Version2.4 2021-06-07T23:23:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccn2c1nc(c2C(=O)C3=C(C(=O)N([C@@H]3c4ccc(cc4)O)c5nc(c(s5)C(=O)C)C)[O-])C C40003343 RHF 6-31G(d) (6D,7F) Cc1cccn2c1nc(c2C(=O)C3=C(C(=O)N([C@@H]3c4ccc(cc4)O)c5nc(c(s5)C(=O)C)C)[O-])C C01[X(C26H21N4O5S1)] 165 C1 586 Oc1ccc(cc1)[C@H]1N(c2nc(c(s2)C(=O)C)C)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2C)[O-] Oc1ccc(cc1)[C@H]1N(c2nc(c(s2)C(=O)C)C)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2C)[O-] CC(=O)c1sc(nc1C)N2[C@H](c3ccc(O)cc3)C(=C([O-])C2=O)C(=O)c4n5cccc(C)c5nc4C InChIKey=LWCPYNHOMPWEMY-HXUWFJFHSA-M InChI=1S/C26H22N4O5S/c1-12-6-5-11-29-19(13(2)27-24(12)29)21(33)18-20(16-7-9-17(32)10-8-16)30(25(35)22(18)34)26-28-14(3)23(36-26)15(4)31/h5-11,20,32,34H,1-4H3/p-1/t20-/m1/s1 InChI=1/C26H22N4O5S/c1-12-6-5-11-29-19(13(2)27-24(12)29)21(33)18-20(16-7-9-17(32)10-8-16)30(25(35)22(18)34)26-28-14(3)23(36-26)15(4)31/h5-11,20,32,34H,1-4H3/p-1/t20-/m1/s1/fC26H21N4O5S/h34h/q-1 Cc1cccn2c1nc(c2C(=O)C3=C(C(=O)N([C@@H]3c4ccc(cc4)O)c5nc(c(s5)C(=O)C)C)[O-])C C01[X(C26H21N4O5S1)] 165 C01 586 Oc1ccc(cc1)[C@H]1N(c2nc(c(s2)C(=O)C)C)C(=O)C(=C1C(=O)c1c(C)nc2n1cccc2C)[O-] CC(=O)[C]1[C]([N][C](S1)N1[C@H]([C]2[CH][CH][C]([CH][CH]2)O)[C]([C](=O)C1=O)[C](=O)C1=[C]([N][C]2[C](=[CH][CH]=CN12)C)C)C C[C]1[N][C](S[C]1C(C)=O)N2[C@H]([C]3[CH][CH][C](O)[CH][CH]3)[C](C(=O)C2=O)C(=O)C4=C(C)[N][C]5N4C=CC=C5C InChIKey=AERXOBNZCAVRCV-HXUWFJFHSA-N InChI=1S/C26H21N4O5S/c1-12-6-5-11-29-19(13(2)27-24(12)29)21(33)18-20(16-7-9-17(32)10-8-16)30(25(35)22(18)34)26-28-14(3)23(36-26)15(4)31/h5-11,20,32H,1-4H3/t20-/m1/s1 InChI=1/C26H21N4O5S/c1-12-6-5-11-29-19(13(2)27-24(12)29)21(33)18-20(16-7-9-17(32)10-8-16)30(25(35)22(18)34)26-28-14(3)23(36-26)15(4)31/h5-11,20,32H,1-4H3/t20-/m1/s1 3929.4194133792 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1569.7246 1576.8875 1603.6412 1609.4087 1612.3405 1615.9477 1620.8000 1623.2977 1625.8614 1630.6531 1636.8729 1639.8795 1644.3710 1671.0285 1695.7101 1731.0170 1743.7457 1762.9314 1784.1562 1801.0926 1824.3375 1848.5465 1900.5325 1947.1749 2002.0089 3206.1527 3212.9035 3214.3308 3220.5728 3262.9247 3267.4571 3272.7529 3273.5764 3279.1094 3290.6662 3314.2535 3319.3404 3327.5190 3352.2069 3371.7766 3373.9031 3375.8048 3390.3486 3391.0306 3478.1260 4121.7217 6.4996 5.1311 5.2706 4.2543 4.1199 5.1968 3.7863 7.8487 6.0223 4.4420 1.2304 7.7576 10.0022 4.7172 2.0619 1.0745 2.3657 4.8811 2.6154 1.1426 4.3962 5.4633 5.7687 4.3761 3.2681 4.7862 1.5267 5.1928 2.4872 4.9612 4.8376 5.2595 5.4731 10.0092 6.9419 6.9767 4.5046 6.2730 5.9794 4.9187 3.0630 6.5194 6.0340 5.6929 6.0381 4.8353 6.7669 6.0260 3.2457 4.5791 4.4749 3.7536 4.3970 4.8714 5.2942 4.2720 6.7456 4.8839 4.9100 5.8614 8.1109 5.8971 4.3467 6.0152 2.4625 4.3497 2.8581 3.8609 7.3917 5.8039 1.3840 7.2278 5.8899 1.8370 6.4330 5.0463 1.3512 2.9942 1.4789 2.1496 1.3729 2.8561 1.3149 2.8451 2.7330 3.0104 2.3914 2.1041 1.7839 1.4905 1.5501 2.3794 1.6096 