Version2.0 2020-01-07T16:16:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)Cc5ccc(cc5)O)C(=O)N(C4=O)CCc6ccccc6)C(=O)N2 C12881498 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)Cc5ccc(cc5)O)C(=O)N(C4=O)CCc6ccccc6)C(=O)N2 C01[X(C29H28N3O4)] 186 C1 596 Cc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2 Cc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2 Cc1ccc2NC(=O)[C@@]3([NH2+][C@@H](Cc4ccc(O)cc4)[C@@H]5[C@H]3C(=O)N(CCc6ccccc6)C5=O)c2c1 InChIKey=HUFTWKFMYFEESC-APSVEGKFSA-O InChI=1S/C29H27N3O4/c1-17-7-12-22-21(15-17)29(28(36)30-22)25-24(23(31-29)16-19-8-10-20(33)11-9-19)26(34)32(27(25)35)14-13-18-5-3-2-4-6-18/h2-12,15,23-25,31,33H,13-14,16H2,1H3,(H,30,36)/p+1/t23-,24+,25-,29+/m0/s1 InChI=1/C29H27N3O4/c1-17-7-12-22-21(15-17)29(28(36)30-22)25-24(23(31-29)16-19-8-10-20(33)11-9-19)26(34)32(27(25)35)14-13-18-5-3-2-4-6-18/h2-12,15,23-25,31,33H,13-14,16H2,1H3,(H,30,36)/p+1/t23-,24+,25-,29+/m0/s1/fC29H28N3O4/h30-31H/q+1 Cc1ccc2c(c1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)Cc5ccc(cc5)O)C(=O)N(C4=O)CCc6ccccc6)C(=O)N2 C01[X(C29H28N3O4)] 186 C01 596 Cc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2 Cc1ccc2c(c1)[C@]1([NH2][C@H]([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)Cc1ccc(cc1)O)C(=O)N2 Cc1ccc2NC(=O)[C@@]3([NH2][C@@H](Cc4ccc(O)cc4)[C@@H]5[C@H]3C(=O)N(CCc6ccccc6)C5=O)c2c1 InChIKey=CNZLWEDVZXKMBC-APSVEGKFSA-N InChI=1S/C29H28N3O4/c1-17-7-12-22-21(15-17)29(28(36)30-22)25-24(23(31-29)16-19-8-10-20(33)11-9-19)26(34)32(27(25)35)14-13-18-5-3-2-4-6-18/h2-12,15,23-25,33H,13-14,16,31H2,1H3,(H,30,36)/t23-,24+,25-,29+/m0/s1 InChI=1/C29H28N3O4/c1-17-7-12-22-21(15-17)29(28(36)30-22)25-24(23(31-29)16-19-8-10-20(33)11-9-19)26(34)32(27(25)35)14-13-18-5-3-2-4-6-18/h2-12,15,23-25,33H,13-14,16,31H2,1H3,(H,30,36)/t23-,24+,25-,29+/m0/s1/f/h30H 3807.1942993325 -1577.1585799 1-A 19709.8002 127 469 596 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69114 -20.68706 -20.67775 -20.67654 -15.85278 -15.74605 -15.73985 -11.51183 -11.49430 -11.49366 -11.47662 -11.44706 -11.41784 -11.41083 -11.40536 -11.40407 -11.37838 -11.37318 -11.37111 -11.36949 -11.36033 -11.35936 -11.35849 -11.35070 -11.34992 -11.34899 -11.33586 -11.33027 -11.32664 -11.32254 -11.31351 -11.30061 -11.30027 -11.29790 -11.29753 -11.29511 -1.56371 -1.55700 -1.53592 -1.50962 -1.49479 -1.42913 -1.40624 -1.28547 -1.27181 -1.26341 -1.23081 -1.22914 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.1208 18.8818 22.9567 23.9415 30.4706 34.5061 34.6648 40.4395 54.9764 55.5734 68.3758 88.5697 100.4884 120.3982 133.1428 144.3558 170.9467 184.9723 210.7962 225.7265 252.7661 263.2517 285.7154 309.0647 327.6886 334.6531 344.1722 353.4844 372.8790 378.8498 382.7986 405.8223 440.5703 443.1843 455.4298 460.6015 464.0274 470.1370 479.6461 502.8149 533.2062 554.7825 566.9179 579.8304 594.4116 605.0206 626.8848 640.1854 649.8933 670.4579 680.7993 682.6751 703.4800 708.0365 745.5817 771.5667 780.2593 794.4084 804.1603 819.6452 824.7895 838.8425 844.2833 854.2690 860.7043 884.4123 886.6790 906.8135 920.6327 926.9314 933.7843 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3349.9494 3351.2989 3351.4668 3359.4280 3370.3783 3370.6710 3376.7882 3381.3729 3394.5358 3396.1959 3402.7589 3661.3051 3722.4385 3865.9260 4106.6624 5.9290 5.6168 4.4712 4.8127 5.5113 3.7868 1.1469 3.4757 6.1809 3.8810 4.5628 4.7938 5.2543 7.7066 7.1155 8.1670 6.1677 4.2203 