Version2.1 2021-01-10T04:32:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3ccc4c(c3)CCCN4C C39672133 RHF 6-31G(d) (6D,7F) CCC[C@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3ccc4c(c3)CCCN4C C01[X(C26H41N4O2)] 213 C1 562 CCC[C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc2c(c1)CCCN2C)C CCC[C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc2c(c1)CCCN2C)C CCC[C@H](C)C(=O)N1C[C@H](C(=O)NCc2ccc3N(C)CCCc3c2)C4(CC[NH2+]CC4)C1 InChIKey=WRGHXKUSNUIYLO-SIKLNZKXSA-O InChI=1S/C26H40N4O2/c1-4-6-19(2)25(32)30-17-22(26(18-30)10-12-27-13-11-26)24(31)28-16-20-8-9-23-21(15-20)7-5-14-29(23)3/h8-9,15,19,22,27H,4-7,10-14,16-18H2,1-3H3,(H,28,31)/p+1/t19-,22+/m0/s1 InChI=1/C26H40N4O2/c1-4-6-19(2)25(32)30-17-22(26(18-30)10-12-27-13-11-26)24(31)28-16-20-8-9-23-21(15-20)7-5-14-29(23)3/h8-9,15,19,22,27H,4-7,10-14,16-18H2,1-3H3,(H,28,31)/p+1/t19-,22+/m0/s1/fC26H41N4O2/h27-28H/q+1 CCC[C@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3ccc4c(c3)CCCN4C C01[X(C26H41N4O2)] 213 C01 562 CCC[C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc2c(c1)CCCN2C)C CCC[C@@H](C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C]1[CH][CH][C]2[C]([CH]1)CCCN2C)=O)C CCC[C@H](C)C(=O)N1C[C@H](C(=O)NC[C]2[CH][CH][C]3[C]([CH]2)CCCN3C)C4(CC[NH2]CC4)C1 InChIKey=FQAUWHVAUUBZKE-SIKLNZKXSA-N InChI=1S/C26H41N4O2/c1-4-6-19(2)25(32)30-17-22(26(18-30)10-12-27-13-11-26)24(31)28-16-20-8-9-23-21(15-20)7-5-14-29(23)3/h8-9,15,19,22H,4-7,10-14,16-18,27H2,1-3H3,(H,28,31)/t19-,22+/m0/s1 InChI=1/C26H41N4O2/c1-4-6-19(2)25(32)30-17-22(26(18-30)10-12-27-13-11-26)24(31)28-16-20-8-9-23-21(15-20)7-5-14-29(23)3/h8-9,15,19,22H,4-7,10-14,16-18,27H2,1-3H3,(H,28,31)/t19-,22+/m0/s1/f/h28H 3257.0142719934 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8.8532 2.4951 2.8011 0.5899 1.8525 1.9971 10.0368 8.6426 0.3597 1.7995 8.0407 0.5386 3.5958 1.6084 11.0395 7.5986 15.9611 30.2815 6.1931 4.8127 4.7722 8.8485 29.5567 22.9145 6.3541 7.5013 0.4610 4.6820 6.1159 16.7888 12.0175 4.0736 39.7845 7.6943 3.4164 5.9409 165.0289 5.4055 8.6013 10.9371 76.5860 112.1398 45.5278 44.0841 112.4713 31.4729 137.7110 49.9554 85.8186 47.3797 74.4269 98.5174 68.5705 83.0267 51.5437 75.9981 39.9433 36.8546 136.0572 18.9911 43.8462 98.7584 60.9347 97.4362 71.6063 109.7108 70.5628 35.6103 40.0508 67.6098 126.1981 50.6342 47.4177 64.5447 58.3176 42.0689 84.1057 87.1786 69.5844 59.5123 27.9191 0.7495 0.7495 0.7203 0.7311 0.7479 0.7374 0.6851 0.7031 0.6493 0.6612 0.7210 0.5931 0.7276 0.4022 0.3783 0.5917 0.6567 0.2890 0.2350 0.7210 0.5740 0.7394 0.6925 0.2333 0.1523 0.2345 0.5295 0.1063 0.3551 0.6356 0.3538 0.2122 0.2213 0.1480 0.7009 0.2381 0.4287 0.7282 0.7488 0.6741 0.6359 0.5142 0.7360 0.5764 0.5662 0.1810 0.2176 0.2549 0.1523 0.4951 0.3042 0.2400 0.6599 0.3448 0.1056 0.0849 0.4292 0.1704 0.5295 0.0839 0.0967 0.6089 0.6546 0.4816 0.1759 0.3444 0.6219 0.2053 0.5768 0.3050 0.2564 0.7494 0.5296 0.7224 0.4327 0.1997 0.7069 0.6617 0.6459 0.7485 0.5025 0.5857 0.5114 0.4456 0.4010 0.3911 0.4064 0.6956 0.7378 0.5771 0.3166 0.7420 0.5596 0.2173 0.6902 0.2385 0.3032 0.7029 0.2788 0.7293 0.6886 0.6684 0.6937 0.7461 0.2388 0.4284 0.6362 0.3084 0.5856 0.4650 0.5382 0.0951 0.4232 0.3479 0.6576 0.3908 0.6758 0.5864 0.7283 0.3102 0.7064 0.5761 0.5719 0.7378 0.7497 0.7459 0.6639 0.3509 0.7339 0.6974 0.3448 0.5870 0.6351 0.5329 0.7363 0.6460 0.6132 0.5994 0.4995 0.6118 0.2136 0.6957 0.2751 0.6775 0.5998 0.2533 0.7354 0.7499 0.7303 0.7118 0.7014 0.7406 0.5448 0.7498 0.7400 0.7491 0.7486 0.7370 0.6727 0.7284 0.6809 0.7190 0.5661 0.7487 0.4760 0.7098 0.5297 0.2672 0.4830 0.7228 0.3806 0.3170 0.3316 0.1398 0.3395 0.4231 0.1766 0.2511 0.0150 0.2011 0.2954 0.1672 0.1519 0.2579 0.6086 0.3227 0.0357 0.0174 0.1955 0.6104 0.4868 0.3923 0.7321 0.2496 0.1511 0.6052 0.1176 0.0878 0.5622 0.7481 0.5846 0.1340 0.5019 0.7339 0.7491 0.3015 0.7214 0.7480 0.3274 0.2296 0.1152 0.6056 0.1414 0.8568 0.8568 0.8374 0.8447 0.8558 0.8488 0.8131 0.8257 0.7873 0.7961 0.8379 0.7446 0.8423 0.5737 0.5489 0.7435 