Version2.0 2020-07-19T15:27:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1c2c(n(n1)c3cccc(c3)F)N(C(=O)CS[C@H]2c4cccs4)CC(=O)NCC[NH+](C)C C37264167 RHF 6-31G(d) (6D,7F) CC(C)(C)c1c2c(n(n1)c3cccc(c3)F)N(C(=O)CS[C@H]2c4cccs4)CC(=O)NCC[NH+](C)C C01[X(C26H33F1N5O2S2)] 201 C1 614 C[NH+](CCNC(=O)CN1C(=O)CS[C@H](c2c1n(nc2C(C)(C)C)c1cccc(c1)F)c1cccs1)C C[NH+](CCNC(=O)CN1C(=O)CS[C@H](c2c1n(nc2C(C)(C)C)c1cccc(c1)F)c1cccs1)C C[NH+](C)CCNC(=O)CN1C(=O)CS[C@@H](c2sccc2)c3c(nn(c4cccc(F)c4)c13)C(C)(C)C InChIKey=DLCNUTGSIAMSSH-QHCPKHFHSA-O InChI=1S/C26H32FN5O2S2/c1-26(2,3)24-22-23(19-10-7-13-35-19)36-16-21(34)31(15-20(33)28-11-12-30(4)5)25(22)32(29-24)18-9-6-8-17(27)14-18/h6-10,13-14,23H,11-12,15-16H2,1-5H3,(H,28,33)/p+1/t23-/m0/s1 InChI=1/C26H32FN5O2S2/c1-26(2,3)24-22-23(19-10-7-13-35-19)36-16-21(34)31(15-20(33)28-11-12-30(4)5)25(22)32(29-24)18-9-6-8-17(27)14-18/h6-10,13-14,23H,11-12,15-16H2,1-5H3,(H,28,33)/p+1/t23-/m0/s1/fC26H33FN5O2S2/h28,30H/q+1 CC(C)(C)c1c2c(n(n1)c3cccc(c3)F)N(C(=O)CS[C@H]2c4cccs4)CC(=O)NCC[NH+](C)C C01[X(C26H33F1N5O2S2)] 201 C01 614 C[NH+](CCNC(=O)CN1C(=O)CS[C@H](c2c1n(nc2C(C)(C)C)c1cccc(c1)F)c1cccs1)C C[NH](CCNC(=O)CN1C(=O)CS[C@H]([C]2[C]1[N@]([N][C]2C(C)(C)C)[C]1[CH][CH][CH][C]([CH]1)F)C1=[CH][CH]=CS1)C C[NH](C)CCNC(=O)CN1[C]2[C]([C]([N]N2[C]3[CH][CH][CH][C](F)[CH]3)C(C)(C)C)[C@@H](SCC1=O)c4sccc4 InChIKey=HDGOCVXVSTXGPB-QHCPKHFHSA-N InChI=1S/C26H33FN5O2S2/c1-26(2,3)24-22-23(19-10-7-13-35-19)36-16-21(34)31(15-20(33)28-11-12-30(4)5)25(22)32(29-24)18-9-6-8-17(27)14-18/h6-10,13-14,23,30H,11-12,15-16H2,1-5H3,(H,28,33)/t23-/m0/s1 InChI=1/C26H33FN5O2S2/c1-26(2,3)24-22-23(19-10-7-13-35-19)36-16-21(34)31(15-20(33)28-11-12-30(4)5)25(22)32(29-24)18-9-6-8-17(27)14-18/h6-10,13-14,23,30H,11-12,15-16H2,1-5H3,(H,28,33)/t23-/m0/s1/f/h28H 4627.8459573727 -2319.9891298 1-A 18794.9413 140 474 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04205 -92.03273 -26.38579 -20.65540 -20.64957 -15.85283 -15.73340 -15.71945 -15.71627 -15.66070 -11.47586 -11.47018 -11.43680 -11.43242 -11.42104 -11.41775 -11.40598 -11.40068 -11.39290 -11.37528 -11.36989 -11.35907 -11.34739 -11.33944 -11.33263 -11.32401 -11.32340 -11.32130 -11.31429 -11.31409 -11.31142 -11.30760 -11.30408 -11.26778 -11.26342 -11.25734 -9.05224 -9.04204 -6.73483 -6.73385 -6.73217 -6.72476 -6.72332 -6.72114 -1.70465 -1.53128 -1.51551 -1.48805 -1.48736 -1.37693 -1.37086 -1.26986 -1.25615 -1.21434 -1.20183 -1.18667 -1.15283 -1.15078 -1.14638 -1.13231 -1.10848 -1.09617 -1.08039 -1.07042 -1.05731 -1.03503 -1.01952 -0.99226 -0.98580 -0.96838 -0.94449 -0.93328 -0.92522 -0.91460 -0.89809 -0.89391 -0.86023 -0.85489 -0.84651 -0.83701 -0.83136 -0.81826 -0.81336 -0.80029 -0.79249 -0.78469 -0.77454 -0.77036 -0.76844 -0.76679 -0.75560 -0.75515 -0.74152 -0.73633 -0.72943 -0.72794 -0.72429 -0.71801 -0.70885 -0.70542 -0.70129 -0.69355 -0.68968 -0.68782 -0.68505 -0.68091 -0.67321 -0.66551 -0.66417 -0.65350 -0.64908 -0.64643 -0.63768 -0.62856 -0.61857 -0.61261 -0.60263 -0.59846 -0.59096 -0.58862 -0.58048 -0.57318 -0.56673 -0.56252 -0.55689 -0.54879 -0.54119 -0.53660 -0.53115 -0.52754 -0.52723 -0.51564 -0.49992 -0.45760 -0.43365 -0.42169 -0.41978 -0.41690 -0.39994 -0.39248 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.03049 0.03281 0.05055 0.05323 0.06585 0.07319 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0.83614 0.83896 0.84365 0.84645 0.84866 0.86280 0.86522 0.87017 0.87091 0.88195 0.88932 0.89627 0.89780 0.90261 0.91004 0.91240 0.91903 0.92525 0.93038 0.93926 0.94717 0.94962 0.95867 0.95929 0.97100 0.97636 0.98207 0.98756 0.99539 1.00270 1.00951 1.01129 1.01699 1.02170 1.02183 1.02644 1.03053 1.03698 1.03870 1.04137 1.04697 1.04957 