2.5501 1.9745 3.3485 2.2682 2.9585 1.3471 1.1455 2.8820 4.0655 1.5543 5.7349 1.8701 3.4666 4.5242 4.2254 4.2826 1.6120 3.4952 4.8338 1.8889 2.4282 3.7253 2.3192 1.4449 1.4605 1.5209 1.3669 4.7817 2.1161 2.3828 1.2576 1.1113 1.0452 1.1236 1.0462 1.0991 1.2051 1.0467 3.8856 4.0761 2.6116 7.3680 6.4578 6.9911 10.7707 5.8199 5.6393 5.7075 12.4316 11.0732 13.0465 1.0355 1.0385 1.0431 1.0416 1.1008 1.1020 1.1011 1.1040 1.0869 1.0965 1.1033 1.1030 1.0903 1.0908 1.0895 1.0930 1.0974 1.0933 1.0957 1.0970 1.0665 0.0009 0.0018 0.0023 0.0022 0.0035 0.0061 0.0067 0.0170 0.0240 0.0195 0.0056 0.0486 0.0777 0.0566 0.0265 0.0145 0.0324 0.0703 0.0432 0.0215 0.0890 0.1390 0.1694 0.1396 0.1153 0.1740 0.0743 0.2562 0.1267 0.2811 0.2930 0.3433 0.3874 0.7761 0.5558 0.5920 0.4039 0.7110 0.7139 0.6042 0.3847 0.9337 0.8832 0.8993 1.0608 0.9218 1.2991 1.2450 0.6778 0.9937 0.9972 0.8520 1.0406 1.2104 1.4585 1.2187 1.9482 1.4319 1.5104 1.9066 2.6827 1.9855 1.6792 2.3964 1.0396 1.9162 1.2712 1.7432 3.4349 2.7510 0.6710 3.5448 2.9865 0.9619 3.4561 2.8298 0.8177 1.8773 0.9790 1.4574 0.9479 1.9960 0.9227 2.0335 1.9908 2.2653 1.8371 1.6394 1.3913 1.2133 1.2635 1.9432 1.3173 2.1296 1.6508 2.8124 2.0653 2.7554 1.3273 1.1349 2.9171 4.2019 1.6786 6.4749 2.1321 3.9563 5.2014 4.9963 5.2030 2.0048 4.3899 6.1276 2.5107 3.2645 5.0651 3.1880 2.0416 2.0675 2.1984 1.9843 7.0054 3.2063 3.6364 1.9262 1.7097 1.6177 1.7444 1.6294 1.7219 1.9024 1.6584 6.1903 6.7060 4.4245 13.0077 11.5692 12.8016 20.2003 11.1234 11.0583 11.4909 26.4561 24.7362 30.8089 6.2714 6.3161 6.3499 6.3654 6.9053 6.9321 6.9489 6.9707 6.8857 6.9956 7.1400 7.1603 7.1126 7.2222 7.2976 7.3303 7.3682 7.4045 7.4235 7.8190 10.6755 0.6360 0.2180 0.3267 0.5816 2.0899 0.3044 3.6033 2.1813 0.4999 0.6941 1.3677 2.4055 1.7095 5.2484 0.6491 0.1169 0.9046 0.7836 1.8862 0.7886 7.8669 3.3567 7.2302 10.8249 8.4758 2.4241 60.1633 25.5604 48.8651 16.3298 0.9347 2.5055 0.3823 1.7186 3.2643 5.4510 5.2565 6.5804 19.7559 16.1953 0.4677 2.1318 0.7045 4.1700 2.4286 0.7862 10.0321 17.3906 6.5334 2.9949 9.6867 3.4593 37.1004 11.0123 9.0577 54.9796 2.4233 0.6505 10.3007 25.0087 4.4723 4.7573 25.0943 8.7148 43.9080 5.4620 1.1833 22.1522 23.2246 3.5616 12.3950 52.1876 52.4328 48.2078 160.6868 2.7805 2.7664 34.1821 0.1555 7.3175 1.4452 31.1166 0.5394 13.7727 0.9903 3.1452 57.5199 46.4741 4.5525 1.1538 3.0200 6.5737 4.7606 45.6965 9.8621 78.0598 44.0416 173.1449 30.9478 30.9080 6.9447 242.3237 180.6697 69.3990 9.7619 172.9354 453.8106 37.1252 113.6808 68.0480 28.8425 589.0936 51.0378 28.0710 208.3724 241.0063 165.3455 313.7692 59.2822 19.3315 867.5261 32.6996 25.5893 106.9982 8.8962 3.0184 75.8107 7.9613 15.8590 0.5239 4.9185 446.9904 53.4136 104.1932 80.6619 176.3298 31.3256 621.8784 82.7955 47.6165 49.3648 404.4688 283.6690 369.0808 53.3909 5.7167 20.7170 48.6309 20.8844 24.3124 12.8492 34.5841 15.2278 29.5052 14.6623 32.5864 37.1049 35.2286 17.0180 8.6132 3.1322 23.5587 16.7385 