0.7928 0.4484 0.3806 0.8379 0.7294 0.8502 0.8183 0.3784 0.2644 0.3800 0.6924 0.1921 0.5241 0.7772 0.5227 0.3501 0.3624 0.2579 0.8242 0.3846 0.6002 0.8427 0.8564 0.8053 0.7775 0.6792 0.8479 0.7313 0.7230 0.3066 0.3574 0.4062 0.2643 0.6623 0.4665 0.3872 0.7951 0.5128 0.1910 0.1564 0.6006 0.2912 0.6924 0.1548 0.1764 0.7569 0.7913 0.6501 0.2992 0.5123 0.7669 0.3407 0.7316 0.4674 0.4081 0.8568 0.6925 0.8388 0.6040 0.3329 0.8283 0.7964 0.7849 0.8562 0.6689 0.7387 0.6767 0.6165 0.5725 0.5623 0.5779 0.8205 0.8491 0.7319 0.4809 0.8519 0.7176 0.3571 0.8167 0.3851 0.4653 0.8256 0.4360 0.8435 0.8156 0.8012 0.8191 0.8546 0.3855 0.5998 0.7776 0.4714 0.7386 0.6348 0.6998 0.1736 0.5947 0.5162 0.7935 0.5619 0.8065 0.7393 0.8428 0.4735 0.8280 0.7311 0.7276 0.8491 0.8570 0.8545 0.7980 0.5195 0.8465 0.8218 0.5128 0.7398 0.7768 0.6953 0.8481 0.7849 0.7602 0.7496 0.6662 0.7592 0.3520 0.8205 0.4316 0.8078 0.7498 0.4043 0.8475 0.8571 0.8442 0.8317 0.8245 0.8510 0.7053 0.8570 0.8505 0.8566 0.8562 0.8486 0.8043 0.8428 0.8102 0.8365 0.7229 0.8563 0.6450 0.8303 0.6926 0.4218 0.6514 0.8391 0.5513 0.4814 0.4981 0.2454 0.5069 0.5946 0.3002 0.4013 0.0295 0.3349 0.4561 0.2866 0.2637 0.4101 0.7567 0.4879 0.0690 0.0341 0.3271 0.7581 0.6548 0.5636 0.8453 0.3995 0.2626 0.7541 0.2105 0.1614 0.7197 0.8559 0.7378 0.2364 0.6683 0.8466 0.8566 0.4633 0.8382 0.8558 0.4933 0.3734 0.2066 0.7544 0.2478 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 60 61 62 63 64 65 66 67 68 69 70 71 72 73 6 6 6 6 1 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 6 6 6 6 6 6 6 6 7 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 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11085.7480 31849.8202 39935.3643 0.99999 -0.00298 -0.00350 0.00300 0.99998 0.00596 0.00348 -0.00597 0.99998 1 0.00781 0.00272 0.00217 0.16280 0.05666 0.04519 4.60 16.93 24.11 36.71 41.32 49.58 64.81 92.83 109.34 113.01 120.31 134.96 153.94 184.86 208.98 229.53 254.69 271.60 282.92 299.58 312.71 324.60 333.56 353.54 361.56 383.29 393.46 397.21 428.08 457.67 474.58 482.95 493.61 515.89 539.70 553.16 563.00 621.40 641.61 669.16 677.10 704.36 709.90 724.12 741.34 756.74 766.31 817.48 822.46 879.76 929.00 972.54 994.68 1064.75 1075.37 1122.13 1130.59 1154.20 1176.73 1188.04 1217.10 1237.78 1251.89 1260.54 1290.04 1330.85 1333.67 1350.08 1367.86 1370.32 1377.61 1386.16 1402.13 1428.04 1439.88 1466.64 1488.47 1512.70 1532.66 1539.48 1541.46 1555.37 1576.07 1580.29 1589.02 1599.89 1611.51 1613.94 1629.02 1637.58 1651.19 1651.65 1660.88 1708.76 1734.02 1741.16 1745.85 1770.47 1772.79 1780.00 1794.67 1806.91 1831.34 1843.35 1871.59 1879.40 1891.50 1893.82 1907.42 1929.93 1934.41 1936.51 1955.95 1972.39 1977.57 1981.36 2004.35 2020.29 2029.61 2043.28 2078.42 2082.60 2085.65 2091.84 2093.63 2102.14 2118.94 2128.37 2141.38 2160.08 2161.76 2181.46 2189.83 2193.27 2208.54 2226.14 2228.63 2240.05 2250.53 2251.71 2253.87 2256.62 2271.06 2277.44 2284.96 2299.58 2333.89 2334.64 2344.04 2349.98 2350.71 2358.97 2360.74 2363.57 2364.81 2366.50 2366.95 2371.57 2382.99 2388.57 2392.92 2394.43 2404.28 2417.18 2428.85 2433.57 2446.21 2542.27 2614.41 2628.57 2764.11 2777.62 4529.36 4571.56 4574.70 4592.42 4595.47 4597.87 4607.26 4619.01 4628.71 4629.73 4632.92 4642.83 4657.22 4660.73 4669.86 4672.82 4676.73 4692.86 4695.71 4702.63 4703.94 4705.62 4708.34 4710.23 4719.70 4724.96 4726.84 4730.62 4736.77 4764.67 4765.32 4769.34 4775.57 4798.42 4799.58 4815.27 4815.64 4918.39 5273.51 5366.98 5595.32 0.703602 0.734213 0.735157 0.635627 -1375.111841 -1375.081230 -1375.080286 -1375.179816 3.338253D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE CCC[C@H](C)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc3ccc4c(c3)CCCN4C C39672133 RHF 6-31G(d) (6D,10F) C1 441.322952 |X|Y|Z| 129.995611 74.996887 32.063299 67.867217 23 6 7 19 4 |36.858105| |12.462112|36.858105| |7.501728|12.444477|36.858105| |4.838948|7.368116|12.334853|36.858105| |4.559621|6.868538|8.861944|17.553485|0.500000| |4.156538|6.012573|7.420664|12.434856|0.247272|36.858105| |3.806040|4.914220|7.693844|12.521268|0.246701|7.642361|36.858105| |3.415106|4.176380|6.115322|7.983766|0.164057|6.728725|15.840340|73.516695| |3.357644|4.111134|5.752720|7.682966|0.205685|5.208770|13.958562|15.238512|53.358707| |3.342634|4.058692|5.152744|6.362813|0.208089|4.420544|7.502791|9.395978|17.786942|36.858105| |2.751709|3.131408|3.788076|4.283980|0.129795|3.314763|5.179517|7.509371|11.097147|12.409435|36.858105| |2.832672|3.120266|3.784891|3.996363|0.116889|3.082495|4.789358|7.165695|9.504674|8.930227|17.537400|0.500000| |2.447461|2.781242|3.410314|3.978437|0.113737|3.249440|5.251592|8.237815|11.047412|7.851049|12.261678|0.248807|36.858105| |2.773628|3.199003|4.196144|4.988190|0.131856|3.934363|7.846383|12.640000|17.895766|7.880976|8.077926|0.202885|12.374190|36.858105| |2.215337|2.551671|3.030707|3.684858|0.107620|3.201882|4.614367|7.390534|8.498525|6.173107|7.360510|0.152072|12.321916|7.518277|36.858105| |1.970569|2.236535|2.633650|3.139456|0.088125|2.876329|3.923249|6.832990|6.461026|4.296354|4.827184|0.113192|7.451741|6.043458|12.504906|36.858105| |1.805904|1.998822|2.326401|2.649012|0.073920|2.413531|3.242202|5.727442|5.288025|3.624185|4.354788|0.108687|6.466019|5.085980|7.690329|12.625803|53.358707| |1.683728|1.852474|2.139125|2.416678|0.066763|2.250322|2.919615|5.284451|4.567380|3.090485|3.559971|0.091026|4.911139|4.256621|5.675161|9.151693|25.688048|0.500000| |1.727482|1.903557|2.180910|2.464100|0.069900|2.243756|2.928060|5.067858|4.780903|3.449156|4.239719|0.105251|5.815464|4.353392|7.075257|9.201332|25.668227|0.328093|0.500000| |1.913507|2.090745|2.469504|2.735736|0.075285|2.424976|3.421890|6.080045|5.708626|3.840548|4.854252|0.129336|7.455953|5.974270|6.485330|7.596514|17.233213|0.254717|0.255622|36.858105| |2.136469|2.342628|2.790033|3.076684|0.086438|2.612138|3.856307|6.470471|6.982148|5.013875|7.470321|0.200582|12.395613|7.408930|7.587661|6.493374|10.478641|0.157757|0.196386|12.500307|36.858105| |2.440456|2.734564|3.103173|3.450897|0.107837|2.815768|3.818557|5.731555|7.012486|7.471359|12.492883|0.246615|7.266407|5.022071|6.185235|4.221991|5.356346|0.090472|0.114157|4.108048|5.843647|36.858105| |2.271240|2.576545|2.868354|3.284787|0.104243|2.776799|3.553643|5.383341|6.241319|6.276840|7.993145|0.163100|6.153347|4.399520|6.508203|4.389749|5.350517|0.090972|0.116894|3.800034|4.938987|15.782384|73.516695| |2.332484|2.526880|2.796993|2.957000|0.090699|2.444490|3.189855|4.914008|5.522945|5.409020|7.842735|0.213598|5.280898|4.027829|4.440279|3.384238|4.548787|0.079014|0.097953|3.602804|4.972942|14.244243|15.140336|53.358707| |2.074849|2.221391|2.377564|2.496623|0.076658|2.133250|2.611679|4.098735|4.289264|3.987453|4.988788|0.134227|3.874917|3.105927|3.570347|2.869254|3.893234|0.069352|0.085623|2.972464|3.774451|7.756747|12.150528|17.677828|36.858105| |1.983905|2.066336|2.181931|2.220389|0.066966|1.911211|2.302932|3.672163|3.677664|3.274860|3.935618|0.113690|3.180525|2.682079|2.872443|2.413629|3.342752|0.060773|0.072630|2.609989|3.221435|5.132452|7.963853|10.618865|12.639836|36.858105| |1.785217|1.842498|1.955296|1.983329|0.058747|1.729626|2.084777|3.389688|3.297491|2.816694|3.410533|0.100004|2.924392|2.478195|2.644984|2.295743|3.278131|0.060183|0.071764|2.585852|3.119164|4.178477|6.597764|7.874108|7.544223|13.756198|36.858105| |1.692667|1.717748|1.803721|1.799957|0.052812|1.582543|1.876094|3.081143|2.906045|2.427040|2.836058|0.084314|2.480937|2.177093|2.246027|1.992785|2.847749|0.053108|0.061549|2.256796|2.646518|3.278026|5.242234|5.763251|5.013973|7.901072|13.788630|36.858105| |1.752195|1.755454|1.815353|1.784704|0.052457|1.568428|1.828977|2.993983|2.795170|2.340154|2.644049|0.078914|2.281624|2.051818|2.065352|1.829290|2.568938|0.048131|0.054820|2.029641|2.368011|2.998473|4.809195|5.164431|4.394901|6.736971|7.858550|13.612061|36.858105| |1.942009|1.948822|1.994681|1.953655|0.058146|1.701601|1.972212|3.184210|3.017542|2.587125|2.869969|