1.05263 1.05539 1.05911 1.06230 1.06566 1.06826 1.07294 1.07669 1.07779 1.08013 1.08230 1.08300 1.08836 1.09431 1.09682 1.10326 1.10953 1.11419 1.11818 1.12045 1.12414 1.12444 1.13100 1.13628 1.14122 1.14862 1.15422 1.16137 1.16895 1.17342 1.17621 1.18269 1.18952 1.19113 1.19890 1.20504 1.21233 1.21586 1.22753 1.23021 1.23351 1.23780 1.24762 1.26310 1.26825 1.27137 1.28062 1.28949 1.29539 1.30380 1.31076 1.32111 1.33689 1.34323 1.35150 1.36903 1.37539 1.38242 1.39586 1.40067 1.41320 1.41703 1.43230 1.43773 1.44809 1.45538 1.46309 1.46963 1.47813 1.48281 1.50036 1.51846 1.52152 1.52655 1.54396 1.56002 1.56275 1.57500 1.58291 1.59001 1.59499 1.60526 1.61032 1.62505 1.63295 1.64208 1.65023 1.65568 1.65802 1.66327 1.66777 1.67196 1.68010 1.68286 1.69504 1.70437 1.70870 1.71774 1.73355 1.76248 1.78926 1.79190 1.80295 1.81729 1.81930 1.85710 1.86354 1.87016 1.87594 1.89076 1.90403 1.92079 1.93414 1.93842 1.95523 1.95709 1.96280 1.97211 1.97567 1.99549 2.00073 2.00820 2.01318 2.02264 2.02535 2.03007 2.03385 2.04229 2.04672 2.04713 2.05291 2.06396 2.06927 2.07375 2.08826 2.09252 2.10052 2.10550 2.11350 2.12744 2.13594 2.14179 2.14681 2.15366 2.15559 2.16474 2.17234 2.17707 2.17737 2.18764 2.19608 2.20379 2.21473 2.21745 2.22001 2.22624 2.22864 2.23228 2.25133 2.25945 2.26806 2.27076 2.28432 2.29051 2.29573 2.31516 2.33184 2.34968 2.35383 2.36292 2.36412 2.37536 2.37838 2.39154 2.40371 2.41289 2.41364 2.42633 2.43364 2.43568 2.44742 2.44848 2.45508 2.46583 2.47144 2.48994 2.49769 2.50633 2.51071 2.51524 2.52823 2.53587 2.54471 2.55925 2.56216 2.56311 2.56983 2.57271 2.58211 2.58748 2.59024 2.59765 2.60673 2.60936 2.63008 2.63806 2.64558 2.65493 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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 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 9 7 6 8 6 16 6 1 6 6 6 6 16 6 6 8 7 6 6 7 1 6 6 1 1 1 1 1 1 1 1 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 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16719.6361 19624.8848 31085.1559 0.98315 0.18277 0.00458 -0.18273 0.98314 -0.00681 -0.00575 0.00586 0.99997 1 0.00518 0.00441 0.00279 0.10794 0.09196 0.05806 21.06 33.72 39.05 46.18 53.74 65.30 78.73 90.57 100.98 109.34 115.42 127.22 135.31 152.13 175.65 204.88 213.82 250.87 268.21 284.80 305.65 332.45 334.94 338.30 349.61 361.02 367.18 380.24 389.44 403.38 416.36 428.42 458.37 475.33 489.15 494.54 502.82 535.05 556.90 567.84 596.41 608.10 628.77 650.11 688.80 701.37 715.04 729.02 750.01 765.12 767.33 778.66 785.76 811.62 818.97 887.11 915.64 925.70 959.23 975.61 1008.96 1031.86 1082.74 1092.04 1112.46 1119.09 1142.40 1155.56 1170.59 1178.31 1213.97 1241.21 1261.89 1267.33 1290.20 1300.74 1314.89 1343.09 1344.84 1380.15 1407.10 1439.66 1451.14 1453.77 1462.59 1470.49 1474.15 1479.80 1485.18 1516.23 1526.26 1540.55 1574.56 1581.70 1591.91 1609.00 1626.44 1645.32 1653.08 1657.81 1682.27 1701.16 1708.86 1717.67 1720.80 1744.10 1757.09 1769.71 1811.40 1846.40 1857.32 1872.95 1885.70 1898.83 1944.22 1951.01 1961.67 1971.49 1972.18 1995.83 2015.45 2021.42 2042.81 2053.11 2059.10 2075.72 2080.20 2104.48 2162.29 2164.53 2175.25 2185.54 2235.75 2241.14 2248.52 2255.91 2259.11 2266.00 2283.42 2286.89 2296.91 2316.09 2330.03 2333.31 2334.85 2337.49 2340.65 2344.09 2346.74 2347.71 2351.83 2359.62 2363.58 2374.50 2375.49 2376.98 2379.26 2380.54 2384.05 2400.66 2433.35 2457.83 2531.75 2544.93 2596.13 2611.24 2764.07 2797.80 4623.21 4624.16 4639.44 4693.02 4701.47 4702.37 4705.02 4708.54 4709.01 4722.00 4727.43 4728.34 4752.90 4756.54 4771.03 4780.67 4789.24 4809.54 4816.65 4836.61 4841.15 4842.45 4847.54 4874.61 4895.63 4903.27 4906.53 4916.48 