |2.918014|3.472604|3.281743|3.981551|6.619530|7.011027|6.177506|0.122133|7.949465|13.749146|36.858105| |2.556559|3.044275|2.995100|3.717731|6.541822|6.185466|5.170872|0.103092|6.866989|7.921197|13.766800|36.858105| |2.634444|3.229386|3.296142|4.317679|7.936911|7.033278|5.415785|0.107009|7.955342|6.879644|7.964851|13.743695|36.858105| |3.157620|4.099947|4.279276|6.182436|11.187641|10.708200|7.098497|0.136042|13.717809|7.914256|6.874534|7.917542|13.773301|36.858105| |5.807089|7.412415|12.596945|7.239656|10.960862|6.971748|6.967977|0.119168|3.792901|3.226306|2.645221|2.474093|2.707284|3.336972|36.858105| |6.660155|7.112948|9.042884|5.487439|8.268123|5.961418|6.465399|0.113278|3.347956|2.970571|2.455820|2.268577|2.426991|2.916483|17.575560|0.500000| |4.573661|5.410716|7.599462|5.729960|9.566048|5.840179|5.643213|0.103568|3.316516|2.792662|2.357732|2.267003|2.524268|3.081312|12.461402|0.250682|36.858105| |3.644063|4.422107|6.015054|5.617350|10.605603|5.678781|5.094657|0.095100|3.348954|2.749684|2.363532|2.337163|2.675378|3.280803|7.433848|0.155429|13.653734|36.858105| |3.046896|3.495028|4.297893|4.125793|7.754262|4.569343|4.183961|0.081060|2.825021|2.369901|2.088298|2.092569|2.387755|2.840487|4.968608|0.116843|7.876785|13.761175|36.858105| |2.968939|3.221768|3.754715|3.427079|6.135531|3.970281|3.806657|0.075095|2.469956|2.128229|1.884658|1.869765|2.090093|2.440293|4.392148|0.111455|6.781815|7.915810|13.758783|36.858105| |3.422055|3.565398|4.085835|3.470401|5.944056|4.041203|4.034773|0.079340|2.465168|2.153666|1.886061|1.837663|2.021360|2.362915|5.024751|0.135556|7.951873|6.960802|8.045789|13.808606|36.858105| |4.341017|4.555333|5.446120|4.208452|6.942407|4.733768|4.820610|0.092166|2.783397|2.422017|2.077825|1.992963|2.182134|2.591714|7.577352|0.209933|13.750448|7.973671|6.884113|7.867794|13.756415|36.858105| |3.054295|3.017301|3.266833|2.805691|4.770513|3.404493|3.481115|0.069690|2.125880|1.901954|1.685631|1.637660|1.775198|2.034185|3.842099|0.109833|5.119306|4.540613|5.141999|7.787508|13.058962|7.787149|53.358707| |2.596890|2.589368|2.782789|2.479382|4.286347|3.049530|3.080005|0.062207|1.943901|1.745569|1.566723|1.536186|1.666988|1.888534|3.167717|0.088750|4.081827|3.910471|4.682150|7.090452|8.378955|5.425311|21.731187|73.516695| |3.244701|3.063563|3.222645|2.699935|4.506176|3.320155|3.485560|0.069825|2.070122|1.878889|1.660518|1.595844|1.709177|1.950476|3.791969|0.114370|4.682431|3.918301|4.103899|5.425874|8.373107|7.098196|21.706912|16.020656|73.516695| |4.267700|5.198749|7.514975|6.099778|10.777639|5.964599|5.642379|0.096684|3.522583|3.061155|2.573398|2.430906|2.647392|3.182456|12.224151|0.247714|7.369502|5.984755|4.248700|3.673231|3.952351|5.211632|4.305141|4.821066|5.523355|36.858105| |3.756391|4.754034|6.922218|6.803399|13.946995|6.309287|5.537678|0.095121|3.811245|3.215753|2.723124|2.623909|2.923202|3.554322|8.779633|0.174631|6.602141|6.363053|4.437597|3.632825|3.693391|4.581966|3.996938|4.581585|5.005448|17.571521|0.500000| |3.435391|3.814229|4.851192|4.140167|7.534473|4.431