0.085202|2.397370|2.163211|2.168752|1.886878|2.598134|0.048398|0.055171|2.039581|2.410472|3.304331|5.277543|5.767544|4.997412|7.821706|6.858623|7.916977|13.519489|36.858105| |2.081703|2.133423|2.203460|2.193323|0.066306|1.887278|2.219156|3.529203|3.464898|3.076904|3.476625|0.101725|2.796163|2.461106|2.525894|2.141874|2.919729|0.053694|0.062344|2.279024|2.759882|4.245060|6.682206|7.927645|7.550643|13.710352|8.040518|6.952681|7.909460|13.779181|36.858105| |1.975467|1.948137|1.949077|1.878584|0.055821|1.647946|1.859406|3.008025|2.784373|2.360849|2.513755|0.074222|2.119029|1.964187|1.932687|1.695721|2.308367|0.043355|0.048540|1.801926|2.094784|2.800067|4.550981|4.607771|3.791694|5.001252|4.437835|4.998048|7.478389|12.565620|7.599315|36.858105| |1.832963|1.779574|1.781456|1.700793|0.049789|1.505414|1.692173|2.774717|2.505332|2.069990|2.200515|0.065558|1.902530|1.788364|1.731760|1.545873|2.123518|0.040221|0.044455|1.668119|1.909397|2.378966|3.872380|3.824127|3.035745|3.864649|3.748624|4.500308|6.703547|7.588145|5.040486|12.502752|36.858105| |1.623525|1.591308|1.608261|1.554836|0.045337|1.388066|1.564420|2.585998|2.322583|1.901197|2.052804|0.060767|1.809196|1.683999|1.660610|1.497942|2.082286|0.039602|0.043897|1.631291|1.848337|2.236600|3.675904|3.593852|2.910101|3.752389|3.925393|5.115591|7.811162|6.747774|4.534814|7.658413|12.534664|36.858105| |1.631347|1.614061|1.657099|1.614730|0.047029|1.433495|1.648408|2.726185|2.479508|2.033519|2.253287|0.067237|1.987815|1.823246|1.809511|1.629754|2.293203|0.043431|0.048625|1.811271|2.068567|2.477546|4.023981|4.080112|3.329175|4.518992|5.155338|7.841031|13.721923|7.831290|5.171798|6.555864|7.799087|13.110140|53.358707| |1.468697|1.457074|1.502986|1.473634|0.042641|1.320723|1.515680|2.531672|2.271627|1.834624|2.041209|0.060514|1.846204|1.692505|1.695212|1.550533|2.207533|0.042127|0.046974|1.740037|1.952520|2.227334|3.659737|3.591105|2.906934|3.750743|4.521615|6.720267|7.797958|5.100732|3.931920|4.403632|5.071296|7.760266|17.926130|36.858105| |17.562556|8.785479|5.468868|4.015483|0.108965|3.642413|3.205061|5.167660|3.925861|2.925500|2.454117|0.069625|2.189356|2.425296|2.015157|1.802604|2.256354|0.043111|0.044338|1.740652|1.930671|2.235287|3.744695|2.932620|1.954643|1.881180|1.693599|1.615803|1.684611|1.872266|1.992154|1.931123|1.795948|1.586645|2.147790|1.420397|0.500000| |17.546042|8.775484|6.807997|4.466265|0.111564|3.997908|3.676703|6.124601|4.328866|3.048649|2.562161|0.073705|2.339270|2.694054|2.114760|1.913453|2.399744|0.045972|0.046571|1.876896|2.067055|2.252093|3.727233|2.930743|1.914918|1.839013|1.677109|1.597759|1.645704|1.800057|1.913005|1.823018|1.713541|1.531248|2.100341|1.400859|0.301874|0.500000| |17.535426|8.764179|6.787881|4.501359|0.120984|3.685306|3.733526|5.887200|4.682691|3.514722|2.939482|0.086013|2.554924|2.865959|2.265887|1.996978|2.517165|0.047643|0.049314|1.982982|2.246976|2.604164|4.229470|3.445993|2.236068|2.161506|1.936206|1.841306|1.919904|2.142778|2.292037|2.187777|2.027825|1.775157|2.427767|1.591737|0.301780|0.301626|0.500000| |8.887825|17.559059|8.825337|6.673659|0.168634|6.639773|4.479696|7.066833|4.983288|3.531242|2.778756|0.075848|2.542169|2.916069|2.393716|2.136176|2.585015|0.049316|0.050176|1.960864|2.155486|2.459854|4.201921|3.079989|2.017521|1.874082|1.684762|1.574349|1.603510|1.766615|1.924074|1.767654|1.623777|1.464576|2.017748|1.348514|0.213979|0.211067|0.173193|0.500000| |8.855130|17.504175|8.844044|6.837501|0.208992|5.473458|4.604671|6.736668|5.564768|4.330844|3.285527|0.089587|2.831760|3.146140|2.624839|2.258657|2.738044|0.051479|0.053732|2.086231|2.365583|2.943762|4.968928|3.696709|2.403918|2.217995|1.947449|1.804963|1.852467|2.084855|2.308919|2.090956|1.881080|1.671843|2.300905|1.515294|0.212635|0.172915|0.210720|0.303926|0.500000| |7.016896|8.897796|17.487695|8.815156|0.210485|5.458328|7.257906|10.069548|8.506250|5.853546|4.327182|0.125186|3.726244|4.569503|3.161357|2.698495|3.298765|0.061309|0.063317|2.630822|3.056973|