Version2.1 2021-01-18T08:09:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c3nnnn3C[C@@H]4CCCO4)[NH+]5CCC(CC5)O C06198025 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c3nnnn3C[C@@H]4CCCO4)[NH+]5CCC(CC5)O C01[X(C23H31N6O3)] 183 C1 542 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCC(CC1)O CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCC(CC1)O CCc1ccc2NC(=O)C(=Cc2c1)[C@H]([NH+]3CCC(O)CC3)c4nnnn4C[C@@H]5CCCO5 InChIKey=LERFAHSCQHXBPN-RXVVDRJESA-O InChI=1S/C23H30N6O3/c1-2-15-5-6-20-16(12-15)13-19(23(31)24-20)21(28-9-7-17(30)8-10-28)22-25-26-27-29(22)14-18-4-3-11-32-18/h5-6,12-13,17-18,21,30H,2-4,7-11,14H2,1H3,(H,24,31)/p+1/t18-,21-/m0/s1 InChI=1/C23H30N6O3/c1-2-15-5-6-20-16(12-15)13-19(23(31)24-20)21(28-9-7-17(30)8-10-28)22-25-26-27-29(22)14-18-4-3-11-32-18/h5-6,12-13,17-18,21,30H,2-4,7-11,14H2,1H3,(H,24,31)/p+1/t18-,21-/m0/s1/fC23H31N6O3/h24,28H/q+1 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c3nnnn3C[C@@H]4CCCO4)[NH+]5CCC(CC5)O C01[X(C23H31N6O3)] 183 C01 542 CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCC(CC1)O CC[C]1[CH][CH][C]2[C]([CH]1)[CH]=C(C(=O)N2)[C@@H]([C]1[N][N][N][N]1C[C@@H]1CCCO1)[NH]1CC[C@H](CC1)O CC[C]1[CH][CH][C]2NC(=O)C(=C[C]2[CH]1)[C@@H]([C]3[N][N][N]N3C[C@@H]4CCCO4)[NH]5CC[C@@H](O)CC5 InChIKey=IHTHCQXNFBRLQD-RXVVDRJESA-N InChI=1S/C23H31N6O3/c1-2-15-5-6-20-16(12-15)13-19(23(31)24-20)21(28-9-7-17(30)8-10-28)22-25-26-27-29(22)14-18-4-3-11-32-18/h5-6,12-13,17-18,21,28,30H,2-4,7-11,14H2,1H3,(H,24,31)/t18-,21-/m0/s1 InChI=1/C23H31N6O3/c1-2-15-5-6-20-16(12-15)13-19(23(31)24-20)21(28-9-7-17(30)8-10-28)22-25-26-27-29(22)14-18-4-3-11-32-18/h5-6,12-13,17-18,21,28,30H,2-4,7-11,14H2,1H3,(H,24,31)/t18-,21-/m0/s1/f/h24H 3407.7820689085 -1440.0878112 1-A 15366.4197 117 425 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68120 -20.66475 -20.64661 -15.81820 -15.78056 -15.75085 -15.73501 -15.73135 -15.69820 -11.47948 -11.45270 -11.44124 -11.41483 -11.41163 -11.41021 -11.40140 -11.39977 -11.39865 -11.39781 -11.38355 -11.38205 -11.36133 -11.35176 -11.35001 -11.34958 -11.34850 -11.34507 -11.34134 -11.33450 -11.32977 -11.31722 -11.29662 -1.61840 -1.52060 -1.50546 -1.48016 -1.46347 -1.39761 -1.37911 -1.31866 -1.27395 -1.25019 -1.20982 -1.18624 -1.17901 -1.16774 -1.16084 -1.14951 -1.10202 -1.08868 -1.06796 -1.03686 -1.01800 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439.24576 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 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 14.1638 22.6365 33.4426 35.6466 44.3058 48.9102 57.9107 72.9242 86.0368 91.1797 108.2194 109.3792 134.0670 140.1242 166.8504 173.4455 190.1424 203.3090 223.7356 238.4764 254.8093 266.3848 286.9533 299.5367 306.9005 309.9323 329.9261 354.8980 373.6831 383.6468 393.4582 416.4377 431.6527 470.9546 481.1188 491.3133 496.3161 504.9923 519.3865 521.1838 557.8858 570.9727 617.9112 636.8852 641.6404 677.0691 696.5666 721.2818 728.9146 760.3350 776.3766 797.3423 811.4277 822.7384 827.0181 850.0224 854.2548 869.7154 880.2186 891.3189 903.2694 929.6470 938.2927 940.5727 952.7183 970.4226 972.8073 998.3979 1005.7884 1016.2589 1020.5491 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0.5653 