10.1502 65.3075 0.3134 5.5598 6.4760 2.8890 3.3398 1.9686 0.8768 1.4367 1.3678 1.0670 0.9988 1.2649 0.4151 0.4400 0.9815 0.0930 0.4430 0.5822 1.6616 1.3021 0.4358 0.5655 1.9664 1.0418 0.7266 0.7348 1.4258 0.6623 1.2273 1.2593 0.9913 1.6734 1.4207 1.6595 1.8725 2.2488 3.0363 1.1355 2.5289 2.1582 0.1302 0.8894 1.1868 4.0394 4.0351 2.9482 3.6972 9.4493 0.4481 7.1046 5.5653 1.9055 3.8817 5.5212 7.7236 2.3434 5.1795 2.6286 3.9670 2.4690 12.2412 6.1956 2.7819 5.7650 4.1513 2.6629 2.4118 4.7905 2.6630 8.2854 4.6589 3.4739 26.6265 4.7690 11.3914 5.8141 3.7139 0.4460 6.6838 40.2215 0.5361 4.9268 3.7679 14.8821 0.1466 2.8457 40.7439 15.9839 1.9794 1.1159 0.7272 12.5372 3.6288 24.9647 3.1494 29.4129 7.9162 4.3838 36.0695 5.0788 13.1383 61.0643 6.6204 53.7405 1.2181 6.6986 27.7695 221.8773 74.8211 41.3477 174.9928 91.1274 102.9462 30.4920 40.3236 1.7882 74.2641 138.5794 47.0179 11.5840 42.8076 19.6873 2.6464 57.7298 39.4274 24.3289 24.9714 23.7929 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12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 12.00000 12.00000 15.99491 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 9134.8473 32439.2063 38430.7250 1.00000 0.00259 -0.00141 -0.00258 0.99999 0.00293 0.00142 -0.00293 0.99999 1 0.00948 0.00267 0.00225 0.19757 0.05563 0.04696 21.82 34.98 39.44 42.26 54.85 64.01 79.05 87.23 118.26 124.22 125.95 148.35 165.24 205.38 212.44 217.85 219.33 224.95 240.83 257.30 266.76 298.95 321.23 334.83 352.15 357.44 413.42 416.32 423.05 446.19 461.33 478.90 498.68 521.94 530.37 546.03 561.29 631.05 647.66 656.94 664.31 709.36 717.14 745.00 785.68 818.41 821.28 851.99 856.56 873.17 884.85 893.04 911.86 934.33 983.84 1001.16 1007.33 1014.95 1039.61 1069.05 1078.01 1087.63 1165.02 1183.09 1217.92 1244.10 1250.07 1259.49 1277.78 1290.48 1305.13 1312.70 1334.74 1356.36 1373.89 1403.64 1458.22 1484.22 1525.07 1543.39 1557.53 1566.99 1570.18 1584.70 1599.80 1626.01 1642.91 1654.55 1655.39 1691.13 1692.31 1693.92 1695.67 1712.95 1713.93 1717.84 1788.61 1808.94 1860.57 1865.74 1885.80 1905.60 1947.95 1991.70 2001.44 2002.45 2009.82 2038.27 2066.06 2090.37 2100.67 2110.42 2161.07 2173.38 2185.66 2197.63 2228.15 2230.23 2253.58 2258.48 2268.79 2307.28 2315.58 2319.80 2324.99 2331.97 2335.56 2339.25 2346.15 2355.10 2359.42 2365.88 2404.24 2439.75 2490.55 2508.86 2536.47 2567.00 2591.37 2624.81 2659.65 2734.44 2801.55 2880.44 4612.94 4622.65 4624.71 4633.69 4694.62 4701.14 4708.76 4709.95 4717.91 4734.53 4768.47 4775.79 4787.56 4823.08 4851.23 4854.29 4857.03 4877.96 4878.94 5004.25 5930.24 0.461561 0.492429 0.493373 0.396410 -1986.036088 -1986.005220 -1986.004276 -1986.101239 3.252155D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE Cc1cccn2c1nc(c2C(=O)C3=C(C(=O)N([C@@H]3c4ccc(cc4)O)c5nc(c(s5)C(=O)C)C)[O-])C C40003343 RHF 6-31G(d) (6D,10F) C1 501.123267 |X|Y|Z| 65.143239 129.237500 32.321837 64.801438 26 6 7 16 21 4 1 |36.858105| |12.671607|36.858105| |7.546571|14.103586|36.858105| |4.964422|7.856823|13.307005|36.858105| |4.421300|6.786932|7.917308|14.169858|36.858105| |5.045766|7.875775|6.976746|8.144468|13.930030|53.358707| |7.560845|13.299740|8.005489|6.915621|7.953381|18.977871|36.858105| |6.407350|7.722370|5.252549|4.709412|5.438719|11.723841|14.604791|53.358707| |4.437234|5.388113|4.273392|4.267264|5.390054|11.872329|8.957673|19.056767|36.858105| |4.038926|5.334786|4.647448|5.170517|7.581615|18.624715|8.619294|11.526599|13.940187|36.858105| |3.100871|3.894256|3.689028|4.339163|6.239331|10.378559|5.256433|6.968037|7.222195|12.782674|36.858105| |2.909239|3.670559|3.657637|4.514422|6.509662|9.126428|4.641559|5.818210|5.355775|8.218119|15.547934|73.516695| |2.643464|3.151460|2.978649|3.375901|4.412137|6.962077|4.035578|5.667846|5.740102|7.484994|13.376115|14.640769|36.858105| |2.569948|2.966396|2.746317|2.991568|3.717802|5.961252|3.745817|5.508977|5.480701|6.072679|7.412505|9.293544|13.580118|36.858105| |2.128976|2.395783|2.262102|2.455066|2.937476|4.456954|2.881269|4.179499|3.860995|4.148839|5.078372|7.355322|8.138191|12.387719|36.858105| |1.962721|2.162001|2.037137|2.172853|2.529861|3.809846|2.545440|3.720655|3.313981|3.412140|3.899496|5.852741|5.443823|7.746219|15.973124|73.516695| |2.008945|2.280205|2.194297|2.427806|2.919477|4.291212|2.712215|3.834673|3.496751|3.922530|5.192373|8.086827|8.193792|8.092845|13.805072|14.865267|53.358707| |2.214074|2.585316|2.515953|2.869208|3.588426|5.214747|3.127520|4.304011|4.000347|4.876815|7.579529|12.179336|12.566989|7.890460|8.007386|9.620148|17.527008|36.858105| |2.140856|2.482099|2.414560|2.737053|3.383310|4.904608|2.981744|4.121953|3.794876|4.521394|6.772108|12.080694|8.786667|5.959953|6.079617|8.035257|12.404806|17.626357|0.500000| |2.096415|2.465124|2.483170|2.911881|3.592516|4.849235|2.880344|3.802702|3.344805|4.144470|5.997045|11.105998|7.410261|5.506194|5.594959|7.631674|10.486191|12.471389|0.248495|36.858105| |1.951743|2.283607|2.340750|2.762183|3.322441|4.328929|2.603299|3.392890|2.897053|3.531765|4.826947|10.001752|5.183589|4.013753|4.076864|5.951314|7.296613|7.506569|0.204710|13.725419|36.858105| |1.823805|2.122133|2.219249|2.630189|3.055602|3.846488|2.351346|3.019830|2.498091|2.994497|3.807228|7.791723|3.931691|3.257548|3.300172|5.040818|5.496330|4.986374|0.133401|7.871432|13.774979|36.858105| |1.813191|2.106266|2.217649|2.627084|3.007483|3.750413|2.309420|2.948913|2.410836|2.872101|3.531360|6.878276|3.692694|3.203762|3.238898|5.036569|5.144176|4.406052|0.110925|6.813024|7.965629|13.760078|36.858105| |1.926751|2.245675|2.338068|2.756539|3.204898|4.072587|2.495100|3.203556|2.648234|3.171309|3.916996|7.204499|4.286211|3.821979|3.856911|5.933822|5.959959|4.984133|0.116396|7.881922|6.917355|7.955264|13.763057|36.858105| |2.080094|2.440729|2.482692|2.911654|3.520082|4.662270|2.803837|3.661135|3.139969|3.834820|5.062560|8.863647|6.087876|5.236850|5.285073|7.583253|8.482338|7.499