3.450321|5.477126|4.290135|2.619351|2.417809|2.154460|1.983750|2.000406|2.208612|2.449507|2.146545|1.955584|1.752653|2.470661|1.634065|0.142233|0.173349|0.208573|0.173928|0.210440|0.500000| |6.812158|8.825984|17.540785|8.857686|0.174302|6.874075|7.019501|11.601334|6.904795|4.283336|3.358310|0.094531|3.163874|3.989925|2.815163|2.526497|3.068337|0.058246|0.058196|2.409269|2.657920|2.754275|4.537897|3.414331|2.148563|1.993688|1.815861|1.688863|1.694984|1.838381|2.004191|1.797304|1.665900|1.514515|2.125526|1.428052|0.139840|0.202172|0.166854|0.212378|0.173378|0.304176|0.500000| |4.025671|5.413192|6.795950|8.793985|0.173796|17.606040|6.904912|12.784843|6.344074|3.820799|3.006749|0.079387|3.023925|3.744769|2.941403|2.729705|3.167354|0.060989|0.059600|2.361251|2.495853|2.542318|4.413968|3.050568|1.960838|1.779075|1.629195|1.501926|1.487728|1.600341|1.756085|1.552369|1.433078|1.325790|1.863972|1.268177|0.097403|0.113464|0.098366|0.169141|0.129063|0.140770|0.206018|0.500000| |4.416675|6.608464|6.690036|8.794814|0.215112|17.593487|5.534680|8.725037|5.746469|3.868928|2.962810|0.077102|2.835558|3.288214|2.811618|2.526507|2.933308|0.056044|0.056402|2.157561|2.328169|2.604584|4.602525|3.128056|2.041833|1.842558|1.661747|1.528966|1.527706|1.666514|1.840954|1.631882|1.489635|1.367955|1.907274|1.287975|0.111209|0.115371|0.105051|0.229108|0.171005|0.137410|0.167358|0.300483|0.500000| |3.391417|4.581026|5.430830|8.773422|0.211689|17.554687|7.003780|11.286984|6.989211|4.360445|3.325886|0.083728|3.361560|3.988573|3.475398|3.153023|3.500411|0.066732|0.066247|2.517847|2.674402|2.859411|5.137261|3.322158|2.140759|1.894792|1.718805|1.562897|1.536903|1.660248|1.849972|1.595959|1.454458|1.351365|1.906841|1.296798|0.084790|0.090571|0.085992|0.136708|0.122849|0.122796|0.140926|0.302089|0.302526|0.500000| |3.134719|3.883692|4.640334|6.091901|0.220005|4.531534|6.445780|8.359292|12.250056|17.592124|8.781876|0.175381|6.539241|6.119072|6.292287|4.304781|4.769241|0.083571|0.094213|3.507745|4.363839|7.173023|12.578282|6.847490|3.948899|3.160957|2.696984|2.315936|2.235114|2.482538|2.970713|2.278321|1.983166|1.829124|2.644823|1.758050|0.078029|0.078840|0.089448|0.096677|0.118831|0.136256|0.107094|0.105014|0.112380|0.129816|0.500000| |3.919682|4.751944|5.951238|6.532513|0.219243|4.355131|6.658653|8.499764|12.241991|17.602947|8.769117|0.225079|5.697050|5.964437|4.590685|3.463544|4.146615|0.073809|0.081385|3.273582|4.177641|6.364835|9.346152|7.122692|3.938308|3.353373|2.838597|2.481696|2.446590|2.758825|3.275126|2.558871|2.229403|2.009282|2.896811|1.893671|0.093870|0.096349|0.118108|0.109253|0.144955|0.204207|0.130214|0.104687|0.109534|0.113392|0.301542|0.500000| |2.809490|3.131843|4.115341|4.479251|0.115693|3.546977|6.608547|11.431918|12.329030|6.352527|6.877678|0.205976|8.742224|17.507125|5.505227|4.805082|6.117287|0.107715|0.108283|5.754848|7.118359|4.478653|6.766699|5.247060|2.978222|2.657066|2.490314|2.217361|2.094953|2.190941|2.456726|1.991489|1.833775|1.724626|2.549923|1.740493|0.067721|0.076854|0.081922|0.078484|0.084111|0.129071|0.111946|0.096574|0.083804|0.096587|0.135859|0.150934|0.500000| |2.576013|2.974719|3.849913|4.676571|0.119866|3.975282|7.364389|13.995344|12.485770|5.831579|5.712927|0.144086|8.580258|17.647697|7.084594|6.794516|7.348501|0.130085|0.122252|5.982329|6.190939|4.077480|6.727128|4.555451|2.700384|2.355748|2.206088|1.958739|1.847149|1.932152|2.171007|1.768892|1.624190|1.539733|2.258148|1.554897|0.063083|0.070536|0.072489|0.077404|0.080230|0.110842|0.105246|0.107971|0.090882|0.115441|0.140662|0.129225|0.303763|0.500000| |2.362117|2.793672|3.329547|4.276894|0.127608|3.744250|5.299591|8.181637|9.507001|6.823277|6.665904|0.137589|8.745540|7.077731|17.603118|9.010266|7.630598|0.127076|0.144194|4.875095|5.507433|5.626318|11.013855|5.515414|3.331137|2.693617|2.441078|2.096031|1.960313|2.085101|2.426701|1.887205|1.685581|1.603188|2.349041|1.608081|0.059654|0.062248|0.066260|0.073359|0.080360|0.094156|0.084708|0.092960