0.6545 0.5193 0.1380 0.4271 0.7279 0.7428 0.6757 0.1089 0.7479 0.2241 0.7002 0.3927 0.7437 0.3556 0.6905 0.7401 0.7149 0.7275 0.7346 0.6713 0.3099 0.5585 0.3731 0.3704 0.2582 0.3608 0.1964 0.7017 0.5871 0.2636 0.3331 0.1895 0.1617 0.3424 0.4589 0.4702 0.1140 0.5219 0.2332 0.3089 0.7447 0.7475 0.3671 0.5391 0.7237 0.3008 0.7483 0.1665 0.3490 0.2969 0.7479 0.5984 0.6161 0.7455 0.7259 0.7474 0.7365 0.6636 0.7205 0.4893 0.1941 0.2474 0.7119 0.1796 0.3775 0.3300 0.4030 0.2695 0.3389 0.0335 0.2417 0.1233 0.6710 0.1931 0.0277 0.2993 0.1661 0.7466 0.6956 0.6149 0.3250 0.5943 0.3460 0.4915 0.0968 0.2999 0.2998 0.7498 0.1339 0.6928 0.3832 0.2347 0.7381 0.1915 0.3538 0.3134 0.1021 0.2263 0.3089 0.8461 0.8565 0.8487 0.8418 0.8550 0.8571 0.8571 0.8263 0.7486 0.6658 0.8571 0.8569 0.7912 0.7952 0.7212 0.8465 0.8570 0.0673 0.4447 0.3362 0.4989 0.4254 0.2468 0.8158 0.8495 0.8559 0.4527 0.1736 0.6360 0.4986 0.6555 0.8395 0.4580 0.2396 0.6750 0.7174 0.6116 0.1941 0.8566 0.8518 0.5919 0.3726 0.5760 0.8571 0.7392 0.4005 0.3391 0.8480 0.8567 0.3149 0.8384 0.6743 0.2332 0.3616 0.1809 0.2064 0.1940 0.6108 0.3553 0.0848 0.4865 0.7113 0.4273 0.7876 0.8436 0.8370 0.3376 0.2387 0.3356 0.1939 0.2879 0.3723 0.5247 0.7925 0.7243 0.7852 0.8183 0.7783 0.7968 0.8503 0.8554 0.6690 0.7829 0.7223 0.7912 0.6836 0.2426 0.5986 0.8425 0.8524 0.8064 0.1964 0.8558 0.3661 0.8237 0.5640 0.8530 0.5246 0.8169 0.8506 0.8337 0.8422 0.8470 0.8033 0.4731 0.7167 0.5435 0.5406 0.4105 0.5303 0.3283 0.8247 0.7399 0.4173 0.4998 0.3186 0.2784 0.5101 0.6291 0.6397 0.2046 0.6859 0.3782 0.4720 0.8536 0.8555 0.5370 0.7005 0.8397 0.4625 0.8560 0.2854 0.5175 0.4578 0.8557 0.7488 0.7625 0.8542 0.8412 0.8554 0.8483 0.7978 0.8375 0.6571 0.3252 0.3966 0.8317 0.3045 0.5481 0.4963 0.5745 0.4246 0.5062 0.0647 0.3892 0.2195 0.8031 0.3237 0.0540 0.4607 0.2849 0.8549 0.8204 0.7615 0.4906 0.7455 0.5141 0.6590 0.1765 0.4614 0.4613 0.8570 0.2362 0.8185 0.5540 0.3802 0.8493 0.3215 0.5226 0.4772 0.1853 0.3691 0.4720 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 6 6 6 6 6 6 6 6 6 6 6 8 7 1 6 1 6 7 7 7 7 6 6 1 6 6 6 8 7 1 6 6 6 6 6 8 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 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 11550.3359 18648.6359 24073.8402 0.99990 -0.01363 -0.00483 0.01356 0.99980 -0.01493 0.00503 0.01486 0.99988 1 0.00750 0.00464 0.00360 0.15625 0.09678 0.07497 20.38 32.57 48.12 51.29 63.75 70.37 83.32 104.92 123.79 131.19 155.70 157.37 192.89 201.61 240.06 249.55 273.57 292.52 321.91 343.11 366.61 383.27 412.86 430.97 441.56 445.92 474.69 510.62 537.65 551.98 566.10 599.16 621.05 677.60 692.22 706.89 714.09 726.57 747.28 749.87 802.67 821.50 889.04 916.34 923.18 974.15 1002.20 1037.76 1048.75 1093.95 1117.03 1147.20 1167.46 1183.74 1189.89 1222.99 1229.08 1251.33 1266.44 1282.41 1299.60 1337.55 1349.99 1353.27 1370.75 1396.22 1399.65 1436.47 1447.11 1462.17 1468.34 1470.78 1501.38 1530.66 1543.78 1560.05 1582.92 1595.49 1606.42 1621.05 1627.41 1645.89 1670.15 1672.09 1700.24 1708.72 1711.80 1762.03 1773.71 1783.03 1799.26 1802.88 1807.28 1822.67 1836.74 1844.45 1856.71 1872.83 1900.94 1926.15 1933.97 