725|0.155572|13.751209|8.025030|6.901899|7.948427|13.744391|36.858105| |1.671924|1.920436|2.043707|2.397885|2.649228|3.268974|2.057942|2.617302|2.093128|2.441615|2.870537|5.559036|2.936677|2.627166|2.651610|4.248918|4.073860|3.351489|0.086783|4.582965|5.261848|8.092711|13.995510|7.925856|5.208904|73.516695| |1.761367|1.968465|1.909917|2.097128|2.455014|3.533424|2.282944|3.213805|2.828145|3.094187|3.884194|6.448016|5.243680|5.188479|7.855376|11.955355|19.084981|7.645009|0.194888|6.098688|4.935159|3.874749|3.578385|3.951862|5.089385|5.161752|36.858105| |1.670300|1.868292|1.833036|2.026059|2.356051|3.324511|2.141658|2.975387|2.577817|2.847703|3.586309|6.301409|4.479931|4.107950|5.296245|8.226595|11.193528|6.689787|0.197086|5.990064|5.554854|4.303666|3.747492|3.869920|4.703714|5.419850|14.768246|53.358707| |1.494323|1.648783|1.620526|1.771236|2.017379|2.830460|1.859789|2.587151|2.193529|2.370895|2.855330|5.037386|3.413500|3.264735|4.123940|6.958148|7.425733|4.531439|0.131823|4.305189|4.209702|3.586352|3.214774|3.254659|3.698151|4.878437|8.658569|19.007737|36.858105| |1.439544|1.573077|1.536482|1.660658|1.876460|2.654951|1.769079|2.483055|2.094304|2.221322|2.605348|4.481726|3.140673|3.172178|4.151381|7.539241|6.860307|3.921249|0.108878|3.664166|3.426097|3.009442|2.828042|2.955807|3.344307|4.375478|7.819610|11.243162|14.008781|36.858105| |1.586075|1.736908|1.678108|1.807530|2.063774|2.974016|1.980832|2.814564|2.414261|2.543082|2.984338|4.921899|3.802091|4.117279|6.122553|12.142591|9.505925|4.629439|0.120005|4.058593|3.480690|2.987279|2.889195|3.192802|3.810899|4.384978|10.964793|10.113290|7.465094|10.824203|388.023441| |1.300300|1.405812|1.374864|1.472961|1.639925|2.310808|1.561315|2.190967|1.816629|1.901895|2.171299|3.752610|2.536835|2.588003|3.234203|6.045289|4.979769|3.010901|0.083825|2.877740|2.754345|2.516133|2.403379|2.482865|2.708516|3.842657|4.903953|6.955342|7.458804|12.955863|47.889454|36.858105| |1.225550|1.322397|1.299536|1.392350|1.540068|2.153555|1.457902|2.034875|1.672646|1.753610|1.992425|3.494785|2.275869|2.279662|2.748313|5.027326|4.240300|2.687094|0.076065|2.618459|2.587014|2.406500|2.279263|2.299727|2.454458|3.703952|4.002552|6.006410|6.389370|8.095757|34.291321|15.851137|73.516695| |1.263448|1.354703|1.318297|1.399430|1.548170|2.194541|1.499683|2.117692|1.744778|1.801236|2.015358|3.432146|2.351967|2.476658|3.092188|6.065291|4.471865|2.681612|0.073151|2.542383|2.382363|2.197017|2.148201|2.262309|2.463313|3.469188|4.126606|5.373308|4.933723|7.468266|43.688848|12.555118|14.374716|36.858105| |1.397566|1.538192|1.524708|1.668396|1.879244|2.599370|1.713731|2.361870|1.971462|2.133604|2.537819|4.616745|2.887846|2.696542|3.185838|5.350390|5.467039|3.708733|0.111673|3.698370|3.935533|3.505722|3.057895|2.941128|3.182854|4.781111|5.336657|10.669761|12.708883|7.404786|33.588569|5.932548|11.106897|4.045313|36.858105| |2.773771|3.148673|2.840016|2.996313|3.633645|6.007916|3.996