5.4999 4.6284 5.6234 5.0950 4.3407 2.4699 4.1825 4.0398 3.0982 1.1510 3.7492 5.0815 2.7675 4.4014 5.7316 4.8854 2.9155 3.0897 3.0442 6.0264 3.7611 2.5038 5.0838 3.0328 1.4819 2.9045 4.9032 3.6261 3.5136 4.9688 4.6199 3.9065 6.3495 8.2745 6.6898 5.9502 6.3574 5.1742 2.0695 3.3465 3.4991 3.1262 2.5200 2.9498 1.7547 3.1407 5.1704 3.2550 4.8697 3.6832 4.8418 2.6129 1.4543 1.3774 1.8584 1.2483 2.3027 4.2378 2.5291 1.3766 1.4403 1.7231 2.0736 1.8403 6.2760 1.3831 1.8179 1.3649 1.3853 2.5641 2.5345 3.0952 2.7537 2.3050 1.7000 2.3395 3.1839 2.4726 1.5304 1.8420 2.7191 2.8049 1.7320 2.1372 1.7836 2.1822 2.5488 1.1861 1.5454 2.2402 1.2196 2.8999 2.3705 1.5200 1.6439 1.6846 1.6709 1.7600 1.8229 1.6083 1.3551 1.5790 2.0110 3.2106 1.7658 1.4296 1.4863 1.8212 1.3832 1.2962 1.5816 1.5018 1.8386 2.5234 1.9820 1.4412 1.4119 1.9051 1.2417 2.0959 2.4616 2.0832 1.1091 1.1196 1.0556 1.1049 1.2820 2.2311 2.9705 2.6690 5.6328 5.2052 6.1301 5.2440 3.0048 1.2957 6.0235 12.5942 10.6758 12.1449 1.0601 1.0371 1.0639 1.1062 1.1024 1.0876 1.0603 1.1037 1.1044 1.0877 1.0899 1.0900 1.0940 1.1005 1.0956 1.0896 1.0922 1.0909 1.0961 1.0909 1.0951 1.0989 1.0965 1.0948 1.0557 1.0961 1.0810 1.0671 0.0002 0.0012 0.0014 0.0016 0.0030 0.0027 0.0008 0.0033 0.0110 0.0071 0.0126 0.0222 0.0313 0.0658 0.0743 0.1003 0.1062 0.0851 0.1440 0.1389 0.2117 0.2080 0.2088 0.1390 0.2646 0.2666 0.2162 0.0847 0.3071 0.4297 0.2389 0.4271 0.6555 0.5654 0.3563 0.3862 0.3862 0.7848 0.5098 0.3730 0.8516 0.5500 0.2806 0.5753 1.0207 0.7820 0.8135 1.1998 1.1497 1.0346 1.7339 2.2721 1.9506 1.7575 2.0822 1.8148 0.7423 1.2443 1.3332 1.2374 1.0100 1.2229 0.7369 1.3504 2.2567 1.5001 2.2557 1.7845 2.4179 1.3227 0.7471 0.7135 0.9937 0.6771 1.2643 2.3715 1.4952 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24.2571 10.0793 0.0005 16.8609 0.5149 5.1578 7.4518 7.3012 8.0405 4.9774 139.6633 20.3077 4.6587 13.2061 10.1114 3.4176 19.6698 34.1266 0.1386 6.7708 1.2511 6.5717 4.7386 1.0503 22.8933 1.7502 10.2444 0.9885 16.5571 12.4009 30.4879 5.4029 27.6624 9.0498 16.8439 6.9823 12.6110 7.1563 2.3407 45.7315 31.2512 0.0740 25.5142 0.8755 4.0126 2.3764 0.0770 6.3844 5.4522 5.0016 1.2135 0.1812 2.4576 0.0057 1.8704 8.7258 5.8140 18.9868 19.2336 2.0890 3.1840 10.3601 3.1982 8.9875 2.6816 7.9036 75.4912 19.6548 16.3772 12.6012 7.4254 53.7851 7.7177 47.1337 44.1333 2.3633 0.0698 9.2717 0.3627 38.6142 87.9955 29.5046 1.8191 33.6517 28.1722 66.2285 1.2760 13.4714 33.8473 139.5498 48.7335 26.1735 0.5246 36.0326 66.7942 7.1776 77.4411 71.5402 151.6340 316.1962 11.6901 4.0631 77.6216 142.8705 6.5341 35.7045 24.4409 8.5274 13.0687 24.8603 13.4591 2.9135 6.3467 38.5790 103.4033 132.2319 20.5554 3.2682 13.2983 3.1276 150.7673 16.6112 66.9954 733.8775 650.0000 28.1676 43.9447 21.9414 5.8141 19.2604 14.2061 0.7477 14.6590 16.8066 2.9567 1.1055 6.8608 13.3612 7.2804 7.9654 10.5138 9.8435 10.8325 3.1234 8.3764 5.2694 29.6646 20.4958 3.6435 1.7640 52.7095 66.6182 152.5122 140.9957 1.7898 2.6386 3.4273 4.6649 2.1084 6.0096 1.6567 1.9103 1.4587 1.6482 3.0815 3.5953 1.6273 0.7781 0.6381 0.5684 3.7283 0.3195 2.6781 2.2887 2.1904 1.9654 2.3072 0.3001 1.3352 2.3527 0.7866 2.1276 1.4253 3.6178 0.1033 1.3909 3.2569 2.8157 0.0842 0.7108 0.0550 8.2262 1.7303 0.9201 1.8108 2.8919 0.5179 0.2165 0.9370 1.3603 0.8071 1.0810 1.2905 0.7881 5.1760 5.5310 5.7477 1.8418 12.1644 0.9178 0.3467 0.8917 1.6885 1.7121 2.4232 7.4337 2.6377 