1949.97 1979.48 1984.09 1999.26 2000.13 2007.85 2036.92 2042.15 2060.30 2062.32 2066.51 2095.98 2105.06 2112.21 2135.04 2142.57 2153.84 2159.01 2171.90 2174.30 2190.66 2205.05 2227.41 2230.56 2242.28 2250.40 2251.81 2274.71 2290.43 2301.43 2302.45 2328.04 2336.95 2338.72 2345.24 2350.81 2353.00 2356.44 2360.20 2370.65 2376.37 2378.31 2382.74 2395.11 2404.67 2428.24 2493.64 2558.47 2603.33 2643.89 2754.13 4557.81 4616.35 4620.44 4629.89 4633.55 4641.82 4655.95 4656.51 4667.55 4673.66 4692.29 4703.48 4715.82 4716.27 4721.17 4721.66 4731.75 4736.72 4739.14 4753.76 4790.88 4815.72 4830.59 4846.34 4847.05 4871.20 4881.45 4887.01 5205.44 5512.03 5902.30 0.580501 0.607558 0.608502 0.519965 -1439.507310 -1439.480253 -1439.479309 -1439.567847 2.969579D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE CCc1ccc2c(c1)cc(c(=O)[nH]2)[C@@H](c3nnnn3C[C@@H]4CCCO4)[NH+]5CCC(CC5)O C06198025 RHF 6-31G(d) (6D,10F) C1 439.245764 |X|Y|Z| 69.275926 93.585237 42.532612 65.088448 28 6 7 8 21 6 1 |36.858105| |12.423134|36.858105| |7.496438|12.580120|36.858105| |5.798331|7.510079|13.544301|36.858105| |4.211884|4.996206|7.824370|13.879046|36.858105| |3.732821|4.408337|6.785591|7.977632|13.658298|36.858105| |4.076364|4.982012|7.858485|6.904105|7.897705|13.678544|36.858105| |5.502860|7.543228|13.873830|8.014561|6.861482|7.888211|13.566027|36.858105| |3.269976|3.792258|5.072877|4.536520|5.131880|7.852960|13.221256|7.624949|36.858105| |2.721487|3.058454|3.921437|3.799373|4.540822|6.802148|7.826960|5.116982|14.187844|36.858105| |2.598468|2.898604|3.747742|3.950416|5.156222|7.823373|6.695630|4.483599|7.812891|12.975103|36.858105| |2.239249|2.456227|3.044723|3.234651|4.082718|5.393883|4.700127|3.491653|5.379208|8.108629|15.734740|73.516695| |2.955203|3.339750|4.546650|5.201637|7.867985|13.775845|7.972188|5.187489|6.973547|7.972348|14.053390|15.071177|53.358707| |2.735128|3.040584|3.991398|4.788182|7.277832|9.223652|5.784990|4.257787|5.106899|5.799853|9.546241|13.960895|25.949827|0.500000| |2.309534|2.531791|3.054686|2.929750|3.338851|4.418074|4.960752|3.809173|7.605827|12.570402|7.471654|11.938441|6.896170|0.116634|36.858105| |2.324272|2.553601|3.018729|2.802422|3.078950|3.958917|4.711227|3.822619|7.314884|8.933522|5.534294|8.747088|5.737608|0.098295|17.659730|0.500000| |2.175065|2.304640|2.729391|2.658556|3.017554|3.825096|4.093081|3.279683|5.508575|7.637589|6.062707|10.612945|6.009961|0.106557|12.597948|0.249125|36.858105| |1.936748|2.035234|2.377640|2.370474|2.704400|3.306857|3.357524|2.755022|4.163627|5.546672|5.239973|10.442783|5.346334|0.099948|7.683078|0.164643|14.748432|53.358707| |1.872321|1.926332|2.215892|2.209525|2.482300|2.942189|2.979752|2.523467|3.537517|4.329400|4.154717|7.936284|4.596937|0.087621|5.336760|0.127246|9.060585|19.436701|53.358707| |2.022805|2.057992|2.360866|2.315750|2.563314|3.040802|3.168822|2.715730|3.781455|4.410586|4.010641|7.136473|4.572190|0.085443|5.266336|0.132252|8.905041|12.205736|20.757094|53.358707| |2.257701|2.333370|2.723979|2.618007|2.901162|3.575930|3.899215|3.254342|4.999992|5.916583|4.819779|8.058136|5.305642|0.095011|7.458259|0.188059|14.280370|12.181723|12.422471|19.476803|