668|4.290151|0.076764|2.756189|2.467974|2.145738|2.051087|2.210466|2.564354|7.260443|0.187153|6.018183|5.066528|3.961676|3.583609|3.890685|4.909178|4.364231|4.913007|5.631195|12.589099|0.246480|36.858105| |3.197322|3.421712|4.078702|3.539409|6.333190|3.974406|3.930710|0.070610|2.535668|2.339195|2.054331|1.946890|2.058354|2.341359|5.440232|0.153406|4.430935|3.811800|3.142040|2.925082|3.184766|3.885031|3.758252|4.292826|4.970379|8.255998|0.176970|15.124210|53.358707| |3.551636|3.831410|4.465294|3.866734|6.715498|4.405997|4.421741|0.077744|2.813189|2.641131|2.291221|2.129900|2.220159|2.528703|5.486545|0.156512|4.082666|3.502560|2.855563|2.640191|2.869106|3.524135|3.409303|3.905383|4.549215|8.261237|0.176923|8.800883|18.731672|53.358707| |4.323691|5.051251|6.295315|5.302033|8.907046|5.733864|5.676986|0.095709|3.513534|3.218810|2.698773|2.480933|2.612752|3.068383|7.476148|0.195816|4.857757|4.105808|3.189146|2.869220|3.101668|3.916474|3.582775|4.075060|4.728265|12.476192|0.248466|8.179796|11.362177|18.996383|36.858105| |4.689001|5.648498|6.481409|5.738699|9.116709|6.592401|6.660851|0.108485|4.071929|3.838692|3.133567|2.793691|2.885022|3.396581|6.228306|0.164711|4.193499|3.642075|2.883057|2.600047|2.787036|3.447967|3.265871|3.749443|4.323364|7.798439|0.189085|5.437353|7.547925|11.305815|15.942916|73.516695| |3.112079|3.219709|3.513864|3.137244|5.421187|3.773813|3.855827|0.069056|2.492130|2.420561|2.141284|1.978266|2.019379|2.243810|3.993886|0.117026|3.163031|2.781822|2.358159|2.221171|2.404072|2.856958|2.949910|3.428058|3.980184|5.143289|0.122032|5.477196|10.759217|18.316842|7.591064|11.363074|36.858105| |2.700229|2.713372|2.919236|2.611245|4.543611|3.181892|3.264177|0.059794|2.119286|2.062499|1.853099|1.728989|1.764033|1.938340|3.359010|0.100101|2.816878|2.493218|2.174053|2.089512|2.270689|2.642408|2.849807|3.333996|3.877451|4.095059|0.098785|4.743868|9.325126|10.716811|5.134659|7.839416|13.697392|36.858105| |2.378145|2.358426|2.471899|2.253877|3.917580|2.818318|2.905547|0.053896|1.913799|1.895287|1.727939|1.610490|1.623523|1.756927|2.737327|0.081112|2.350303|2.115430|1.878580|1.817445|1.960669|2.235293|2.501180|2.961621|3.410832|3.190396|0.079644|3.530304|6.238016|7.031180|3.894748|6.392088|7.935006|13.770978|36.858105| |2.336062|2.323796|2.394382|2.219668|3.840777|2.827944|2.923925|0.054222|1.950078|1.966953|1.805279|1.668842|1.660303|1.780128|2.556365|0.074927|2.178597|1.979203|1.755913|1.688038|1.807505|2.054140|2.302208|2.738039|3.128659|2.940517|0.074856|3.080000|5.183041|6.174738|3.678939|6.409456|6.843144|7.917010|13.757348|36.858105| |2.589046|2.619988|2.692984|2.517541|4.330242|3.219914|3.327080|0.060852|2.228637|2.269503|2.067744|1.889053|1.867556|2.007869|2.808018|0.081382|2.329472|2.116216|1.849997|1.756476|1.874166|2.152177|2.355888|2.791435|3.184547|3.269040|0.083669|3.261755|5.407232|7.004199|4.338490|7.960679|7.945715|6.893251|7.984835|13.766661|36.858105| |3.022760|3.138245|3.307343|3.053179|5.233921|3.804203|3.905714|0.069841|2.578810|2.580535|2.298180|2.093024|