5.1478 1.2351 10.4869 1.0062 8.0985 36.6704 3.6460 3.4357 1.1099 1.6734 2.3977 0.7096 14.8581 2.0939 1.5751 0.9646 0.5381 3.0455 3.3129 28.7616 0.0670 2.2490 0.0462 1.0866 3.6900 4.6578 4.7355 5.3214 10.7439 0.1328 2.1951 3.7827 4.9490 0.5102 0.4392 1.5696 5.8860 1.3331 0.7210 6.7247 1.2386 4.2393 5.3541 4.7715 2.8874 3.1000 10.3832 7.3036 3.0123 4.6664 1.3781 20.0508 10.0067 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1.00783 1.00783 13002.5801 26771.4737 32118.2685 0.99999 -0.00087 -0.00528 0.00098 0.99979 0.02034 0.00526 -0.02035 0.99978 1 0.00666 0.00324 0.00270 0.13880 0.06741 0.05619 10.25 27.17 33.03 34.45 43.84 49.65 49.87 58.18 79.10 79.96 98.38 127.43 144.58 173.23 191.56 207.70 245.95 266.13 303.29 324.77 363.67 378.76 411.08 444.68 471.47 481.49 495.19 508.59 536.49 545.08 550.76 583.89 633.88 637.64 655.26 662.70 667.63 676.42 690.10 723.44 767.16 798.21 815.67 834.25 855.23 870.49 901.95 921.08 935.05 964.64 979.52 982.22 1012.15 1018.71 1072.73 1110.11 1122.62 1142.98 1157.01 1179.29 1186.69 1206.91 1214.74 1229.10 1238.36 1272.47 1275.73 1304.70 1324.59 1333.65 1343.51 1349.11 1370.61 1380.51 1388.93 1402.21 1441.23 1460.78 1495.46 1535.07 1549.27 1551.92 1568.84 1574.24 1575.02 1588.21 1589.07 1594.14 1596.88 1615.61 1624.76 1626.91 1631.38 1635.39 1645.84 1672.56 1694.03 1703.46 1713.24 1733.38 1737.14 1766.53 1788.13 1797.85 1830.26 1870.35 1873.06 1874.67 1875.26 1895.12 1896.76 1905.81 1924.64 1945.99 1953.25 1965.48 1980.08 1994.63 2015.84 2042.09 2049.12 2051.55 2077.81 2083.30 2090.84 2127.40 2133.85 2141.89 2160.04 2166.06 2185.41 2207.34 2227.06 2236.19 2253.02 2259.07 2262.30 2309.94 2310.30 2334.37 2334.87 2345.57 2345.77 2367.95 2370.92 2405.52 2405.73 2442.63 2568.12 2570.31 2593.18 2606.31 2614.93 2619.35 2627.77 2867.05 2895.27 2972.63 4619.77 4625.57 4675.53 4676.20 4714.43 4724.16 4733.98 4734.35 4740.27 4758.40 4811.75 4813.70 4817.82 4819.83 4821.77 4822.01 4833.47 4849.22 4849.64 4858.45 4865.04 4883.98 4886.37 4895.81 5267.80 5355.76 5562.21 5908.57 0.565000 0.594074 0.595018 0.498557 -1576.593580 -1576.564506 -1576.563561 -1576.660023 3.235351D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE Cc1ccc2c(c1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)Cc5ccc(cc5)O)C(=O)N(C4=O)CCc6ccccc6)C(=O)N2 C12881498 RHF 6-31G(d) (6D,10F) C1 482.207982 |X|Y|Z| 71.174457 47.331376 111.371897 72.124526 31 6 7 28 3 |36.858105| |12.603103|36.858105| |7.550214|13.666376|36.858105| |4.991056|7.806315|13.732874|36.858105| |4.446036|6.868518|8.067739|13.841766|36.858105| |5.021145|7.941443|6.957984|7.909727|13.758752|36.858105| |7.533727|13.705884|7.971715|6.798920|7.934885|13.778576|36.858105| |3.690327|4.934774|4.509605|5.200588|8.127770|12.626063|7.224689|36.858105| |3.236297|4.001984|3.603258|3.941872|5.322196|7.102707|5.480986|12.212911|36.858105| |2.919475|3.581006|3.381292|3.811389|5.063324|5.928928|4.572412|8.791257|17.635301|0.500000| |2.770177|3.247728|2.919237|3.117414|3.960824|4.987259|4.241671|7.645203|12.368980|0.240052|36.858105| |2.416864|2.787756|2.571580|2.768988|3.434465|4.048625|3.475909|5.767634|8.668324|0.221321|17.600488|0.500000| |2.730005|3.225285|2.936736|3.173504|4.058614|5.004748|4.171453|7.741182|7.697927|0.166708|12.427006|0.246363|36.858105| |2.491093|2.955574|2.791125|3.104976|3.978981|4.558651|3.686226|6.937977|6.644726|0.163053|8.962618|0.227773|