53.358707| |2.519886|2.565258|2.954834|2.740645|2.930253|3.552584|4.095915|3.588487|5.152466|5.242943|4.131360|6.550688|4.895542|0.086861|5.810164|0.167395|7.398610|7.256342|7.502391|10.783254|17.763345|36.858105| |2.330754|2.386670|2.660127|2.417809|2.518466|2.981613|3.497455|3.215197|4.387520|4.312108|3.379086|5.471871|4.041325|0.072629|5.059856|0.164419|5.710473|5.965877|6.012110|7.739524|10.440806|12.546773|36.858105| |2.062167|2.103150|2.322763|2.149795|2.251861|2.629631|2.982591|2.737605|3.655848|3.754543|3.065295|5.139000|3.642823|0.066680|4.574450|0.144138|5.459139|6.104954|6.415968|8.233534|9.814958|8.927838|17.529510|0.500000| |2.442704|2.445441|2.632371|2.343282|2.363505|2.706787|3.195038|3.123669|3.746893|3.469590|2.825115|4.549058|3.540901|0.064343|3.745841|0.118934|3.978901|4.447907|4.544803|5.606644|6.738350|7.453663|12.497966|0.245415|36.858105| |2.255685|2.302280|2.434610|2.152619|2.152789|2.447205|2.896375|2.876967|3.402879|3.143720|2.558226|4.161007|3.199857|0.058437|3.457165|0.113986|3.465390|3.952775|3.916232|4.559333|5.377342|5.097793|8.068932|0.191697|12.453953|36.858105| |2.295464|2.423645|2.624339|2.311505|2.340347|2.729586|3.306285|3.199923|4.116587|3.793127|2.944966|4.748786|3.592270|0.064645|4.333421|0.155237|4.045839|4.451469|4.195963|4.756899|5.908033|5.296652|8.156717|0.185490|7.966473|12.427008|36.858105| |2.354158|2.489521|2.794222|2.503351|2.605893|3.139700|3.807064|3.473276|5.081397|4.896448|3.608838|5.771593|4.234936|0.075035|6.033200|0.230061|5.772505|5.846301|5.399288|6.309614|8.667668|7.966278|13.472228|0.258102|8.186061|8.045732|13.369215|73.516695| |2.013807|2.216262|2.622862|2.574200|2.939338|3.719155|3.914521|3.129335|5.226247|7.552020|6.326693|12.185197|5.999928|0.107808|12.606695|0.251884|7.828593|9.492360|6.415323|5.767875|6.970183|4.073765|3.785596|0.101087|2.970915|2.859834|3.517044|7.865466|53.358707| |1.957046|2.136181|2.536968|2.552038|2.972825|3.733884|3.728123|2.961556|4.709324|6.912283|6.926668|15.821474|6.356779|0.117779|9.405409|0.182806|7.643080|10.872157|6.989664|5.931217|6.785696|3.834719|3.429381|0.092666|2.729355|2.577137|3.051478|6.734009|25.551446|0.500000| |2.028623|2.287558|2.707763|2.658234|3.020126|3.777450|3.965978|3.210715|5.053973|6.537252|5.797149|10.620453|5.940309|0.107520|7.549016|0.185650|5.011794|6.181369|4.703364|4.379627|5.159053|3.296140|3.146307|0.082738|2.613274|2.585498|3.187419|6.646679|17.237945|0.258022|36.858105| |1.769274|1.974301|2.283692|2.282629|2.573442|3.057944|3.083945|2.600980|3.630716|4.413869|4.369780|8.663358|4.807444|0.092205|4.940953|0.124963|3.889722|5.236684|4.131710|3.753166|4.181498|2.676867|2.582803|0.069769|2.196391|2.190543|2.614896|5.262604|10.425233|0.199929|12.509059|36.858105| |1.600281|1.758997|1.992406|1.969644|2.175562|2.535708|2.600719|2.256070|3.064360|3.617112|3.457168|6.781440|3.884323|0.074901|4.326039|0.115024|3.642751|5.046441|4.064651|3.663215|3.993509|2.553340|2.540055|0.070432|2.155618|2.185325|2.601800|5.165400|8.765715|0.164139|7.526803|12.519241|36.858105| |1.599962|1.733777|1.966941|1.941172|2.150758|2.527958|2.602457|2.240935|3.130438|3.801328|3.576020|7.150239|3.