|0.090221|0.116638|0.215141|0.137080|0.141006|0.191937|0.500000| |2.075288|2.364806|2.725766|3.232679|0.096669|2.838750|3.805280|6.069544|6.723574|5.422953|6.804503|0.141654|8.763276|5.501510|17.620815|8.898151|9.374240|0.144165|0.206125|5.645866|6.743772|7.022242|14.901080|6.704463|4.069011|3.148698|2.885442|2.401032|2.181306|2.289365|2.703310|2.014986|1.789241|1.727062|2.574815|1.773610|0.053036|0.054663|0.059245|0.061638|0.068548|0.079275|0.069866|0.072128|0.071066|0.085014|0.160626|0.117424|0.122817|0.141217|0.306304|0.500000| |2.031041|2.312595|2.767796|3.324155|0.090402|3.092314|4.306916|7.902261|6.781854|4.155735|4.404798|0.106808|6.637395|6.556828|8.692572|17.642461|12.436276|0.224329|0.181250|6.961772|5.715405|3.684870|6.616399|4.116624|2.564336|2.205577|2.101124|1.852258|1.718500|1.773794|1.991769|1.611748|1.480279|1.428513|2.102938|1.469950|0.051305|0.055340|0.056755|0.061749|0.063872|0.077873|0.075070|0.083078|0.074073|0.094619|0.113207|0.094208|0.144314|0.238657|0.212650|0.172750|0.500000| |1.834908|2.082439|2.399848|2.861668|0.081157|2.702422|3.420481|5.958557|5.382790|3.705645|4.013882|0.094922|5.445182|4.607487|8.788134|17.627359|12.362733|0.222967|0.224354|5.581931|4.888101|3.744139|7.251178|4.154568|2.685157|2.260428|2.152770|1.875749|1.725296|1.779009|2.013422|1.606497|1.464401|1.424696|2.099861|1.473633|0.047090|0.049425|0.051315|0.055868|0.058747|0.067399|0.063907|0.070999|0.066893|0.083536|0.107369|0.085044|0.105657|0.141770|0.212820|0.216892|0.301494|0.500000| |1.972071|2.156109|2.584430|2.860900|0.076829|2.553659|3.677214|6.813848|5.946928|3.749949|4.441552|0.120557|6.676102|6.508174|5.725756|6.974621|12.435417|0.223782|0.181054|17.622910|8.742667|3.616835|5.949861|4.334543|2.641337|2.356047|2.319999|2.061272|1.883952|1.901595|2.103841|1.704435|1.588649|1.544602|2.312754|1.630204|0.049533|0.054288|0.056444|0.056396|0.058934|0.075957|0.071269|0.070210|0.062375|0.073448|0.094092|0.089479|0.180897|0.198304|0.128547|0.131676|0.210406|0.143500|0.500000| |1.759971|1.894610|2.200512|2.386132|0.065756|2.137844|2.893557|5.163801|4.676935|3.234370|4.036740|0.111380|5.443739|4.558591|4.878057|5.575526|12.359067|0.223246|0.223418|17.625358|8.758499|3.608561|5.949244|4.525974|2.826066|2.543130|2.589413|2.281520|2.029376|2.004677|2.210773|1.763631|1.648105|1.629595|2.480780|1.773085|0.044768|0.048097|0.050815|0.049468|0.052515|0.065170|0.059941|0.058155|0.053529|0.061237|0.082793|0.079097|0.127909|0.125773|0.107523|0.127023|0.143409|0.126471|0.301134|0.500000| |2.004252|2.183195|2.533137|2.771429|0.079516|2.377610|3.315835|5.490013|5.840943|4.537934|6.902655|0.182306|8.807382|5.452697|6.776604|5.668860|9.414957|0.144561|0.207021|8.901989|17.514738|6.514849|9.821200|7.849337|4.411934|3.675048|3.608361|2.965177|2.583736|2.606406|3.023386|2.216928|2.004786|1.960843|3.026016|2.104776|0.050860|0.053480|0.058738|0.055884|0.062044|0.076914|0.066434|0.062617|0.059874|0.067748|0.114199|0.107645|0.144458|0.130445|0.138736|0.196380|0.131753|0.127738|0.173105|0.215769|0.500000| |2.205131|2.374463|2.840337|3.019748|0.083631|2.535598|3.765597|6.380783|6.658989|4.727756|6.803062|0.216439|8.771387|6.904187|5.500856|4.874484|7.630682|0.127071|0.144051|8.993199|17.570363|5.202506|7.525637|6.548141|3.631136|3.242757|3.181208|2.748612|2.470304|2.496874|2.816871|2.170251|1.998543|1.928146|2.951903|2.042915|0.055037|0.059599|0.065196|0.060139|0.066003|0.088244|0.075858|0.068061|0.063004|0.070638|0.110293|0.115347|0.218207|0.156113|0.122953|0.138201|0.128167|0.107598|0.213343|0.212355|0.303988|0.500000| |2.435141|2.589959|2.884095|2.956452|0.089049|2.417606|3.204401|4.966868|5.508370|5.224187|7.448307|0.244125|5.042212|4.055056|4.002105|3.151631|4.303802|0.075539|0.090798|3.548420|4.930681|9.395410|10.865005|26.079210|9.015267|7.616970|5.923714|4.509209|4.096946|4.561783|6.079778|3.614743|3.032105|2.813381|4.393074|2.802374|0.062049|0.062623|0.074620|0.063739|0.076540|0.092353|0.072227|0.062202|0.063050|0.066056