2.094946|2.296731|3.492302|0.100553|2.780453|2.494523|2.129774|1.997488|2.137876|2.506358|2.638098|3.094286|3.550728|4.266489|0.106893|4.141099|7.056567|10.611885|6.317535|11.534219|13.698779|7.916310|6.875365|7.901937|13.753523|36.858105| |2.920518|3.184098|3.936768|3.492330|6.520826|3.824754|3.669503|0.067569|2.420702|2.158595|1.910275|1.858085|2.019528|2.318068|5.561440|0.143675|5.817511|5.314133|4.476445|4.116889|4.355080|5.102267|4.847948|5.523531|6.053278|7.052798|0.174681|12.713399|10.840966|7.220141|5.006321|6.832772|3.973568|3.763162|2.968203|2.585498|2.654558|3.174265|36.858105| |17.548629|8.917862|5.726569|4.426634|6.177195|6.560030|9.613776|0.209641|3.745083|3.562994|2.859693|2.511786|2.575788|3.052373|4.602165|0.140135|3.986104|3.312238|2.872591|2.842909|3.245413|3.922993|4.042640|4.551709|5.608778|3.504353|0.088568|2.917778|3.701723|4.022236|3.484551|6.662231|2.646286|2.347502|2.106330|2.078877|2.278793|2.594605|2.570675|0.500000| |17.567213|8.980511|5.961384|4.484544|6.292928|6.405600|9.228034|0.168131|3.733069|3.697961|2.943585|2.529202|2.543570|2.979879|4.930935|0.157728|3.829178|3.140733|2.655228|2.580329|2.929999|3.625619|3.626247|4.089812|5.055154|3.992052|0.097505|3.274653|4.312444|4.967461|4.374327|8.832149|3.315090|2.849659|2.540283|2.538147|2.851851|3.314324|2.739452|0.301527|0.500000| |17.633610|8.889677|6.827607|4.576998|6.510190|5.946750|7.686364|0.144645|3.354154|3.114278|2.541055|2.278896|2.370663|2.812750|6.426093|0.232492|5.148392|3.864626|3.242115|3.247245|3.917467|5.200180|4.792175|5.171318|6.855176|4.511821|0.106260|3.757845|4.718913|5.086226|4.405570|7.944567|3.228763|2.854055|2.479536|2.381872|2.588924|3.023897|3.215639|0.302052|0.300639|0.500000| |4.174048|5.098505|4.377251|5.020515|7.441932|9.754848|10.298292|0.189595|8.922240|17.761171|8.903276|5.639681|4.959050|5.640444|3.306133|0.086757|2.793020|2.668200|2.292948|2.090611|2.154264|2.452286|2.610689|3.108080|3.411139|3.105715|0.087967|2.505811|3.274426|3.760255|3.370726|7.348044|2.561265|2.170868|2.001122|2.091751|2.433416|2.765631|2.164247|0.111248|0.120808|0.095057|0.500000| |2.719193|3.112549|2.900050|3.358106|5.577001|5.684151|5.364831|0.107407|5.657011|8.946660|17.716537|8.915477|5.654070|4.952756|2.392574|0.062799|2.131998|2.114556|1.885041|1.723086|1.735932|1.907392|2.136584|2.599293|2.768138|2.341123|0.067836|1.985801|2.623324|2.936635|2.495997|5.155720|2.055291|1.790434|1.689913|1.783270|2.043558|2.234179|1.769765|0.074441|0.077754|0.066019|0.215464|0.500000| |2.244164|2.602043|2.564340|3.083311|5.494392|4.923025|4.276623|0.086128|4.949167|5.637400|8.909889|17.721078|8.902061|5.636997|2.176305|0.055956|2.015617|2.081309|1.890863|1.703141|1.670169|1.794013|2.044992|2.522249|2.604841|2.156831|0.064366|1.856339|2.416785|2.627797|2.206288|4.365883|1.815037|1.602791|1.506593|1.566116|1.761696|1.924982|1.697253|0.061545|0.062033|0.056219|0.124017|0.214570|0.500000| |2.339108|2.813056|2.916743|3.728580|7.106357|5.703683|4.526100|0.090233|5.659347|4.955524|5.655724|8.910638|17.718091|8.