912113|0.075066|4.952638|0.129223|4.452231|6.494320|5.061868|4.405537|4.731402|2.899448|2.879667|0.081828|2.369273|2.371415|2.811708|5.768450|10.416763|0.198885|6.558167|7.655536|12.473670|36.858105| |1.786869|1.938589|2.223959|2.161461|2.396894|2.898261|3.078558|2.603173|3.923487|4.934061|4.249704|8.144369|4.463369|0.082811|7.584587|0.200609|6.387181|8.542516|6.192486|5.498570|6.285743|3.731129|3.723991|0.104949|2.915580|2.895689|3.563816|7.753735|17.187450|0.254827|7.772593|6.573620|7.541067|12.509245|36.858105| |1.456411|1.591584|1.784642|1.784518|1.965046|2.235477|2.247242|1.978908|2.554741|2.950805|2.937395|5.832102|3.416534|0.067525|3.357521|0.088784|2.979027|4.241322|3.547984|3.185301|3.375741|2.180129|2.157601|0.060205|1.868613|1.889032|2.189894|4.271335|6.204208|0.125588|5.134247|8.142523|13.677621|7.865574|5.070102|73.516695| |17.566278|8.793495|5.480836|4.493453|3.443165|3.100399|3.363675|4.350404|2.812506|2.384086|2.274571|3.542902|3.456920|0.065998|2.069906|0.058271|1.956009|2.390640|2.320364|2.498267|2.762300|2.258860|2.131049|0.052874|2.260272|2.120891|2.137539|3.829609|2.489348|0.049296|1.849010|1.630944|1.488079|1.483814|1.644849|2.421147|0.500000| |17.556563|8.749761|6.779057|6.198539|4.471976|3.767210|3.877266|4.886111|3.088642|2.637361|2.591053|3.994750|4.088523|0.078688|2.229904|0.061392|2.125667|2.605572|2.531605|2.721252|2.999642|2.422476|2.203679|0.054657|2.277661|2.082804|2.115864|3.912591|2.664761|0.053471|1.963588|1.726379|1.557679|1.560634|1.731731|2.535263|0.301731|0.500000| |17.554396|8.764410|6.780411|5.161642|4.018715|3.752331|4.244562|5.698400|3.485470|2.868669|2.682099|4.090093|4.078629|0.076029|2.449459|0.068953|2.332147|2.797171|2.724755|2.988938|3.358619|2.827492|2.604719|0.063247|2.780747|2.519841|2.526201|4.611218|2.854246|0.056391|2.078905|1.797399|1.635795|1.652741|1.866091|2.630864|0.301248|0.301765|0.500000| |8.847838|17.548249|8.926712|7.006219|4.698031|3.979923|4.238690|5.761380|3.304329|2.756557|2.676774|4.099677|4.218844|0.080247|2.305316|0.064179|2.097935|2.558723|2.417912|2.551981|2.858231|2.263890|2.118357|0.052580|2.153293|2.050628|2.163187|3.937846|2.810846|0.055612|2.159509|1.894631|1.684960|1.645220|1.813835|2.735974|0.213508|0.210148|0.172943|0.500000| |8.848111|17.556566|8.927595|5.611656|4.186204|3.964388|4.729293|7.229223|3.800435|3.022282|2.777619|4.203407|4.209890|0.077489|2.548655|0.072895|2.294570|2.738720|2.583970|2.767963|3.161929|2.581687|2.464009|0.060029|2.559206|2.459081|2.602922|4.645662|3.034302|0.058901|2.314381|1.988828|1.784195|1.753346|1.968753|2.856148|0.213184|0.172810|0.210754|0.304536|0.500000| |5.830571|6.998631|8.879038|17.712302|9.025318|5.673726|4.967768|5.685361|3.611661|3.143092|3.303871|5.000699|5.726814|0.113225|2.520674|0.067223|2.326885|2.875661|2.710921|2.827578|3.134820|2.402460|2.144842|0.053618|2.101201|1.942373|2.058576|3.913623|3.078095|0.062656|2.336927|2.054618|1.791018|1.761055|1.933133|2.921456|0.129574|0.188326|0.135397|0.206619|0.142104|0.500000| |3.611983|4.081958|5.591978|8.941652|17.719830|8.873548|5.623376|4.946274|4.167316|3.948748|4.737430|7.073478|9.726368|0.216944|3.022227|0.076585|2.