17.681210|0.500000| |3.365258|4.203818|3.755834|4.092712|5.552024|7.577486|5.834510|12.585998|7.926992|0.163754|8.036144|0.161775|12.566583|0.256605|53.358707| |3.200297|3.986320|3.704444|4.120135|5.475087|6.637709|5.173110|8.986756|5.799868|0.133192|5.848525|0.131069|9.090226|0.231847|25.651805|0.500000| |3.736457|4.565629|3.851897|3.962634|5.081439|7.297332|6.550656|9.152935|6.718354|0.138520|6.893548|0.139758|9.097818|0.182304|25.666299|0.329722|0.500000| |2.485010|2.809766|2.541052|2.661215|3.211959|3.839738|3.481703|4.995119|4.933552|0.114080|7.157779|0.168965|12.450237|0.245809|10.342753|0.188937|0.202050|36.858105| |2.379605|2.683401|2.478705|2.609294|3.088371|3.533139|3.212120|4.312061|3.878791|0.093632|4.811342|0.119259|7.558915|0.192848|8.783236|0.195997|0.171948|12.558822|36.858105| |2.504958|2.770673|2.530641|2.597707|2.985802|3.415630|3.251526|3.856864|3.374794|0.081380|3.906855|0.095578|5.426450|0.135174|7.539635|0.172555|0.164557|7.524673|13.671536|36.858105| |2.305130|2.523724|2.364296|2.432178|2.719057|2.976847|2.845081|3.229737|2.804145|0.069674|3.107982|0.078309|4.065555|0.108091|5.805859|0.137524|0.122697|4.999108|7.866522|13.793442|36.858105| |2.060799|2.274168|2.186758|2.298583|2.568050|2.720562|2.533797|2.992262|2.616559|0.066638|2.887445|0.074862|3.753256|0.106048|5.174689|0.124141|0.103415|4.413781|6.805399|7.952722|13.716131|36.858105| |1.986899|2.222343|2.150650|2.304253|2.629338|2.774733|2.511299|3.185282|2.826419|0.072760|3.194703|0.084595|4.276080|0.127837|5.520576|0.131981|0.105015|4.995821|7.877588|6.901245|7.933659|13.717683|36.858105| |2.113006|2.387877|2.275321|2.444726|2.869270|3.121883|2.780719|3.782984|3.414323|0.086402|4.083117|0.107673|5.956857|0.181080|6.948847|0.162024|0.128042|7.512928|13.700443|7.991514|6.887909|7.938383|13.770575|36.858105| |1.900087|2.070346|2.018816|2.112447|2.301029|2.382939|2.246694|2.544136|2.239423|0.057880|2.410768|0.063173|2.988164|0.084813|4.183391|0.098500|0.084173|3.367965|4.601753|5.293348|8.167346|14.200063|7.938727|5.224627|73.516695| |2.829016|3.165928|2.745688|2.796469|3.374288|4.297863|4.083903|5.508619|7.871745|0.164823|12.469185|0.250374|7.312751|0.152435|8.006975|0.125950|0.168180|6.152822|4.195154|3.650274|2.897084|2.617189|2.792526|3.449605|3.939045|36.858105| |2.535614|2.750414|2.402769|2.421884|2.839148|3.487290|3.407696|4.239498|5.330038|0.121999|7.863250|0.191472|6.080664|0.131872|6.527402|0.109291|0.140635|6.244919|4.214257|3.694431|2.914798|2.615841|2.777550|3.428637|3.934870|16.047554|73.516695| |3.232595|3.597986|3.036414|3.021415|3.598891|4.696509|4.700748|5.500489|8.086933|0.170978|8.083932|0.176462|5.356099|0.120425|6.995782|0.112240|0.151306|4.463766|3.400304|3.116663|2.562899|2.316766|2.421979|2.874830|3.563931|13.882624|14.872887|53.358707| |3.590474|4.253175|3.620544|3.689973|4.577083|6.197659|5.799015|7.284190|12.472231|0.249848|7.857673|0.171067|5.312697|0.125160|7.634594|0.121471|0.155748|4.063650|3.249238|2.976371|2.498972|2.291738|2.405182|2.823132|3.548174|8.274066|9.859595|18.854311|36.858105| |3.931723|4.630164|3.940139|3.918031|4.639626|5.965316|5.958345|5.921451|7.872267|0.196394|5.329651|0.126704|4.076222|0.100761|6.089433|0.102924|0.125516|3.276159|2.755901|2.589923|2.235326|2.062244|2.139486|2.445450|3.249451|5.549823|7.507283|11.376962|16.088637|73.516695| |3.117876|3.254281|2.731630|2.631989|2.977989|3.709046