Version2.1 2020-12-27T22:58:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)c3c([nH]c4c3cccc4)C)[N+](=O)[O-] C30577627 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)c3c([nH]c4c3cccc4)C)[N+](=O)[O-] C01[X(C23H27N4O5S1)] 174 C1 553 C[C@@H](C(=O)c1c(C)[nH]c2c1cccc2)[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-] C[C@@H](C(=O)c1c(C)[nH]c2c1cccc2)[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-] C[C@H]([NH+]1CCN(CC1)[S](=O)(=O)c2cc(ccc2C)[N+]([O-])=O)C(=O)c3c(C)[nH]c4ccccc34 InChIKey=QYBXKYJVEOOWSC-KRWDZBQOSA-O InChI=1S/C23H26N4O5S/c1-15-8-9-18(27(29)30)14-21(15)33(31,32)26-12-10-25(11-13-26)17(3)23(28)22-16(2)24-20-7-5-4-6-19(20)22/h4-9,14,17,24H,10-13H2,1-3H3/p+1/t17-/m0/s1 InChI=1/C23H26N4O5S/c1-15-8-9-18(27(29)30)14-21(15)33(31,32)26-12-10-25(11-13-26)17(3)23(28)22-16(2)24-20-7-5-4-6-19(20)22/h4-9,14,17,24H,10-13H2,1-3H3/p+1/t17-/m0/s1/fC23H27N4O5S/h25H/q+1 Cc1ccc(cc1S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)c3c([nH]c4c3cccc4)C)[N+](=O)[O-] C01[X(C23H27N4O5S1)] 174 C01 553 C[C@@H](C(=O)c1c(C)[nH]c2c1cccc2)[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-] C[C]1[CH][CH][C]([CH][C]1[S@@]([O])(=O)N1CC[NH](CC1)[C@H]([C]([C]1[C]([NH][C]2[C]1[CH][CH][CH][CH]2)C)=O)C)[N]([O])[O] C[C]1[CH][CH][C]([CH][C]1[S]([O])(=O)N2CC[NH](CC2)[C@@H](C)C(=O)[C]3[C](C)N[C]4[CH][CH][CH][CH][C]34)N([O])[O] InChIKey=RKODOWVODRUMPH-KRWDZBQOSA-N InChI=1S/C23H27N4O5S/c1-15-8-9-18(27(29)30)14-21(15)33(31,32)26-12-10-25(11-13-26)17(3)23(28)22-16(2)24-20-7-5-4-6-19(20)22/h4-9,14,17,24-25H,10-13H2,1-3H3/t17-/m0/s1 InChI=1/C23H27N4O5S/c1-15-8-9-18(27(29)30)14-21(15)33(31,32)26-12-10-25(11-13-26)17(3)23(28)22-16(2)24-20-7-5-4-6-19(20)22/h4-9,14,17,24-25H,10-13H2,1-3H3/t17-/m0/s1 3580.7794852670 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7.2886 7.4821 7.3577 7.4570 7.4292 7.5754 7.6254 7.6965 8.3609 9.6122 0.9671 3.5600 3.8982 1.0120 0.9402 0.7897 2.5635 2.3594 4.1605 1.0353 0.8526 0.2889 1.8964 0.2947 4.8937 2.6084 2.1009 7.6504 0.6752 1.5980 9.4806 1.6716 1.9777 5.1026 5.7356 1.2038 3.6124 9.3709 16.6367 2.7236 5.3389 2.4523 0.3222 12.6572 0.4846 8.3049 12.7799 3.3092 18.7710 2.5699 2.2779 26.9185 1.6833 82.2078 20.8980 5.9268 3.2182 2.9843 5.0220 194.5306 37.9006 15.4231 18.1444 2.2169 9.9444 92.2551 4.0667 25.6012 135.3172 33.8392 23.3648 74.7458 29.4303 15.8196 34.0057 1.5802 0.9524 7.5175 11.0147 0.8841 33.8290 45.0177 6.9878 278.8192 128.4932 1.2269 64.0186 18.1125 1.7630 1.1663 11.4739 64.4647 37.1286 15.2922 0.4274 13.5200 7.1570 30.7329 15.8304 9.1718 68.3733 3.6346 12.3128 11.8464 5.1632 123.9131 54.5252 41.4465 12.1791 29.0323 12.6316 17.2041 95.9314 12.6834 20.3367 15.6714 41.2967 24.5787 17.6256 160.7085 50.5148 12.0409 12.0281 131.5729 50.0040 12.2902 101.2629 450.0610 25.4860 18.6862 3.8210 1.3038 41.5153 53.2859 93.0140 50.2871 8.7466 50.1546 8.1039 215.1544 1.4081 18.0923 10.3781 66.8326 24.4574 15.6223 31.3937 32.1577 39.6900 13.6452 30.8527 20.8974 8.1094 42.7763 