793451|3.508211|3.242222|3.296354|3.636985|2.642260|2.276165|0.057456|2.130274|1.945333|2.098185|4.145460|3.735103|0.078689|2.814591|2.469475|2.090384|2.064241|2.257774|3.407195|0.084631|0.109474|0.095127|0.111224|0.096419|0.217403|0.500000| |5.285750|6.971896|8.965057|5.665629|4.944469|5.633137|8.903646|17.695085|7.020006|4.703103|3.908496|5.581265|5.728387|0.097978|3.733915|0.108999|3.206478|3.630764|3.343483|3.637940|4.396002|3.685060|3.448392|0.080328|3.451916|3.243426|3.633854|6.773245|4.150220|0.078550|3.117932|2.522150|2.229417|2.219673|2.600424|3.457998|0.121178|0.123500|0.159078|0.146362|0.218781|0.124426|0.107383|0.500000| |3.228599|3.715515|4.659217|3.948654|4.165228|5.615446|8.785392|7.001274|17.692801|9.079246|5.568022|7.635510|6.808558|0.110084|7.024237|0.223894|5.183578|5.280423|4.579049|5.005003|6.705614|5.480110|5.062652|0.112786|4.375244|4.071041|5.194868|11.318750|6.606998|0.116884|4.682417|3.409094|2.987123|3.064125|3.901068|4.400863|0.078336|0.082598|0.097264|0.088973|0.107966|0.089892|0.096055|0.212377|0.500000| |2.917509|2.997879|3.548130|3.224551|3.440761|4.287653|5.213132|4.488904|6.687434|6.200574|4.667909|6.978241|5.671327|0.097575|6.034226|0.172598|6.665646|6.485550|6.313167|8.148688|12.460618|17.640874|8.861160|0.174558|6.672696|4.796206|5.159449|13.076253|5.567258|0.106426|3.432816|2.730551|2.534033|2.795008|3.559736|3.842920|0.071281|0.077322|0.092057|0.072122|0.083549|0.076813|0.083893|0.127801|0.198063|0.500000| |2.463514|2.441164|2.765115|2.597381|2.754971|3.228638|3.592706|3.239562|4.193662|4.236818|3.601644|5.830928|4.430987|0.080611|4.489657|0.125326|5.730310|6.336876|7.141767|10.736013|12.777618|17.648099|8.880177|0.209802|6.877375|4.558570|4.350072|10.193257|4.627403|0.091582|2.816417|2.361783|2.266445|2.562187|3.167462|3.511530|0.061614|0.066504|0.077298|0.060032|0.067572|0.064185|0.069963|0.091475|0.120372|0.301663|0.500000| |2.826129|2.801179|3.008093|2.619436|2.600503|2.968000|3.586410|3.609445|4.098840|3.614429|2.938296|4.626403|3.771048|0.067985|3.682628|0.115027|3.798950|4.219203|4.259108|5.200988|6.327382|7.126789|8.832396|0.174077|17.527553|8.788726|6.756287|12.334202|3.930215|0.074102|2.590268|2.162139|2.081841|2.249288|2.742334|3.219144|0.071948|0.072309|0.091572|0.067239|0.081734|0.064787|0.064227|0.113022|0.134392|0.206195|0.185334|0.500000| |2.277002|2.236077|2.378561|2.151072|2.168562|2.438758|2.794839|2.742202|3.175516|3.007484|2.541219|4.159749|3.216460|0.059349|3.230414|0.098950|3.545857|4.129613|4.373597|5.431530|6.070840|6.309951|8.721182|0.218287|17.601899|8.669940|5.693741|10.350326|3.595849|0.068708|2.324262|1.995638|1.973061|2.177676|2.622117|3.082655|0.059018|0.059613|0.071883|0.055155|0.064356|0.054261|0.054982|0.082558|0.098956|0.151428|0.185482|0.301010|0.500000| |2.326386|2.359576|2.435812|2.126990|2.089213|2.335358|2.769240|2.842577|3.146664|2.842829|2.351899|3.810849|3.003092|0.055097|3.016082|0.097565|2.966184|3.439450|3.401289|3.896511|4.510359|4.179259|5.740554|0.138806|8.679411|17.604985|8.711574|10.434255|3.461086|0.064122|2.361775|2.020896|2.003552|2.133118|2.545748|3.111090|0.061475|0.058995|0.072436|0.058284|0.070