4920.50 4921.17 4957.17 5320.71 5574.83 0.614883 0.648058 0.649002 0.547912 -2319.374247 -2319.341071 -2319.340127 -2319.441217 3.390575D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CC(C)(C)c1c2c(n(n1)c3cccc(c3)F)N(C(=O)CS[C@H]2c4cccs4)CC(=O)NCC[NH+](C)C C37264167 RHF 6-31G(d) (6D,10F) C1 530.205972 |X|Y|Z| 88.415232 96.777618 40.143762 70.033639 21 6 7 16 16 3 2 |36.858105| |12.383805|36.858105| |7.524895|12.385579|36.858105| |7.655200|12.379963|7.669656|36.858105| |7.618146|12.456513|7.514530|7.592531|36.858105| |5.831895|6.987872|5.644933|4.845579|13.201948|36.858105| |4.361757|5.122545|4.240173|4.145465|8.642056|13.951372|36.858105| |4.285125|5.329488|4.206934|4.765343|8.906255|8.638876|14.161717|53.358707| |5.477834|7.857974|5.467169|7.138810|14.636205|8.502208|8.686927|19.433623|53.358707| |3.343760|3.972786|3.305964|3.896168|5.480586|5.291634|7.585543|18.269857|10.897757|36.858105| |2.999118|3.647635|3.163069|3.800413|4.628453|4.213367|5.287152|10.726462|8.956381|13.738396|36.858105| |2.492480|2.907307|2.583723|3.069855|3.478333|3.261350|3.958248|7.039180|6.130166|7.966617|13.758290|36.858105| |2.295677|2.580637|2.284938|2.671866|3.075765|2.993625|3.677530|6.178785|5.203871|6.859065|7.899673|13.748931|36.858105| |2.449330|2.701447|2.347419|2.717844|3.310253|3.332730|4.269099|7.045498|5.555352|8.025830|6.931767|8.040826|13.835043|36.858105| |2.921475|3.254395|2.747134|3.176717|4.236476|4.357010|6.079686|10.655651|7.356827|13.740694|7.903644|6.871526|7.882538|13.816887|36.858105| |2.192883|2.347507|2.061163|2.344310|2.801826|2.876465|3.564253|5.454230|4.473986|5.325078|4.675028|5.317174|8.164989|14.359214|8.208113|97.533100| |3.415777|3.753010|3.301970|3.177675|5.312054|7.666069|13.555973|10.701150|7.330875|6.251530|4.507906|3.664518|3.613542|4.364334|6.047968|8.583795|53.358707| |3.253148|3.340863|2.946307|2.827919|4.395285|6.139189|7.896318|7.422688|5.780495|4.615431|3.515667|3.014797|3.073753|3.738959|4.866005|7.879383|18.955406|36.858105| |2.716046|2.770402|2.519689|2.402411|3.460809|4.508074|5.435358|5.700301|4.608910|3.818766|3.056286|2.726108|2.836882|3.418151|4.159216|7.510491|11.628009|15.813607|73.516695| |3.838309|3.675040|3.121679|3.043874|4.693361|6.397625|6.818096|6.854792|5.846848|4.103039|3.182781|2.729355|2.759724|3.305123|4.238398|7.026361|10.524783|12.586476|14.182616|36.858105| |4.452043|4.048796|3.594493|3.143744|4.835356|6.798096|5.632640|5.728214|5.407262|3.334913|2.753428|2.353299|2.305751|2.623287|3.219063|5.519759|7.562594|6.865781|9.605926|10.459613|388.023441| |5.029850|5.224173|4.853479|3.751607|6.853095|12.546804|7.745769|7.166345|6.910899|3.854730|3.216795|2.643424|2.493739|2.768588|3.444364|5.603183|8.880584|6.258900|8.566228|6.771374|73.181070|36.858105| |3.955068|4.240168|4.101767|3.251346|5.525353|9.209424|7.586738|6.837549|6.164199|3.835827|3.215545|2.668294|2.532533|2.814415|3.473693|5.715237|10.232369|6.994651|9.910344|6.332428|57.417517|17.671522|0.500000| |5.008484|5.064090|5.423170|3.600727|5.521640|7.237290|5.009262|5.391435|5.594244|3.080019|2.720296|2.283457|2.135701|2.305069|2.751644|4.709809|5.942549|4.238249|6.399928|4.567859|49.525665|12.632190|0.255796|36.858105| |5.153412|4.653405|5.031265|3.400349|4.531820|5.228739|3.882833|4.446870|4.731761|2.631482|2.359600|2.020162|1.903721|2.044401|2.395388|4.234242|4.702670|3.487668|5.420732|3.944388|43.077258|7.339668|0.160292|14.138235|36.858105| |4.100414|3.876005|4.559270|3.003491|3.636502|3.962863|3.136584|3.729367|3.979830|2.280137|2.103017|1.826496|1.714489|1.811672|2.077224|3.766350|3.877120|2.832483|4.552607|3.064665|29.994911|5.008967|0.122701|8.189622|13.254267|36.858105| |