170|6.107491|5.971491|5.923979|5.953772|7.714477|7.877946|15.715306|8.002036|11.793174|7.449455|5.272014|0.121062|4.178904|3.249064|2.763575|2.775954|3.289047|4.207726|4.173933|4.020428|4.481006|2.749440|2.735031|24.877494|2.309155|3.639887|2.265128|2.320048|73.516695| |3.531058|3.895556|3.222310|3.197913|3.823790|7.090470|5.377658|10.507726|12.739693|7.363270|5.659202|7.720910|5.385048|5.687912|4.172147|6.521455|4.967098|3.911795|0.104872|3.127880|2.702951|2.312441|2.218811|2.433134|2.902021|3.432849|2.975887|3.627539|2.283918|2.212638|18.432649|1.920445|3.119728|1.860145|2.027127|11.315152|36.858105| |17.559977|8.884552|7.182869|4.669349|3.939425|5.686212|5.553295|6.423367|3.572187|3.378690|2.716318|4.628856|2.345072|2.275584|1.922451|3.171052|2.489669|2.008163|0.054064|1.931979|1.819019|1.722369|1.720106|1.814320|1.928901|2.852559|1.621379|2.106498|1.394410|1.343651|10.442295|1.220757|2.054209|1.186738|1.312820|4.320954|2.942537|0.500000| |17.558079|8.887842|5.891337|4.278266|3.981585|6.320550|6.781157|8.772257|4.452210|3.906446|3.018712|5.055227|2.578101|2.496383|2.083189|3.418441|2.687171|2.171383|0.059093|2.029304|1.900588|1.763894|1.733981|1.829045|1.983711|2.838097|1.739474|2.253420|1.484177|1.428198|11.144590|1.291806|2.168187|1.253817|1.391910|4.753792|3.654622|0.300049|0.500000| |17.559985|8.889974|5.894730|4.279237|3.982079|6.326977|6.782690|8.768240|4.465069|3.921827|3.014349|4.907987|2.639433|2.639882|2.181131|3.609177|2.754415|2.194919|0.058383|2.066109|1.900255|1.773300|1.776882|1.909591|2.071012|2.909384|1.770381|2.262739|1.490502|1.447695|11.448944|1.309814|2.185930|1.281527|1.384486|5.197522|3.649597|0.299993|0.303648|0.500000| |6.925427|9.050167|17.696540|8.788336|5.658904|6.811926|5.654515|5.701428|3.474972|3.681294|3.060379|5.451321|2.555135|2.386593|2.012688|3.262650|2.665068|2.212677|0.059271|2.205477|2.104427|2.025469|2.034783|2.126306|2.219185|3.389284|1.728957|2.270125|1.490254|1.417605|10.928292|1.278899|2.158226|1.229660|1.411459|4.388807|2.756641|0.217827|0.150904|0.150987|0.500000| |4.051092|5.620722|8.733552|17.744873|9.103331|7.825440|4.976298|5.067163|3.476028|4.151192|3.753671|7.179002|3.024715|2.683561|2.264723|3.587365|3.089556|2.670459|0.071046|2.792887|2.713018|2.657154|2.676430|2.755951|2.820507|4.430636|1.990150|2.645114|1.711253|1.599975|12.243432|1.425809|2.408822|1.351312|1.627174|4.721280|2.734806|0.111130|0.098975|0.098935|0.212037|0.500000| |3.545984|4.919664|5.589433|8.894534|17.837157|12.517282|5.729021|6.056468|4.751951|6.918238|6.985780|14.670730|4.859095|3.887567|3.118503|4.699166|4.349172|4.086535|0.106382|4.281973|4.002572|3.670584|3.577719|3.777048|4.146928|5.478244|2.675892|3.532249|2.194478|2.014500|15.655236|1.744861|2.914883|1.630751|2.047798|6.458680|3.568763|0.089717|0.091010|0.090896|0.123259|0.213153|0.500000| |1.919652|2.232227|2.271754|2.651540|3.172649|4.194293|2.548638|3.352387|2.868269|3.447318|4.678140|10.005