986|0.053657|0.052351|0.090569|0.104237|0.114565|0.107146|0.217374|0.193952|0.500000| |2.003337|2.036075|2.144849|1.929217|1.941492|2.189270|2.527595|2.486424|2.941780|2.805944|2.335484|3.874897|2.908439|0.053739|3.150497|0.102096|3.233089|3.801783|3.822842|4.402094|4.983771|4.462754|6.831327|0.191582|8.825932|17.574121|8.793175|11.548314|3.663647|0.067852|2.419220|2.091582|2.127098|2.332564|2.811542|3.292698|0.052702|0.051907|0.061487|0.051018|0.059933|0.048800|0.049324|0.076290|0.094673|0.112162|0.114519|0.174064|0.218496|0.302361|0.500000| |2.511777|2.701610|2.909990|2.500359|2.493107|2.905402|3.627392|3.616851|4.479367|3.898281|3.000565|4.746442|3.726207|0.066553|4.202385|0.149546|3.723443|4.103680|3.812687|4.256283|5.282442|4.685013|6.206985|0.139723|6.423903|8.720644|17.580942|16.615406|4.659026|0.082323|3.238788|2.629686|2.560596|2.683823|3.344848|3.837637|0.064927|0.063333|0.076709|0.066471|0.082289|0.061471|0.061320|0.118684|0.165342|0.136778|0.108197|0.175544|0.132512|0.221406|0.175428|0.500000| |2.054910|2.179412|2.346693|2.097812|2.135057|2.470990|2.920529|2.806799|3.595255|3.437378|2.729407|4.501037|3.305541|0.060161|4.049047|0.144357|3.755308|4.270524|3.992978|4.389061|5.265929|4.359902|6.248206|0.162663|5.813348|8.687068|17.602615|16.499078|4.742220|0.083270|3.187168|2.666577|2.729765|2.954834|3.715441|4.070453|0.053604|0.052961|0.061877|0.054866|0.064862|0.052345|0.053768|0.086983|0.121220|0.115480|0.102191|0.137338|0.128950|0.188680|0.223579|0.301200|0.500000| |2.205447|2.525959|3.069545|3.059506|3.570426|4.606396|4.704143|3.655115|5.847576|7.674250|7.346041|12.657665|7.455430|0.131905|7.072368|0.166916|4.753041|5.783444|4.495699|4.245613|5.018660|3.263575|3.023210|0.078055|2.554196|2.486918|3.015096|6.261628|12.311281|0.222148|17.735622|8.877085|5.509663|4.913410|5.637000|7.562904|0.055316|0.059530|0.062298|0.066374|0.070244|0.073698|0.091838|0.095663|0.140169|0.097402|0.078029|0.071794|0.063157|0.063823|0.063896|0.086743|0.081690|0.500000| |2.059067|2.337596|2.729136|2.605630|2.874455|3.550287|3.920493|3.281185|5.080300|5.927358|4.828334|8.285983|5.251011|0.094202|6.917617|0.199364|4.585927|5.452413|4.308170|4.137453|4.942886|3.294110|3.276763|0.085406|2.748541|2.797750|3.566882|7.246023|12.406462|0.181410|17.593641|8.752472|6.755240|5.809631|7.176991|8.262166|0.052401|0.054675|0.058768|0.061058|0.066862|0.063628|0.073300|0.091210|0.140209|0.095641|0.077489|0.075502|0.067021|0.071160|0.072292|0.102494|0.100647|0.301862|0.500000| |1.733198|1.920162|2.231189|2.276020|2.609397|3.079356|2.993955|2.504325|3.436082|4.261442|4.569098|9.772957|5.015952|0.099062|4.614183|0.111743|3.838520|5.399787|4.255409|3.782696|4.120752|2.595039|2.446191|0.066373|2.083389|2.043352|2.387441|4.841334|9.400196|0.212029|8.867756|17.546538|8.913505|6.850119|5.722047|13.448366|0.044285|0.047436|0.048795|0.051375|0.053101|0.057192|0.070839|0.066415|0.087432|0.073372|0.064443|0.057152|0.053114|0.052423|0.054327|0.066298|0.066856|0.215783|0.172786|0.500000| |1.751987|1.973868|2.266232|2.265729|2.527610|2.944195|2.965009|2.551062|3.378506|3.899725|3.885873|7.404884|4.506711|0.087203|4.103923|0.107381|