|0.127394|0.147641|0.112768|0.092442|0.101712|0.117256|0.080150|0.078093|0.088579|0.091944|0.152497|0.142464|0.500000| |1.890779|2.030764|2.181502|2.320875|0.070622|2.018449|2.456646|3.910417|4.015405|3.605775|4.544407|0.119091|3.805104|2.985310|3.656443|2.988343|4.130506|0.073497|0.093447|3.081946|3.830156|6.886217|12.059455|12.455844|17.599134|8.872825|7.096868|4.707941|3.936353|4.186723|5.650173|3.253073|2.699468|2.666947|4.177260|2.782685|0.049589|0.048915|0.055968|0.051858|0.060507|0.065837|0.055358|0.051778|0.053495|0.056925|0.100812|0.095663|0.078828|0.073401|0.092870|0.120133|0.072847|0.078686|0.074679|0.082334|0.129326|0.099489|0.186720|0.500000| |2.131776|2.302244|2.421509|2.558980|0.080093|2.196222|2.607976|4.052887|4.218521|3.994768|4.626550|0.120333|3.582267|2.949515|3.418459|2.737039|3.607343|0.064792|0.078653|2.693857|3.334587|7.044330|12.385187|12.451528|17.599965|8.862170|5.659786|4.209295|3.941505|4.699046|7.078509|3.782753|2.962864|2.789112|4.181068|2.666424|0.056232|0.054106|0.063483|0.058203|0.070370|0.073355|0.060138|0.055483|0.059023|0.061322|0.114588|0.111199|0.077445|0.071888|0.091797|0.107970|0.068355|0.072214|0.067572|0.070439|0.104460|0.088326|0.189384|0.303929|0.500000| |1.701045|1.768627|1.894952|1.945608|0.057345|1.707073|2.073867|3.397018|3.298780|2.778779|3.438979|0.099380|3.053933|2.534082|2.790758|2.447393|3.571753|0.065408|0.079568|2.809700|3.367850|4.221571|6.771789|7.629202|6.962292|8.910953|17.686359|8.982138|5.623099|4.942476|5.678286|3.547887|3.110969|3.285565|5.700320|3.955631|0.044698|0.044664|0.050840|0.045191|0.051618|0.057635|0.049165|0.044783|0.045290|0.047480|0.074128|0.075944|0.070424|0.063062|0.070263|0.085711|0.061530|0.063810|0.068783|0.079297|0.111909|0.094086|0.153222|0.212111|0.143277|0.500000| |1.567832|1.587578|1.671008|1.669289|0.048578|1.480397|1.750048|2.904913|2.692833|2.205587|2.571000|0.076252|2.315758|2.043296|2.109819|1.906788|2.762207|0.051961|0.059814|2.191968|2.517655|2.906460|4.705819|4.909472|4.108360|5.659764|9.018679|17.783911|8.862011|5.625469|4.999081|4.061849|3.914856|4.660404|9.694888|7.625538|0.041598|0.041425|0.047123|0.040658|0.045990|0.050757|0.043839|0.039262|0.039668|0.040707|0.058481|0.062063|0.058061|0.051578|0.054435|0.062438|0.049344|0.049996|0.055625|0.062502|0.078288|0.072813|0.105895|0.112374|0.097331|0.219800|0.500000| |2.258255|2.326803|2.369906|2.355493|0.072295|2.015295|2.335978|3.668810|3.628221|3.292112|3.575450|0.102780|2.813956|2.506857|2.561420|2.147675|2.868923|0.052729|0.060825|2.218595|2.684444|4.366752|6.967568|7.759362|7.017981|8.931819|5.688160|4.989451|5.642227|9.008072|17.668166|7.151767|4.635152|3.958919|5.706973|3.286458|0.060300|0.056868|0.069228|0.057970|0.071150|0.073152|0.059083|0.051615|0.055019|0.054665|0.089471|0.099561|0.068814|0.061310|0.069645|0.075782|0.055690|0.056228|0.057370|0.059001|0.080317|0.075453|0.160384|0.143583|0.212588|0.124446|0.108241|0.500000| |1.867347|1.853451|1.838096|1.787187|0.053345|1.584282|1.756659|2.844588|2.614957|2.214895|2.333742|0.067583|1.986098|1.837826|1.844023|1.623391|2.199830|0.041450|0.046417|1.695367|1.951670|2.627191|4.375344|4.233759|3.579739|4.538320|4.017480|4.409660|6.098515|8.912276|6.528950|17.511935|8.883027|6.728658|7.523014|4.010608|0.051144|0.047810|0.056789|0.047109|0.055541|0.055554|0.047057|0.041352|0.043821|0.042817|0.060335|0.066154|0.051267|0.046325|0.050302|0.053715|0.042777|0.043079|0.044526|0.046064|0.057489|0.055484|0.089380|0.086950|0.102431|0.091348|0.102104|0.181037|0.500000| |2.209710|2.164120|2.145023|2.042824|0.060979|1.775708|1.998541|3.207007|2.982737|2.551620|2.663951|0.079011|2.208898|2.070675|2.000176|1.740957|2.345208|0.043937|0.048968|1.834590|2.146358|2.927655|4.717159|4.764978|3.776341|4.711763|3.995453|4.229505|5.672666|8.886443|7.111215|17.550427|8.825604|5.551927|6.776959|3.614471|0.060078|0.056045|0.068792|0.054021|0.065033|0.066108|0.054491|0.046296|0.049023|0.047411|0.068106|0.078462|0.058348|0.051515|0.