701|4.880293|3.749725|3.808057|5.604560|6.846596|6.998648|0.228196|8.948168|17.731082|8.965787|5.667997|4.976095|5.688003|7.565275|4.789949|7.800548|4.341266|3.424536|23.969774|2.758004|4.661855|2.355251|4.223943|5.429719|2.711843|0.049642|0.052517|0.051622|0.056819|0.072004|0.104401|0.500000| |1.717578|1.982564|2.084548|2.453582|2.787976|3.489789|2.166230|2.779262|2.266884|2.673797|3.295241|6.813375|3.317798|2.792750|2.826605|4.403760|4.621997|4.067088|0.114000|5.608660|8.873751|17.725251|8.957148|5.663054|4.967663|13.218299|3.350118|5.180788|3.311148|2.770557|18.969988|2.369439|4.110608|2.060977|3.404182|4.294227|2.107589|0.045367|0.046365|0.046148|0.053385|0.069665|0.091702|0.214794|0.500000| |1.879581|2.172242|2.269074|2.644341|2.998667|3.806317|2.378031|3.049424|2.478078|2.909704|3.428082|6.148137|3.717104|3.489689|3.509909|5.590386|5.137299|4.071202|0.096234|5.621130|4.971093|5.646298|8.902171|17.667691|8.903125|12.727642|3.444030|4.498241|2.879172|2.699288|20.928782|2.322029|3.825134|2.160651|2.608128|5.548797|2.279214|0.049461|0.049216|0.052110|0.057858|0.073909|0.095643|0.107850|0.124345|0.500000| |2.156532|2.517673|2.522130|2.905169|3.503328|4.786671|2.917546|3.861235|3.333662|4.002062|5.076419|8.196538|6.472928|6.253712|6.234058|8.917550|8.846833|6.951178|0.140365|8.920746|5.677379|4.967018|5.664847|8.970818|17.713853|7.488668|5.024343|5.872444|3.462696|3.272357|28.093255|2.670823|4.240347|2.494902|2.915993|8.997694|3.103599|0.055225|0.056818|0.060458|0.062438|0.076962|0.110687|0.124587|0.107775|0.216712|0.500000| |1.659905|1.899417|2.023192|2.358956|2.579469|3.187807|2.023203|2.572098|2.043521|2.366566|2.732348|5.173584|2.810484|2.573138|2.592618|4.203687|3.887703|3.127072|0.079752|4.157146|4.439726|6.055375|10.017582|7.826819|5.001288|35.786248|2.754257|3.842774|2.564068|2.351912|17.024678|2.084517|3.553767|1.910194|2.477513|4.145933|1.884464|0.044368|0.043787|0.045376|0.052647|0.068197|0.082256|0.101171|0.151751|0.231919|0.117451|0.500000| |1.298315|1.387040|1.339928|1.414637|1.567842|2.245049|1.542596|2.198865|1.818821|1.856967|2.064194|3.478416|2.421900|2.588259|3.255599|6.531069|4.594581|2.718317|0.074353|2.504055|2.318572|2.109538|2.053919|2.178010|2.407763|3.297965|4.170584|5.248609|4.599425|6.722634|45.447878|8.831924|11.024471|17.549579|3.715358|4.233397|1.968742|0.033757|0.035904|0.036680|0.034651|0.037732|0.045608|0.064071|0.054812|0.057700|0.068474|0.050448|0.500000| |1.179250|1.258279|1.227180|1.298310|1.425423|2.012072|1.382620|1.947762|1.589614|1.635671|1.812403|3.108077|2.077949|2.171644|2.630769|5.095930|3.778907|2.339900|0.064293|2.244673|2.136929|1.999500|1.958296|2.039416|2.183644|3.209774|3.371270|4.508442|4.083803|5.529003|32.426986|8.957482|13.775115|17.620882|3.610127|3.571676|1.688425|0.030889|0.032542|0.033197|0.031946|0.034945|0.041585|0.058929|0.052716|0.054461|0.061136|0.049174|0.299060|0.500000| |1.283510|1.378557|1.343975|1.428884|1.580