3.585067|3.664411|4.512742|2.891166|3.546676|3.893999|3.148286|3.744195|3.953078|2.303838|2.152938|1.867843|1.739363|1.821502|2.078354|3.765305|3.919957|2.786342|4.522736|2.878352|26.784683|4.824220|0.126400|7.664668|8.233678|14.183070|36.858105| |3.760766|4.117117|4.931488|3.157914|4.379034|5.216440|4.123265|4.674537|4.806166|2.794075|2.573756|2.186028|2.020423|2.129106|2.475219|4.340989|5.088954|3.475073|5.529910|3.433949|31.608738|6.815946|0.191674|10.939637|7.467562|7.470663|11.041322|388.023441| |2.794812|3.119388|2.883577|2.745420|4.135060|5.289222|7.632576|8.144643|5.914589|5.651654|4.474596|3.795842|3.765555|4.406074|5.562682|8.695570|17.835760|7.922467|12.826624|5.024018|28.948989|4.802026|0.161446|3.631446|2.926657|2.531207|2.638549|24.353185|36.858105| |2.543225|2.778988|2.681933|2.415782|3.491123|4.487451|5.432334|5.811342|4.701700|3.932437|3.367614|2.961469|2.928394|3.285325|3.858428|6.801498|10.614611|6.593911|12.546035|4.442853|28.319832|4.663858|0.169775|3.717025|2.982818|2.629653|2.797614|26.206640|12.516854|36.858105| |2.692673|2.939233|2.919618|2.487696|3.642956|4.819886|5.285980|5.499294|4.672325|3.536259|3.083397|2.675476|2.588417|2.847190|3.345585|5.874488|9.123363|5.938249|10.624418|4.382449|31.068148|5.490194|0.219988|4.485448|3.466367|3.060970|3.332854|32.964455|7.985446|15.840767|73.516695| |2.162895|2.324399|2.253968|2.072237|2.811412|3.420505|4.012299|4.619401|3.841195|3.300455|2.917403|2.684747|2.726560|3.034758|3.378061|6.524518|7.312223|5.080910|10.761869|3.657493|23.199599|3.556220|0.121089|2.992058|2.510331|2.265905|2.399572|21.375082|7.771084|14.074286|15.188442|53.358707| |1.981312|2.094701|2.069005|1.864650|2.454536|2.947480|3.256671|3.786177|3.279954|2.667987|2.408728|2.237057|2.260853|2.473221|2.708155|5.397401|5.541720|4.103351|8.721353|3.193175|21.446530|3.204231|0.107965|2.828093|2.422021|2.230975|2.376018|20.678616|5.044855|7.938657|12.617017|18.002456|36.858105| |2.014162|2.074538|2.033124|1.828964|2.408132|2.926412|3.150701|3.602758|3.157977|2.491514|2.213124|2.047273|2.083463|2.312243|2.559256|5.118388|5.361718|4.361070|9.822274|3.492070|23.798166|3.319330|0.110631|2.930240|2.553466|2.325894|2.423263|20.605153|4.378626|6.224161|10.865151|10.495465|12.328076|36.858105| |1.944475|1.984778|1.985250|1.741002|2.247035|2.698255|2.776532|3.201331|2.891686|2.183293|1.970453|1.818429|1.825894|1.993180|2.197744|4.385048|4.456026|3.571920|7.422015|3.074149|22.566933|3.157027|0.103641|2.945364|2.617781|2.444808|2.568592|21.307276|3.482211|4.684398|9.179757|6.998284|7.494083|12.625180|53.358707| |1.804833|1.856751|1.873977|1.644736|2.085027|2.458171|2.533700|2.976620|2.704314|2.053497|1.881479|1.750144|1.752962|1.891178|2.058642|4.159459|3.998621|3.103498|6.310292|2.684729|19.613393|2.812495|0.091305|2.669087|2.386227|2.271703|2.417937|19.881816|3.198972|4.255155|8.220021|6.574515|7.374904|9.267931|25.718472|0.500000| |1.820022|1.820844|1.808976|1.607912|2.027453|2.394313|2.436659|2.851606|2.606985|1.954332|1.765104|1.642340|1.662052|1.818206|1.989589|4.055117|3.838011|3.167581|6.565883|2.863904|21.112951|2.792297|0.087851|2.639311|2.432753|2.279244|2.334671|18.537956|2.889643|3.587920|6.797817|5.261397|4.982098|7.684635|17.371952|0.260631|36.858105| |2.174924|2.222468|2.262107|1.909079|2.508008|3.066429|3.037820|3.431960|3.145082|2.273716|2.050163|1.858120|1.834059|1.991911|2.232222|4.304608|4.734709|3.730749|7.286587|3.289042|25.976435|3.779557|0.127258|3.650693|3.187278|2.990867|3.201805|27.160019|3.574872|4.807591|10.660163|6.351791|5.924590|7.610308|17.270220|0.259165|7.738309|36.858105| |17.626514|8.703256|6.736288|5.514549|6.898902|6.279725|4.468912