|3.970300|3.961068|5.047049|0.119620|5.051602|0.122890|3.873121|0.091072|5.160904|0.088010|0.114265|3.532567|2.830860|2.687849|2.263129|2.041358|2.098345|2.425401|3.195621|7.630303|11.776433|17.655822|7.618890|11.757789|36.858105| |3.576223|3.528887|2.850774|2.643616|2.909696|3.646400|4.216363|3.647490|4.150713|0.097810|4.107557|0.098284|3.495150|0.082032|4.928500|0.085955|0.114917|3.334838|2.777950|2.756857|2.332994|2.060907|2.066316|2.346370|3.245813|5.652943|9.467007|10.406280|5.692289|9.502063|12.446068|36.858105| |3.105296|2.936288|2.443682|2.253503|2.407887|2.874579|3.283780|2.838039|3.163899|0.078220|3.148786|0.078948|2.755566|0.066839|3.830434|0.069148|0.086976|2.693978|2.317599|2.322168|2.018358|1.801597|1.796800|2.003282|2.884040|4.062023|7.205292|6.778534|4.067336|7.190290|7.576894|12.585108|36.858105| |2.605374|2.477308|2.110204|1.970626|2.103272|2.465793|2.743619|2.484390|2.746976|0.068618|2.848077|0.072876|2.548073|0.062231|3.450577|0.063174|0.077826|2.581845|2.235062|2.247805|1.962415|1.752566|1.744103|1.937360|2.814318|3.654702|6.911963|5.586598|3.333249|5.726411|5.693221|7.551439|13.707709|36.858105| |2.307739|2.169126|1.882592|1.758016|1.849234|2.117598|2.337599|2.116351|2.312469|0.059021|2.373752|0.061894|2.151950|0.053598|2.915996|0.054260|0.064772|2.180952|1.929608|1.945981|1.732377|1.563607|1.553108|1.703081|2.541333|2.912861|5.466702|4.374872|2.739168|4.811727|4.185344|5.013479|7.901221|13.751843|36.858105| |2.325140|2.153401|1.879105|1.741564|1.807974|2.046778|2.272977|2.010799|2.185098|0.056469|2.182998|0.057096|1.975440|0.049712|2.713923|0.050745|0.059813|1.965158|1.757390|1.771760|1.594227|1.449392|1.439691|1.567816|2.371916|2.607747|4.742503|4.003860|2.604414|4.721811|3.776449|4.428385|6.831875|7.935494|13.750953|36.858105| |2.658605|2.433295|2.101882|1.926503|1.989322|2.261431|2.551020|2.183324|2.376360|0.061426|2.308167|0.059838|2.066004|0.051931|2.885282|0.053650|0.063631|2.011858|1.795469|1.806328|1.622805|1.475887|1.468015|1.601117|2.411874|2.742230|4.831009|4.377898|2.910563|5.443922|4.198482|5.013690|7.900590|6.886455|7.951181|13.749887|36.858105| |3.145261|2.894509|2.433689|2.216975|2.316381|2.701296|3.107660|2.594550|2.855737|0.072473|2.736878|0.069585|2.408826|0.059665|3.400029|0.062217|0.075870|2.313731|2.033800|2.040074|1.807386|1.631735|1.626205|1.791191|2.641629|3.333773|5.744266|5.592726|3.656520|6.890868|5.726153|7.552155|13.705894|7.961383|6.887167|7.936089|13.753166|36.858105| |3.094275|4.050890|4.130279|5.271327|8.346532|7.982011|5.070085|12.252956|7.493090|0.210527|5.617022|0.137471|6.054659|0.185388|10.500883|0.207846|0.159483|4.179317|3.892604|3.424133|3.022503|2.952162|3.233040|3.737736|4.536295|4.067205|5.947744|5.390125|4.952379|7.861697|3.070871|2.825828|2.317734|2.074092|1.812054|1.737787|1.872392|2.165861|36.858105| |2.601285|3.238275|3.292279|4.028685|5.537858|5.384609|3.900228|7.835364|6.357736|0.190812|5.535564|0.147092|6.175943|0.219311|8.846112|0.181597|0.135183|4.282208|4.013402|3.373991|3.000304|3.031499|3.466983|4.077830|4.635346|3.876592|5.817027|4.900140|4.257210|6.663070|2.824928|2.562723|2.136477|1.946542|1.711809|1.633774|1.740103|1.988366|15.991118|73.516695| |3.357547|4.575875|5.131775|7.603585|13.562807|8.339857|5.307434|8.153589|5.471316|0.155892|4.156425|0.103593|4.355080|0.127313|7.632299|0.159125|0.130612|3.330685|3.222214|2.989648|2.736480|2