385|2.234822|1.524697|2.146477|1.766445|1.830089|2.045882|3.465535|2.402430|2.563316|3.229905|6.455544|4.588774|2.724431|0.072693|2.621377|2.421075|2.251404|2.243314|2.399493|2.603776|3.624543|4.163957|5.237909|4.592264|6.719391|45.395589|8.833304|11.031466|17.548717|3.710443|4.186528|1.870918|0.033506|0.035206|0.036273|0.034822|0.038360|0.046278|0.065298|0.058128|0.064375|0.074150|0.055940|0.302284|0.299094|0.500000| |1.406438|1.557266|1.558083|1.720635|1.936968|2.641024|1.727099|2.353021|1.954921|2.144999|2.569949|4.759079|2.885884|2.649401|3.066167|5.074364|5.280963|3.742101|0.111417|3.974063|4.455583|4.100720|3.500968|3.252687|3.423437|5.477996|4.914428|9.668112|9.005710|5.843822|29.702450|4.806859|8.936391|3.507572|17.552747|4.048416|1.975262|0.036814|0.038744|0.038577|0.040105|0.046961|0.059233|0.131678|0.112451|0.079120|0.084760|0.077551|0.088953|0.088163|0.092879|0.500000| |1.299330|1.418603|1.405653|1.526586|1.701486|2.352870|1.568198|2.165167|1.789095|1.914279|2.230059|4.029925|2.512777|2.395290|2.814777|4.855163|4.620896|3.103020|0.091593|3.098032|3.251865|2.997499|2.693167|2.602726|2.764705|4.323699|4.382157|7.745930|8.864896|6.937648|30.534040|6.689634|14.636901|4.374425|17.700590|3.735815|1.846744|0.034026|0.035966|0.035839|0.036351|0.041456|0.051070|0.095127|0.081766|0.065503|0.071560|0.062980|0.108198|0.112039|0.108254|0.298972|0.500000| |1.421464|1.563856|1.546026|1.688873|1.905067|2.645816|1.746317|2.413451|2.018111|2.177901|2.590628|4.758639|2.902463|2.665806|3.076997|5.100920|5.258898|3.696232|0.116401|3.569231|3.859798|3.365831|2.872072|2.743758|2.995111|4.491366|4.897042|9.609136|8.994905|5.859656|29.714904|4.836944|9.006434|3.525670|17.546138|4.077550|2.083380|0.037035|0.039551|0.038954|0.039707|0.045635|0.057548|0.120790|0.092108|0.067377|0.076251|0.064372|0.093482|0.088660|0.089157|0.302978|0.299270|0.500000| |3.019197|3.369307|2.909738|2.982625|3.615575|6.395622|4.483717|7.745745|8.892771|6.864682|6.236247|8.410029|6.385560|6.547476|4.867662|7.363774|5.873154|4.623480|0.126627|3.483223|2.983606|2.489849|2.350215|2.568318|3.122619|3.592949|3.456324|4.180235|2.585843|2.485089|20.850629|2.122953|3.429477|2.035436|2.268526|11.630713|17.613619|0.071753|0.086485|0.085139|0.069761|0.072183|0.097597|0.084289|0.062782|0.065831|0.091860|0.054365|0.060121|0.050926|0.056492|0.060893|0.056872|0.065224|0.500000| |3.345778|3.596569|2.999593|2.953482|3.455706|6.169432|4.743643|8.892425|8.946854|5.993166|4.852195|6.684084|4.984348|5.907543|4.354173|7.060909|4.908871|3.679598|0.095849|2.986137|2.547567|2.205349|2.152941|2.395721|2.853777|3.345496|2.947091|3.520179|2.239023|2.210690|18.805495|1.929498|3.112117|1.897187|1.967431|13.400078|17.608531|0.078221|0.094147|0.099548|0.072281|0.070937|0.089973|0.069915|0.055624|0.063207|0.086895|0.051470|0.056042|0.047753|0.053406|0.053128|0.050133|0.055543|0.302688|0.500000| 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