|5.561114|6.604740|3.170933|2.800116|2.344884|2.188010|2.360414|2.824239|4.808329|4.883509|3.517875|5.204786|4.275633|39.190189|6.109943|0.126366|6.371549|6.982818|5.010101|4.146353|30.596583|2.895741|2.694832|5.169539|3.099091|2.105147|2.171877|2.879558|0.054075|1.984230|2.402552|0.500000| |17.550297|8.761920|5.476412|7.029337|6.915581|5.428443|4.357411|5.999045|7.527994|3.499494|3.079631|2.577512|2.406623|2.601688|3.120619|5.264867|4.692883|3.337726|4.926994|4.057871|31.248753|4.561690|0.101954|4.231120|4.277840|3.435925|3.042127|22.962772|2.783898|2.486879|4.581789|2.903168|1.940642|1.981398|2.573610|0.048642|1.782900|2.080597|0.301929|0.500000| |17.552410|8.797820|6.948080|6.990418|5.523612|4.438901|3.512784|4.766755|5.936689|2.864207|2.647801|2.249596|2.073548|2.180500|2.534281|4.434496|3.899640|2.751393|4.196300|3.180003|26.138168|4.042593|0.092113|4.263827|4.635661|3.961834|3.430440|24.195214|2.422474|2.240793|4.220393|2.638101|1.797583|1.826760|2.426493|0.046283|1.681384|1.988699|0.302313|0.301549|0.500000| |6.832451|8.825787|17.552118|7.169578|5.493280|4.333841|3.446739|4.728703|5.976838|2.856772|2.781345|2.333752|2.078064|2.117435|2.427775|4.230717|3.800978|2.549588|3.947789|2.722244|22.159714|3.905786|0.093668|4.426191|4.437800|4.260144|4.123149|29.352124|2.478403|2.328231|4.469804|2.720652|1.856564|1.833053|2.455734|0.047547|1.663246|2.040541|0.164836|0.140876|0.206937|0.500000| |5.474697|8.761692|17.552112|6.911830|6.905400|5.294344|4.229034|5.878406|7.574449|3.454653|3.422280|2.767646|2.395217|2.417519|2.805968|4.721368|4.498102|2.865039|4.394710|2.921081|23.058599|4.436524|0.109977|4.776119|4.223813|3.963369|4.179800|34.194137|2.981069|2.761221|5.322692|3.154118|2.112614|2.035937|2.693076|0.052317|1.783344|2.244236|0.138881|0.122568|0.141004|0.301725|0.500000| |6.854929|8.686697|17.656654|5.520954|6.670862|5.893391|4.246664|5.367678|6.479840|3.092250|2.900533|2.397703|2.156074|2.240532|2.626252|4.477862|4.619522|3.081801|4.701390|3.276473|28.491555|5.680443|0.130549|7.278942|6.730472|6.083944|6.024329|46.399225|2.953231|2.829170|5.632633|3.212974|2.193541|2.176211|2.931257|0.056196|1.956427|2.507024|0.199941|0.139247|0.173417|0.302996|0.301597|0.500000| |6.941554|8.711020|5.521166|17.597098|6.899951|4.607116|4.149081|6.744317|9.934144|4.168494|3.991977|3.249445|2.862796|2.940344|3.448896|5.698959|4.366274|2.883867|4.340295|3.146842|22.166811|3.541532|0.085763|3.272012|3.100608|2.704990|2.579854|20.067986|2.740514|2.370675|4.263784|2.788351|1.832415|1.805210|2.317376|0.044566|1.582045|1.844456|0.141293|0.210252|0.171383|0.144132|0.140940|0.122376|0.500000| |5.516979|8.718134|6.985995|17.591791|6.832394|4.537848|4.068454|6.607810|9.855513|4.103056|4.245592|3.378471|2.840314|2.811285|3.241339|5.370107|4.270293|2.723929|4.153503|2.826981|20.401346|3.497934|0.087051|3.348357|3.085772|2.790456|2.772813|21.951838|2.793658|2.443819|4.447737|2.857225|1.878149|1.813999|2.342520|0.045470|1.576983|1.880241|0.122399|0.142099|0.142195|0.177817|0.207165|0.140904|0.302361|0.500000| |7.075153|8.857949|7.069734|17.554181|5.529266|3.961327|3.400962|5.110690|6.918987|3.191647|3.151952|2.646993|2.339019|2.365154|2.698193|4.680481|3.705763|2.482426|3.818195|2.687545|20.170150|3.288544|0.079718|3.295427|3.242578|2.949839|2.808468|20.883247|2.390993|2.152602|3.964911|2.548581|1.709281|1.685759|2.208330|0.042721|1.510477|1.779832|0.142971|0.175502|0.213757|0.219526|0.170835|0.144169|0.301264|0.301432|0.500000| |3.157505|4.018156|3.555725|4.289207|4.982038|4.295149|5.036172|9.887074|9.684402|8.938230|17.767697|8.882697|5.625222|4.986525|5.641890|8.327873|5.599986|3.233588|4.997503|2.982057|19.174269