956968|2.474784|0.061676|2.362149|2.550457|2.322045|2.028033|1.934805|2.056453|2.319860|2.871980|2.898137|2.441209|0.075300|2.078476|2.630142|2.795076|2.376395|4.564778|1.872087|1.653009|1.525467|1.553363|1.730652|1.927274|1.931266|0.063738|0.062512|0.059466|0.107629|0.124174|0.214516|0.500000| |3.089174|4.029236|4.428491|6.577842|13.117600|9.852987|6.531402|0.125427|8.926920|5.644154|4.957721|5.637054|8.907040|17.780244|3.526914|0.083754|3.378117|3.758375|3.254805|2.720057|2.575332|2.795231|2.969399|3.611115|3.664874|3.340081|0.105926|2.692379|3.278554|3.465709|3.081904|5.863405|2.224463|1.933772|1.739118|1.741116|1.944417|2.232251|2.475693|0.082747|0.079319|0.078107|0.124264|0.107604|0.123986|0.215454|0.500000| |3.480177|4.405298|6.171529|6.631492|14.392582|6.309632|5.306285|0.097225|3.764504|3.007614|2.583238|2.585894|3.024345|3.779971|6.886043|0.139790|8.904988|17.751955|8.950764|5.648276|5.000483|5.664663|4.921721|5.718626|5.725752|6.278252|0.211878|4.992941|5.178227|4.881782|4.322518|6.915457|2.838685|2.499009|2.124970|2.009195|2.174942|2.582393|4.974065|0.087519|0.085019|0.098856|0.079502|0.063377|0.063470|0.080185|0.123836|0.500000| |2.672014|3.070926|3.696189|3.760650|7.344621|4.259789|3.819544|0.074565|2.724036|2.283125|2.044767|2.084914|2.405609|2.826325|4.059511|0.096481|5.624076|8.937134|17.732940|8.940481|5.694371|4.959050|5.669901|7.155574|6.053632|3.681331|0.110532|3.458812|3.832776|3.512979|2.859648|4.662407|2.165914|2.003002|1.749355|1.645656|1.733543|1.979341|3.901351|0.070752|0.065756|0.077367|0.060568|0.051171|0.052650|0.066118|0.091411|0.216479|0.500000| |2.584287|2.757833|3.117663|2.915150|5.251781|3.476095|3.341166|0.066766|2.216329|1.932072|1.734894|1.732895|1.930001|2.215291|3.522703|0.091369|4.910209|5.626565|8.858812|17.789614|8.936493|5.625457|9.776057|14.163741|8.826892|3.058990|0.084698|3.036195|3.475060|3.150105|2.476028|4.034586|1.987240|1.891291|1.665868|1.551071|1.603762|1.801066|3.498983|0.069852|0.063282|0.077705|0.052602|0.044294|0.044223|0.052520|0.068329|0.123994|0.213485|0.500000| |4.772612|4.599789|5.138314|3.839971|6.175017|4.470566|4.755365|0.091197|2.642971|2.354473|2.017764|1.910638|2.057260|2.417163|7.006866|0.232819|8.874568|5.646290|4.963065|5.641172|8.973314|17.776182|9.868151|8.885133|14.348950|4.896500|0.114769|4.722602|5.347778|4.919646|3.930803|6.184250|2.976837|2.782370|2.353656|2.151365|2.239785|2.597021|4.680555|0.118305|0.110859|0.171354|0.067395|0.051977|0.047921|0.053550|0.070915|0.123984|0.107716|0.124535|0.500000| |2.635713|2.640524|2.877641|2.550747|4.466663|3.074256|3.140726|0.057903|2.031682|1.952513|1.754727|1.650978|1.699837|1.874809|3.426063|0.102748|2.951198|2.599250|2.284159|2.216454|2.424105|2.812153|3.054300|3.564377|4.163020|4.159416|0.099273|5.231456|10.657545|9.857808|4.801946|7.062194|8.917625|17.785263|8.924342|5.642361|4.967830|5.642370|4.292234|0.063955|0.075691|0.078889|0.056657|0.046859|0.042531|0.044497|0.052508|0.071350|0.058149|0.055712|0.082487|0.500000| |2.160682|2.125459|2.220326|2.029601|3.