054708|0.057466|0.046179|0.045652|0.048499|0.049427|0.062374|0.061916|0.104912|0.088259|0.106791|0.090785|0.097152|0.214414|0.304007|0.500000| |1.790787|1.725784|1.706249|1.622080|0.047425|1.447103|1.598718|2.628313|2.340264|1.920469|2.007110|0.059294|1.748673|1.660056|1.605214|1.440330|1.967628|0.037436|0.041068|1.536208|1.741521|2.151453|3.543814|3.379310|2.663573|3.247686|3.120149|3.610301|4.912675|5.529829|4.113587|8.826044|17.558949|8.875339|7.674777|4.170870|0.049234|0.046504|0.054819|0.043948|0.050688|0.051636|0.044413|0.038316|0.040026|0.038767|0.051434|0.057552|0.047159|0.042148|0.043710|0.045913|0.038472|0.038062|0.040872|0.042079|0.050434|0.050414|0.073518|0.066468|0.073559|0.073938|0.089783|0.110487|0.219792|0.206603|0.500000| |1.922711|1.848239|1.860908|1.757645|0.051091|1.546477|1.756982|2.887506|2.600212|2.133707|2.272739|0.068830|1.964004|1.862311|1.763449|1.575946|2.170952|0.041105|0.045191|1.724595|1.980134|2.408622|3.864297|3.870346|2.967771|3.733920|3.656821|4.359807|6.175221|6.651677|4.717984|8.834962|17.546076|8.928275|9.681052|4.840520|0.052005|0.050130|0.059647|0.046588|0.053860|0.057235|0.048526|0.041067|0.042353|0.041295|0.056050|0.064213|0.053621|0.046816|0.047556|0.050190|0.042118|0.041206|0.045823|0.047362|0.057316|0.058304|0.087235|0.073068|0.079250|0.085158|0.106801|0.120538|0.174186|0.217316|0.302028|0.500000| |1.545090|1.523697|1.532290|1.492328|0.043685|1.341109|1.495156|2.470731|2.214420|1.815772|1.950177|0.056936|1.726013|1.600805|1.605227|1.450250|2.009489|0.038290|0.042526|1.557416|1.754380|2.147783|3.585428|3.418580|2.829414|3.590619|3.716557|4.683101|6.635473|6.061407|4.301201|6.934333|8.847304|17.445374|12.280050|6.681312|0.042154|0.040412|0.046576|0.039164|0.044646|0.046033|0.040024|0.035499|0.036834|0.036412|0.049053|0.053030|0.045166|0.040847|0.043193|0.046635|0.038316|0.038565|0.040894|0.043174|0.051869|0.050296|0.072806|0.072865|0.076588|0.087443|0.119397|0.106230|0.199198|0.140164|0.213775|0.174028|0.500000| |1.543782|1.502764|1.517703|1.460881|0.042298|1.311338|1.471620|2.449920|2.168763|1.752545|1.882704|0.055833|1.680717|1.579073|1.543485|1.405497|1.959666|0.037475|0.041161|1.538345|1.725062|2.018680|3.325384|3.190119|2.528641|3.148964|3.333559|4.245593|5.754056|4.964880|3.650721|5.551158|8.881129|17.601220|12.585892|7.398541|0.041979|0.040716|0.046788|0.038556|0.043549|0.045804|0.039983|0.034979|0.035907|0.035418|0.046735|0.051337|0.045135|0.040328|0.041403|0.044330|0.037419|0.037152|0.040677|0.042866|0.050490|0.050185|0.069481|0.065193|0.067267|0.080139|0.113481|0.090712|0.139445|0.124065|0.214276|0.215788|0.302238|0.500000| |1.408527|1.387580|1.423394|1.388029|0.040005|1.250705|1.421409|2.384680|2.110329|1.689944|1.855540|0.054941|1.689702|1.567937|1.556286|1.432959|2.033817|0.039027|0.043048|1.600460|1.778209|1.997171|3.298405|3.160935|2.517213|3.134734|3.612612|4.892960|5.719705|4.244020|3.335358|3.981137|4.885956|7.591823|12.555715|17.627800|0.037997|0.037442|0.042343|0.035777|0.039954|0.042835|0.037727|0.033474|0.033979|0.034040|0.045025|0.048589|0.044881|0.040226|0.041219|0.044948|0.037960|0.037910|0.041975|0.045285|0.052682|0.051738|0.068439|0.066964|0.065158|0.089821|0.148827|0.080212|0.102223|0.092510|0.116967|0.130743|0.181975|0.243757|0.500000| |1.472312|1.462588|1.522841|1.494566|0.043036|1.336718|1.552441|2.603670|2.336425|1.873989|2.110759|0.063100|1.925721|1.761393|1.754000|1.611724|2.319407|0.044271|0.049355|1.846836|2.070576|2.282497|3.718301|3.684351|2.920602|3.725922|4.671042|6.921298|6.877918|4.596570|3.737360|3.857060|4.299963|5.734514|12.373313|17.588362|0.039323|0.039183|0.044338|0.037573|0.042026|0.046118|0.040349|0.035763|0.036022|0.036481|0.049519|0.053431|0.050653|0.044919|0.045857|0.050845|0.042449|0.042351|0.047947|0.052726|0.062154|0.060708|0.080693|0.078329|0.073009|0.117139|0.246675|0.086634|0.096131|0.091548|0.099362|0.120660|0.136791|0.156054|0.303707|0.500000| 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