|3.254238|0.089532|2.824224|2.445848|2.201758|2.274688|19.365175|4.061734|3.198685|5.376088|3.741399|2.311219|2.121800|2.614289|0.051149|1.716673|2.026163|0.080848|0.087976|0.077962|0.086311|0.110683|0.088527|0.120651|0.141070|0.097575|0.500000| |2.299506|2.684277|2.441662|2.886665|3.095320|2.870371|3.343576|5.706040|5.280936|5.663576|8.946427|17.734386|8.941148|5.694875|4.952599|9.616260|4.217344|2.601824|4.240237|2.383331|15.008594|2.375150|0.066557|2.102268|1.877293|1.721577|1.769593|14.561102|3.239770|2.637752|4.302271|3.299708|2.058138|1.878089|2.297351|0.045468|1.528258|1.725953|0.059912|0.065433|0.058565|0.062081|0.073407|0.062675|0.083757|0.089709|0.070344|0.214543|0.500000| |2.041552|2.262969|2.033101|2.354169|2.624699|2.562893|3.055846|4.920582|4.297431|4.947619|5.613676|8.835433|17.750027|8.960449|5.637031|16.674312|4.152499|2.676784|4.492077|2.425478|14.606592|2.191670|0.061936|1.908394|1.719887|1.564075|1.587044|12.946988|3.212594|2.600509|4.108071|3.380468|2.094308|1.931658|2.315071|0.045637|1.559098|1.694105|0.054217|0.059339|0.051866|0.051985|0.059072|0.053508|0.069770|0.069292|0.058272|0.123393|0.213050|0.500000| |2.986498|3.207464|2.689319|3.041788|4.176523|4.520594|6.334448|9.629546|6.789673|8.829488|5.614804|4.956873|5.644583|8.974945|17.772161|16.850606|9.329778|5.960848|8.848744|5.183193|25.741426|3.673419|0.102567|2.864645|2.501504|2.138229|2.114265|17.848045|5.741227|4.021277|6.174423|4.789908|2.827893|2.745705|3.175405|0.059938|2.129436|2.357375|0.081691|0.089758|0.071393|0.066083|0.074726|0.072580|0.091906|0.083797|0.072456|0.123739|0.107616|0.124702|0.500000| |3.308156|3.100564|2.686081|2.649382|3.741250|4.705300|4.970184|5.451553|4.768687|3.479097|2.781297|2.460838|2.537278|3.037430|3.728691|6.701471|7.820413|9.054243|13.522789|17.640089|57.380644|5.087782|0.136199|3.818712|3.464382|2.770192|2.585665|21.178035|4.234508|3.905429|6.768121|4.633981|3.056314|3.457738|4.146425|0.073489|2.939445|3.165492|0.101667|0.098053|0.078538|0.066596|0.069965|0.078151|0.076557|0.068503|0.066291|0.072128|0.060242|0.063039|0.127158|0.500000| |4.313767|4.100156|3.299580|3.439262|5.351230|6.763119|7.342539|7.977412|6.851797|4.673507|3.517714|2.974479|3.000456|3.636933|4.821497|7.602557|9.699361|8.825082|10.649188|17.642042|56.040920|6.072508|0.149171|4.242495|3.735571|2.922929|2.732337|22.850123|4.661229|3.897036|6.739549|4.415703|2.808793|2.971116|3.594653|0.065449|2.467947|2.810573|0.128647|0.133154|0.097058|0.079918|0.085189|0.093395|0.101763|0.087398|0.082926|0.090715|0.071372|0.072387|0.167135|0.300683|0.500000| |5.596688|4.552394|4.549950|3.381963|4.356515|4.900819|3.716910|4.316834|4.604582|2.573145|2.287165|1.970953|1.875228|2.029234|2.378237|4.236439|4.523197|3.459860|5.359838|4.140041|46.691182|6.484192|0.139531|8.906750|17.758238|8.611941|5.739834|37.709736|2.766910|2.768972|5.555190|3.215431|2.272325|2.427672|3.355760|0.062154|2.342043|2.921541|0.226164|0.132306|0.139974|0.115084|0.104692|0.156050|0.087719|0.083259|0.090356|0.065158|0.050721|0.047148|0.069822|0.102813|0.110333|0.500000| |3.741911|3.429045|3.963067|2.759200|3.140039|3.318923|2.707128|3.291299|3.522558|2.050299|1.905881|1.674956|1.579526|1.663235|1.886258|3.483040|3.379040|2.494362|4.059173|2.720379|25.805018|4.000433|0.099320|5.715154|8.588175|17.752814|8.917954|37.743278|2.224734|2.300207|4.665905|2.750763|2.003343|2.098144|3.015766|0.057540|2.105766|2.656502|0.124064|0.088483|0.104691|0.108281|0.095898|0.138074|0.069605|0.070917|0.077003|0.055288|0.044090|0.040295|0.053937|0.069757|0.072723|0.202511|0.500000| |3.068411|3.169173|3.918690|2.604880|3.044281|3.258434|2.735003|3.325908|3.502125|2.092328