540146|2.548383|2.625710|0.049216|1.735904|1.716352|1.575704|1.477829|1.491710|1.606886|2.465240|0.073120|2.171339|1.965803|1.771532|1.730818|1.866409|2.098812|2.411314|2.873186|3.297126|2.815090|0.070840|3.164655|5.430836|5.707256|3.278845|5.373941|5.652384|8.962881|17.713215|8.911278|5.661960|4.952961|2.772961|0.053813|0.063546|0.062980|0.050113|0.042876|0.038591|0.039159|0.044357|0.054457|0.045956|0.044405|0.061493|0.216245|0.500000| |2.105565|2.081234|2.122711|1.986050|3.441347|2.561807|2.650712|0.049673|1.785334|1.814378|1.684319|1.560924|1.543875|1.639279|2.239792|0.065437|1.942975|1.780630|1.598056|1.543703|1.646406|1.848538|2.116010|2.534576|2.876457|2.522614|0.065059|2.628973|4.285981|4.916185|3.055079|5.394419|4.936727|5.634763|8.898409|17.720534|8.901269|5.628512|2.268355|0.052776|0.063484|0.059395|0.053524|0.046565|0.040987|0.040276|0.044445|0.050143|0.041831|0.039689|0.053722|0.124066|0.214228|0.500000| |2.462154|2.495757|2.524556|2.403867|4.127851|3.139692|3.246235|0.059711|2.214505|2.299485|2.120333|1.924938|1.876508|1.992865|2.558604|0.073457|2.141900|1.966714|1.729134|1.639427|1.738100|1.979419|2.190919|2.610454|2.953897|2.912569|0.076057|2.834854|4.513157|5.680705|3.774324|7.233295|5.658563|4.962261|5.662736|8.918808|17.713580|8.966989|2.351863|0.060914|0.075878|0.067251|0.068808|0.058940|0.050146|0.048204|0.053053|0.056434|0.045294|0.041772|0.056969|0.107772|0.124233|0.214415|0.500000| |3.246969|3.475955|3.651562|3.446950|5.864164|4.329386|4.415182|0.077598|2.955903|2.987324|2.630636|2.363879|2.351774|2.589241|3.685849|0.103547|2.875540|2.598952|2.193695|2.032172|2.159479|2.540541|2.637805|3.094341|3.526294|4.486238|0.115219|4.037902|6.442611|9.687803|6.951722|14.788398|8.904106|5.640072|4.960978|5.640891|8.928114|17.816707|3.082047|0.076953|0.099631|0.087743|0.089573|0.070823|0.059857|0.059393|0.069010|0.075909|0.056786|0.050728|0.072364|0.124132|0.107655|0.124089|0.216643|0.500000| |3.047501|3.251943|3.967535|3.409012|6.189516|3.776805|3.685501|0.068685|2.361788|2.102973|1.854902|1.800267|1.956588|2.253324|5.728609|0.153798|6.712558|5.761941|5.034987|4.928511|5.514363|6.500090|6.013308|6.637437|7.445069|6.137525|0.148325|8.862332|8.421011|6.165479|4.421609|6.262559|3.519199|3.381272|2.727231|2.389248|2.439631|2.870880|17.595179|0.075050|0.077956|0.095584|0.058780|0.047772|0.045664|0.051952|0.067022|0.137592|0.116392|0.113620|0.163011|0.106859|0.071598|0.058811|0.060545|0.077697|0.500000| |2.581780|2.750323|3.270590|2.952024|5.491593|3.337127|3.230137|0.060005|2.157687|1.957410|1.754359|1.708192|1.838217|2.074079|4.328493|0.116878|4.406517|4.104283|3.657260|3.474345|3.660149|4.103834|4.310921|5.024393|5.471442|5.372941|0.135905|9.013151|10.439513|6.744662|4.341806|6.072140|3.948902|3.955789|3.124793|2.658282|2.660262|3.114390|17.612721|0.063777|0.068495|0.078574|0.054680|0.045551|0.043721|0.049064|0.060945|0.108684|0.091532|0.085236|0.108879|0.130670|0.082575|0.064961|0.065004|0.081950|0.300577|0.500000| 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