.672091|2.831401|3.114047|4.233686|3.324909|4.988248|4.616355|4.245280|7.312994|2.762617|2.613959|2.185537|1.944719|1.718709|1.670408|1.814471|2.086619|14.163281|14.800273|53.358707| |17.554445|8.856114|6.494952|4.515292|3.996831|4.385158|6.062780|3.342965|3.058266|0.078218|2.601089|0.063942|2.500240|0.063869|4.065302|0.078250|0.090222|2.269041|2.149704|2.229114|2.054888|1.860237|1.811102|1.928948|3.062582|2.679268|4.272276|4.246454|3.485135|7.065657|3.089398|3.505074|3.136757|2.599977|2.334534|2.404039|2.808188|3.309060|2.855397|4.316964|4.219821|0.500000| |17.582418|8.830853|5.583354|4.151731|3.967519|4.733364|7.186913|3.658378|3.278419|0.080439|2.883809|0.069244|2.840228|0.070643|4.726305|0.090450|0.110871|2.637135|2.502110|2.666139|2.420093|2.126737|2.038083|2.181417|3.461928|3.040821|4.896945|4.747129|3.719541|7.052867|3.437276|4.169456|3.579030|2.969382|2.587817|2.580180|2.949359|3.555828|2.977964|4.507854|4.231393|0.302156|0.500000| |17.575839|8.840406|6.923997|4.645721|3.983210|4.246775|5.729900|3.230037|2.809042|0.071318|2.460905|0.060385|2.477896|0.063622|4.118767|0.082172|0.092374|2.294210|2.248250|2.399510|2.257602|2.024455|1.929140|2.017702|3.364396|2.487375|4.030775|3.759186|3.015302|5.744924|2.669045|3.033372|2.706290|2.336352|2.103585|2.119988|2.383791|2.739424|2.813841|4.267489|4.201171|0.302075|0.302054|0.500000| |7.043756|8.933775|17.716785|8.978893|5.714823|4.995920|5.666185|3.596323|3.004647|0.079555|2.508391|0.062437|2.522815|0.067137|4.236822|0.086176|0.088818|2.233922|2.200241|2.263580|2.150625|2.001734|1.955647|2.040935|3.336204|2.392028|3.788176|3.580233|3.052855|5.927964|2.429846|2.555551|2.253169|1.963220|1.777063|1.790453|2.001162|2.278685|3.394734|5.003482|5.625879|0.179754|0.141655|0.203758|0.500000| |4.079441|5.585402|8.873644|17.735831|8.881285|5.622049|4.914902|4.247048|3.371920|0.093313|2.744367|0.069337|2.805420|0.077930|4.725268|0.098947|0.092203|2.387442|2.371896|2.354501|2.246620|2.162643|2.174297|2.272346|3.586294|2.457326|3.838107|3.564332|3.133787|5.896516|2.312670|2.307023|2.006746|1.776732|1.603573|1.594580|1.753577|1.987412|4.634551|6.635026|9.187516|0.105968|0.095757|0.110077|0.215877|0.500000| |7.003167|8.933651|5.660595|4.912147|5.632949|8.877488|17.699262|6.468727|5.516866|0.122737|4.517919|0.100733|4.338868|0.102275|7.934613|0.137411|0.198994|3.733136|3.339568|3.410594|2.909362|2.539671|2.505963|2.808966|3.971378|4.692760|6.957580|7.609538|6.408231|11.181212|4.782993|5.401195|3.952139|3.222428|2.669964|2.561450|2.883032|3.618838|4.400733|6.325649|5.853338|0.160002|0.219867|0.146766|0.124497|0.106855|0.500000| |2.626583|2.907336|2.560292|2.609347|3.093885|3.792825|3.621478|4.673867|4.715328|0.106754|6.579157|0.149834|8.814933|0.173560|9.246069|0.162662|0.210045|17.599288|8.866042|7.241638|4.755254|3.968868|4.178643|5.588371|5.546520|6.838834|13.361915|6.693082|4.212455|6.026217|3.977384|3.874806|3.068754|2.960389|2.448339|2.170595|2.210696|2.566192|3.728328|6.512061|4.195714|0.066396|0.079191|0.066920|0.062665|0.064472|0.112559|0.500000| |2.207078|2.460787|2.253751|2.363890|2.809706|3.264147|2.976795|4.173274|4.402375|0.106544|6.554702|0.175587|8.990352|0.214013|7.576277|0.141176|0.145842|17.573601|8.813593|5.751778|4.236142|3.948527|4.620801|6.835748|5.506342|5.802153|11.278205|5.629719|3.697691|5.354687|3.357444|3.086015|2.556518|2.494868|2.127959|1.910099|1.936061|2.