|1.986844|1.743964|1.623027|1.683762|1.894961|3.492530|3.450038|2.444222|4.033514|2.489119|22.182366|3.841295|0.103730|5.396551|5.683449|8.772410|17.787602|55.343073|2.380758|2.539184|5.315887|3.024239|2.225548|2.248123|3.277419|0.064009|2.196175|2.966700|0.095251|0.073495|0.083356|0.103031|0.104309|0.136866|0.064695|0.070431|0.071182|0.058495|0.046319|0.041421|0.053179|0.062982|0.065983|0.122666|0.203610|0.500000| |2.819029|3.267390|3.061404|2.915257|4.358341|5.278221|7.495420|8.912414|6.460498|6.349013|5.306686|4.340651|4.079138|4.522228|5.605441|8.497840|12.529294|5.779571|9.162606|4.205108|25.730921|4.516657|0.147353|3.550616|2.854168|2.508864|2.657015|24.751012|17.632105|8.976845|12.249678|8.484836|4.367108|3.694161|4.197166|0.080646|2.572225|3.222093|0.079677|0.077129|0.068179|0.072561|0.090495|0.085745|0.079894|0.084518|0.069928|0.136167|0.102950|0.095218|0.146374|0.098835|0.113458|0.074078|0.061185|0.067124|0.500000| |2.519825|2.764300|2.533209|2.506097|3.550703|4.279223|5.932122|7.087105|5.225979|5.501547|4.384831|3.939169|4.143880|5.056248|6.110060|10.311192|12.411505|6.941599|12.454480|4.574099|25.300142|3.894862|0.124375|3.052914|2.551774|2.231233|2.301111|20.420296|17.622995|8.806658|10.414085|10.194350|4.816284|4.188825|4.430603|0.083802|2.765763|3.196041|0.071785|0.070923|0.061345|0.061612|0.072436|0.071225|0.070669|0.070831|0.061113|0.106245|0.092309|0.098766|0.177873|0.112636|0.120263|0.068185|0.055348|0.058324|0.301991|0.500000| |2.069903|2.213517|2.115733|2.003647|2.672141|3.184426|3.814762|4.530063|3.727328|3.359689|2.957909|2.783785|2.906873|3.286216|3.580753|7.231488|6.994014|4.945187|10.768546|3.564237|21.670757|3.217011|0.105559|2.696989|2.302066|2.073903|2.167766|18.881301|7.391335|9.400375|10.939817|26.048945|9.068215|6.455312|5.954350|0.114820|3.516744|3.877821|0.059996|0.057400|0.051606|0.052453|0.060285|0.060813|0.055647|0.056385|0.050273|0.075838|0.069349|0.074011|0.104322|0.093894|0.089161|0.061044|0.051874|0.055900|0.162921|0.236681|0.500000| |1.994839|2.126660|2.142512|1.883689|2.470392|2.954784|3.181708|3.704748|3.265037|2.575040|2.361492|2.175699|2.157734|2.320076|2.544714|4.988079|5.193829|3.724009|7.456847|2.987458|20.931921|3.249862|0.110566|2.954264|2.511962|2.352313|2.560624|22.572686|4.651687|7.294452|13.563275|12.637645|17.625958|8.736912|10.047726|0.219543|4.721839|6.605401|0.058980|0.053628|0.050485|0.053342|0.061205|0.063600|0.050866|0.052939|0.048115|0.064029|0.056127|0.055481|0.072709|0.078264|0.073687|0.064391|0.058346|0.067168|0.118040|0.117848|0.181713|0.500000| |1.790260|1.888639|1.865082|1.707426|2.184289|2.554929|2.821779|3.383290|2.954459|2.440359|2.239175|2.122687|2.166487|2.347933|2.506058|5.198989|4.682722|3.459280|7.276222|2.772780|18.463946|2.719450|0.088705|2.437865|2.129423|1.983713|2.104760|17.858935|4.226439|5.811885|9.127321|12.610859|17.615107|8.782533|8.373192|0.183644|4.530837|4.711528|0.052394|0.048941|0.045481|0.046938|0.053031|0.054441|0.046792|0.047934|0.043703|0.059500|0.054694|0.056525|0.072136|0.074865|0.069039|0.055938|0.050067|0.055391|0.104877|0.117994|0.226574|0.303532|0.500000| |1.856590|1.896934|1.845830|1.694279|2.180786|2.595463|2.807395|3.286662|2.890879|2.316048|2.066351|1.941373|2.003259|2.228459|2.424646|5.031392|4.722460|3.894495|8.883215|3.201670|21.285921|2.880224|0.092705|2.558064|2.278486|2.084385|2.146390|17.782231|3.813791|4.935627|8.238652|8.517333|8.753613|17.631827|12.386923|0.211746|7.630118|5.636177|0.055252|0.051193|0.047039|0.046636|0.051227|0.054399|0.046796|0.046624|0.043559|0.054656|0.049581|0.052109|0.072602|0.090701|0.076651|0.061061|0.052921|0.055682|0.090216|0.106206|0.164586|0.176