3.272575|4.341566|3.550172|3.288888|3.653747|2.409294|2.343426|0.062886|2.039080|2.052595|2.436768|4.775510|7.593354|0.145675|8.943893|17.584092|8.861546|5.547672|4.925640|12.883976|0.045063|0.047400|0.049005|0.053139|0.055405|0.056998|0.067503|0.068762|0.088691|0.069028|0.059558|0.056220|0.051536|0.053297|0.054316|0.069185|0.069059|0.214821|0.212165|0.303491|0.500000| |1.598104|1.762579|1.977242|1.926812|2.095142|2.429687|2.547268|2.248285|3.010606|3.428343|3.159792|5.945517|3.619856|0.069123|4.086187|0.114805|3.391434|4.537311|3.738694|3.457381|3.813148|2.504065|2.557652|0.070742|2.192772|2.272146|2.744697|5.316436|7.650243|0.135188|6.773656|8.899205|17.474530|8.873109|6.794368|16.530235|0.041463|0.042894|0.045407|0.046867|0.050168|0.048693|0.055419|0.062634|0.083715|0.069175|0.061506|0.058658|0.055431|0.058070|0.061523|0.075486|0.081553|0.139711|0.198253|0.174641|0.216993|0.500000| |1.565808|1.686722|1.920098|1.922577|2.153469|2.518235|2.529140|2.164142|2.985193|3.680580|3.649341|7.662353|3.983629|0.077841|4.631786|0.115098|4.423092|6.950406|5.391011|4.511354|4.688084|2.812875|2.713691|0.077324|2.240619|2.198876|2.545911|5.257350|9.412729|0.211218|5.723745|6.846239|8.879492|17.545879|8.857981|12.992288|0.040268|0.042762|0.044853|0.044581|0.046949|0.048636|0.058125|0.058808|0.079400|0.075168|0.070120|0.059403|0.057852|0.055129|0.060089|0.067531|0.073001|0.128223|0.133419|0.200744|0.139933|0.174191|0.500000| |1.494700|1.607387|1.798943|1.765961|1.930937|2.234899|2.315536|2.034847|2.748561|3.222796|3.009382|5.881694|3.389647|0.065367|4.120601|0.112224|3.883922|5.675789|4.681747|4.122525|4.333740|2.706259|2.758447|0.080033|2.293805|2.328093|2.729415|5.474062|7.594628|0.145108|4.910871|5.535721|8.789755|17.550090|8.972344|12.239277|0.038749|0.040438|0.042966|0.042411|0.045331|0.044819|0.051538|0.056524|0.076161|0.071462|0.067207|0.059797|0.059091|0.058150|0.064708|0.071472|0.081290|0.108083|0.130052|0.139790|0.123745|0.215210|0.303252|0.500000| |1.811972|1.975546|2.244617|2.141662|2.332348|2.805171|3.071472|2.651232|3.953421|4.675913|3.839109|6.967358|4.168076|0.076600|6.932271|0.217072|5.517807|6.805667|5.313537|4.995371|5.854940|3.703661|3.909828|0.109205|3.087873|3.183061|4.091430|8.672747|12.422339|0.180587|7.226977|5.869396|6.818465|8.766051|17.593071|8.219573|0.046524|0.048308|0.052668|0.051207|0.056440|0.053167|0.060365|0.075113|0.114398|0.098860|0.086412|0.080105|0.075937|0.077470|0.085737|0.106585|0.122870|0.146780|0.222669|0.134174|0.131427|0.200719|0.172798|0.212121|0.500000| |1.755035|1.876206|2.142098|2.084042|2.305325|2.768441|2.930864|2.494807|3.702016|4.615306|4.010356|7.702145|4.254539|0.079377|7.156859|0.187597|7.461808|10.797376|7.722594|6.621535|7.330935|4.119687|4.099458|0.120319|3.109797|3.027129|3.633684|8.139370|12.301082|0.218399|5.641243|4.913002|5.505605|8.851723|17.737876|7.432040|0.044888|0.047394|0.051296|0.048552|0.052743|0.051952|0.060514|0.069321|0.102703|0.104466|0.097502|0.079689|0.078582|0.072721|0.082822|0.091721|0.104528|0.126424|0.146422|0.127812|0.108206|0.139963|0.214376|0.215639|0.300926|0.500000| 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