200313|3.670821|6.935567|4.024978|0.056844|0.064751|0.056816|0.055705|0.059755|0.088159|0.306255|0.500000| |2.718506|2.952188|2.621023|2.622237|2.984664|3.512755|3.489433|3.850875|3.416082|0.080948|3.921341|0.093871|5.139005|0.121418|7.414601|0.158282|0.178086|6.970471|8.884037|17.679726|8.990192|5.664150|4.964354|5.659198|7.610925|3.881617|7.076026|4.565401|3.131072|4.843035|2.935193|3.105960|2.590176|2.509982|2.145747|1.936446|1.971290|2.242681|3.264755|5.561451|3.935173|0.066669|0.082256|0.071918|0.065065|0.065239|0.105190|0.221262|0.147763|0.500000| |2.314240|2.482992|2.320402|2.343927|2.558311|2.784732|2.736905|2.911683|2.537774|0.063295|2.749422|0.069302|3.434638|0.090495|5.029739|0.116360|0.109180|4.074307|5.605640|8.882009|17.743584|8.953358|5.655781|4.962021|13.343151|2.629069|4.714887|3.240319|2.320272|3.746055|2.145662|2.254669|1.975279|1.927316|1.712550|1.579766|1.604939|1.777776|2.710244|4.705618|3.430405|0.057063|0.067814|0.063822|0.059302|0.060302|0.077954|0.112861|0.097873|0.215676|0.500000| |1.820714|2.031360|1.994396|2.152801|2.432605|2.510204|2.263874|2.859723|2.572082|0.067657|2.863621|0.077586|3.673259|0.112923|4.717898|0.110710|0.088922|4.079778|5.622003|4.965602|5.638531|8.893028|17.703035|8.924870|12.695509|2.498231|4.406418|2.983635|2.194509|3.507011|1.914002|1.871383|1.645140|1.599358|1.436810|1.339220|1.364958|1.502075|2.997940|5.833361|3.619699|0.046490|0.051456|0.049294|0.050784|0.057239|0.062214|0.096170|0.109366|0.107702|0.124271|0.500000| |1.997406|2.263649|2.175120|2.362334|2.789528|3.001501|2.634628|3.727201|3.492987|0.090571|4.259186|0.117878|6.030327|0.202542|6.494598|0.144675|0.115857|6.941183|8.886726|5.656575|4.958075|5.659217|8.983395|17.691287|7.501374|3.480644|6.118319|3.909182|2.834581|4.349340|2.406335|2.274033|1.948768|1.884262|1.662068|1.533963|1.567173|1.749359|3.807154|7.771573|4.229497|0.051221|0.056919|0.052720|0.054256|0.061426|0.073572|0.140547|0.198011|0.123955|0.107653|0.217366|0.500000| |1.770697|1.933063|1.903357|2.008940|2.186278|2.236499|2.090196|2.402802|2.135468|0.055860|2.295901|0.061000|2.815521|0.081536|3.874396|0.090525|0.076718|3.120459|4.137742|4.430568|6.054290|9.977102|7.715397|4.961904|35.728231|2.093912|3.713563|2.579859|1.894915|3.093540|1.700175|1.710511|1.527050|1.491355|1.352899|1.266402|1.287341|1.404966|2.459069|4.539726|3.125430|0.044936|0.050102|0.048938|0.049312|0.053783|0.057432|0.079319|0.081492|0.101163|0.152462|0.227181|0.116542|0.500000| |3.079958|3.200954|2.726280|2.624302|2.927405|3.552207|3.789313|3.693477|4.712409|0.117978|4.392428|0.110850|3.392396|0.082476|4.591519|0.079694|0.099056|3.036220|2.502405|2.377531|2.042764|1.867047|1.922532|2.195181|2.954239|5.813202|8.900150|12.574722|7.309982|13.137790|17.647807|8.806641|6.863555|5.046162|3.983818|3.810137|4.434288|6.070274|2.952328|4.816151|3.689252|0.087313|0.092198|0.072973|0.067869|0.064451|0.121952|0.091882|0.080830|0.071050|0.054022|0.049231|0.060949|0.043908|0.500000| |2.670022|2.768616|2.380735|2.319871|2.611862|3.161709|3.299571|3.457010|4.367680|0.106618|4.745118|0.121383|3.679626|0.087400|4.665834|0.080881|0.101804|3.492236|2.773156|2.608812|2.198096|1.993389|2.060487|2.388895|3.121396|7.359339|13.223299|12.579078|5.787703|8.874405|17.650304|8.811325|6.893609|6.037466|4.428165|3.824185|4.015464|5.100148|2.779566|4.671910|3.378389|0.073323|0.081265|0.064983|0.059534|0.057489