642|0.227094|0.500000| |2.235366|2.286363|2.209977|1.989805|2.695684|3.372169|3.650103|4.042157|3.502512|2.742025|2.379151|2.170718|2.210477|2.494539|2.827346|5.498454|6.452359|5.619883|13.569491|4.333855|28.992621|3.913450|0.132704|3.320494|2.855307|2.530776|2.598972|22.400108|5.006961|7.041293|12.344421|10.255390|8.733629|17.670672|12.387932|0.182496|6.681644|7.374326|0.067573|0.061314|0.055683|0.054914|0.060908|0.065956|0.054738|0.054384|0.050629|0.063052|0.054734|0.056327|0.085988|0.119122|0.098477|0.075880|0.062888|0.065781|0.112366|0.130109|0.177915|0.190252|0.176573|0.302214|0.500000| |1.934078|1.911073|1.877222|1.677692|2.134447|2.544259|2.579753|2.989812|2.728927|2.033121|1.814210|1.680265|1.706403|1.885815|2.082683|4.218107|4.087028|3.502707|7.349476|3.228191|23.853643|3.007584|0.093731|2.801401|2.597624|2.386091|2.396321|18.974348|2.980743|3.615261|6.816383|5.133468|4.543970|7.091567|12.346338|0.181746|17.647558|6.965770|0.059012|0.052915|0.049393|0.047869|0.050928|0.056477|0.046059|0.045356|0.043713|0.048821|0.043187|0.044295|0.062736|0.094099|0.075832|0.070437|0.061224|0.061774|0.072682|0.079246|0.096666|0.116889|0.112498|0.196476|0.199806|0.500000| |1.758264|1.752686|1.761267|1.548191|1.922949|2.245439|2.244581|2.648326|2.456541|1.808366|1.648460|1.533436|1.541258|1.670755|1.822788|3.710219|3.445179|2.793960|5.588735|2.591497|19.693854|2.630777|0.081638|2.565861|2.405657|2.300802|2.364063|18.322728|2.572135|3.136012|6.068386|4.485194|4.128953|5.589619|12.300114|0.222139|17.649278|7.245047|0.053351|0.047547|0.045485|0.045273|0.048151|0.053168|0.042107|0.042148|0.040675|0.044888|0.039883|0.040255|0.053781|0.073404|0.062827|0.064086|0.059543|0.062444|0.064864|0.067903|0.083249|0.114603|0.105868|0.149819|0.140237|0.299194|0.500000| |1.679278|1.684125|1.665311|1.505344|1.872422|2.181299|2.250863|2.675735|2.439074|1.863622|1.692126|1.592338|1.624680|1.775091|1.917352|4.000794|3.552149|2.910526|6.091055|2.618328|18.697260|2.476896|0.077099|2.325782|2.153141|2.023393|2.069949|16.348989|2.716198|3.310718|6.032251|5.047900|4.794332|7.015965|12.288780|0.226225|17.650047|5.616694|0.050357|0.045988|0.043233|0.042715|0.045789|0.049528|0.041341|0.041149|0.039317|0.045489|0.041249|0.042631|0.056907|0.075291|0.063543|0.057970|0.052310|0.054468|0.067366|0.073901|0.096628|0.121939|0.129563|0.229194|0.161040|0.299077|0.299149|0.500000| |2.275097|2.377278|2.443379|2.033065|2.718876|3.356841|3.345016|3.746865|3.412380|2.467692|2.233243|2.006476|1.960168|2.116947|2.384861|4.513577|5.211255|3.910139|7.443051|3.342259|26.154704|4.103817|0.144285|3.935761|3.301068|3.100173|3.424149|30.816949|4.063150|5.789959|14.245934|7.303135|6.666051|7.120165|12.216926|0.218010|5.613813|17.709620|0.069399|0.060015|0.057490|0.060545|0.068259|0.075339|0.054188|0.056117|0.052295|0.061666|0.051752|0.050009|0.069145|0.086726|0.080194|0.082281|0.075192|0.088018|0.103194|0.097821|0.118042|0.231705|0.140199|0.142841|0.192555|0.143752|0.145360|0.125754|0.500000| |2.039792|2.072676|2.139816|1.791157|2.285915|2.724723|2.653440|3.063018|2.859767|2.038512|1.863580|1.698647|1.670628|1.795808|1.992279|3.886943|4.002685|3.112894|5.942631|2.843856|22.865266|3.322948|0.107469|3.367440|3.041387|2.959859|3.194419|25.802917|3.000839|3.834007|8.250441|5.116866|4.663085|5.576373|12.313425|0.227825|7.070578|17.648225|0.062520|0.053932|0.052470|0.054252|0.058900|0.066076|0.047873|0.048999|0.046852|0.051540|0.044206|0.043130|0.058009|0.076592|0.068872|0.077267|0.074099|0.084133|0.077061|0.075463|0.089458|0.146528|0.110338|0.126723|0.146484|0.169249|0.219551|0.145503|0.297454|0.500000| 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