|0.107213|0.109638|0.095412|0.078728|0.057748|0.052376|0.066338|0.046283|0.301421|0.500000| |3.436869|3.415309|2.765386|2.581155|2.862763|3.607612|4.130431|3.684745|4.064633|0.094069|4.266051|0.100517|3.786943|0.086960|5.295483|0.092357|0.127745|3.783816|3.120436|3.142115|2.605430|2.258122|2.246436|2.567282|3.522458|6.010897|10.791573|9.549534|5.125011|8.086346|8.881726|17.546297|8.889102|7.154637|4.729567|3.976860|4.211029|5.660675|2.838452|4.610816|3.529151|0.090548|0.112808|0.082587|0.068752|0.062634|0.148576|0.128103|0.095922|0.101155|0.069960|0.055867|0.068213|0.051177|0.173731|0.212190|0.500000| |4.460872|4.326136|3.341238|3.011100|3.281067|4.200307|5.203364|3.955708|4.319386|0.101272|3.990363|0.094058|3.463377|0.081854|5.162860|0.090223|0.121741|3.212233|2.740764|2.751911|2.350960|2.074290|2.066159|2.325422|3.280342|5.059719|8.018400|9.506310|6.061762|10.869141|8.883710|17.543630|8.895655|5.673056|4.216787|3.978504|4.726170|7.139844|3.012315|4.735081|3.874650|0.121626|0.148612|0.100869|0.082351|0.071750|0.195793|0.101628|0.080950|0.085954|0.063456|0.051988|0.062252|0.047925|0.212993|0.173779|0.301677|0.500000| |2.490587|2.409017|2.060110|1.943768|2.096617|2.468413|2.707375|2.538492|2.806895|0.069475|3.016184|0.077130|2.726733|0.065989|3.621475|0.066215|0.082102|2.840870|2.432303|2.444938|2.110172|1.872178|1.863949|2.085017|2.985532|3.956235|7.888269|5.727413|3.318908|5.510345|5.559383|7.001788|8.903147|17.692742|8.931534|5.648003|4.957087|5.650795|2.114062|3.555783|2.664399|0.067816|0.078761|0.062485|0.052970|0.048699|0.088466|0.092344|0.076742|0.076475|0.057363|0.047226|0.056169|0.043839|0.129014|0.173857|0.214998|0.143861|0.500000| |2.073064|1.961320|1.721603|1.619201|1.702954|1.933096|2.107753|1.948130|2.116417|0.054296|2.204495|0.058049|2.024273|0.050725|2.714528|0.050921|0.059984|2.083005|1.856739|1.875226|1.678979|1.519708|1.508036|1.646954|2.478575|2.673241|5.113589|3.886187|2.444984|4.249818|3.563841|4.091591|5.633058|8.925790|17.720897|8.912777|5.650048|4.959644|1.687363|2.858697|2.173967|0.057849|0.064090|0.053141|0.045296|0.041281|0.066149|0.064795|0.056996|0.057251|0.046200|0.038845|0.044667|0.036706|0.093482|0.107158|0.112269|0.097144|0.215937|0.500000| |2.095689|1.940828|1.716939|1.596569|1.646665|1.839592|2.025099|1.807028|1.949464|0.050875|1.948758|0.051432|1.779705|0.045212|2.439698|0.046018|0.053368|1.775862|1.604854|1.619489|1.471386|1.345765|1.335760|1.444838|2.216635|2.283140|4.159359|3.445748|2.279685|4.141133|3.132728|3.543137|4.931131|5.644133|8.910837|17.724002|8.910469|5.644398|1.584160|2.661804|2.082266|0.060337|0.063825|0.053756|0.045812|0.040930|0.062440|0.054004|0.048193|0.048844|0.040616|0.034682|0.039333|0.032967|0.088407|0.088689|0.090525|0.090556|0.124214|0.214731|0.500000| |2.579057|2.341964|2.049283|1.872717|1.909929|2.138105|2.404923|2.043376|2.205375|0.057734|2.113032|0.055113|1.901153|0.048278|2.670790|0.050032|0.058392|1.838059|1.657174|1.667042|1.511847|1.383993|1.376580|1.491892|2.275384|2.448211|4.266314|3.889954|2.670910|5.092665|3.578296|4.091725|5.632541|4.959234|5.650060|8.912394|17.720392|8.925482|1.776478|2.933934|2.369008|0.077118|0.078032|0.064709|0.054796|0.047673|0.074023|0.055442|0.049161|0.050147|0.041613|0.035727|0.040644|0.033829|0.107576|0.094282|0.096996|0.112136|0.107598|0.124145|0.214726|0.500000| 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