5.4571 489.9210 332.1616 12.8008 11.3345 3.9495 8.0075 26.6774 5.6512 6.9470 14.8557 12.9988 1.1197 6.0943 10.2926 3.1417 26.4589 7.2498 1.7990 1.0703 0.0488 1.2994 11.9857 19.2876 4.0647 3.6546 4.7362 17.2047 123.1139 137.6500 1.0343 1.5185 0.6712 2.4321 1.8102 5.1354 3.4675 0.9335 0.5716 1.9362 0.5275 1.8527 0.2111 2.3011 0.8757 0.1819 1.7964 0.9924 0.8952 1.6950 0.5085 0.5912 0.5846 1.3717 2.3655 0.5499 3.5021 1.0755 0.7908 2.8772 0.5347 3.6162 1.3397 0.5998 0.2954 2.3078 1.0029 0.5800 0.6780 3.1195 9.2888 1.1107 1.8214 1.8728 1.4657 1.9178 0.9210 1.7360 0.8154 7.5320 5.8789 5.3290 3.3387 3.1538 12.6579 7.7665 7.5407 4.5608 3.9169 2.5679 3.3750 2.9522 3.0491 6.0134 1.7163 4.3291 13.1006 0.8965 1.2103 1.9461 2.8244 9.0860 3.6441 2.7790 9.8906 0.0614 7.8619 2.4744 1.2946 7.4275 2.4936 12.8767 11.9313 4.9385 0.7519 10.1721 2.4934 1.9823 5.5014 0.2971 34.9480 4.5182 6.3935 6.1382 16.0481 1.6277 27.5538 29.0358 9.2541 9.4430 10.2195 6.0788 2.4791 38.4915 28.9931 44.9546 2.6123 1.3062 11.9655 3.3649 15.2394 19.9551 7.5802 37.5922 7.0676 0.9808 17.4606 77.3564 0.6018 15.6133 12.3746 7.6997 20.7074 16.6869 18.2172 36.4870 12.6475 22.5799 23.4937 35.9531 4.4399 5.2796 3.6040 40.2925 21.0139 11.3693 11.1894 44.2931 4.9900 13.6372 98.5255 17.7997 20.4334 69.4284 17.9723 1.0989 152.2397 178.4634 139.7006 11.0589 101.1221 117.8938 47.6455 89.9986 71.3311 64.2059 86.1042 25.6437 62.1013 73.4600 53.4723 56.1334 51.5894 20.6795 51.6810 34.8347 106.3299 237.2906 95.4442 63.1536 101.1967 22.7597 44.7508 106.0054 0.7485 0.7457 0.7482 0.7398 0.7339 0.7411 0.7373 0.3815 0.6149 0.7498 0.7433 0.7471 0.5242 0.7232 0.6906 0.7110 0.5795 0.4480 0.6705 0.4735 0.3567 0.7418 0.7150 0.3772 0.5236 0.6826 0.2438 0.6523 0.7392 0.5920 0.7417 0.3267 0.4685 0.5667 0.1780 0.5279 0.0293 0.6660 0.7426 0.5620 0.2664 0.6528 0.7430 0.6329 0.5937 0.1311 0.2826 0.1869 0.3994 0.1220 0.7020 0.6654 0.5036 0.7387 0.0748 0.0792 0.0765 0.1079 0.5409 0.6898 0.2297 0.1712 0.7498 0.0252 0.2769 0.7117 0.1766 0.7224 0.7468 0.6600 0.3737 0.1815 0.2968 0.7317 0.4200 0.5205 0.3588 0.5942 0.3011 0.3100 0.3217 0.4270 0.1861 0.4397 0.6965 0.5236 0.7229 0.0915 0.7416 0.7500 0.2113 0.2461 0.7488 0.5300 0.4096 0.6477 0.1130 0.3394 0.6463 0.2252 0.2138 0.4390 0.6900 0.4697 0.2112 0.3248 0.5937 0.3288 0.5120 0.7136 0.6126 0.6474 0.6488 0.6868 0.5629 0.3782 0.3885 0.4145 0.7463 0.4587 0.3989 0.5092 0.2600 0.3823 0.6758 0.7482 0.2412 0.7469 0.6685 0.2372 0.4399 0.7457 0.7198 0.3215 0.7484 0.6808 0.1973 0.1436 0.6823 0.4341 0.2284 0.4386 0.7135 0.6767 0.7158 0.7279 0.2956 0.0634 0.0149 0.4411 0.0674 0.1406 0.1705 0.6983 0.3690 0.7303 0.0932 0.7405 0.7498 0.4062 0.5687 0.5048 0.3395 0.6953 0.5453 0.6490 0.7457 0.1717 0.3465 0.1718 0.2454 0.2087 0.1679 0.2040 0.8562 0.8543 0.8559 0.8504 0.8465 0.8513 0.8488 0.5523 0.7615 0.8570 0.8527 0.8552 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0.8441 0.1705 0.8509 0.8570 0.5777 0.7251 0.6709 0.5069 0.8202 0.7057 0.7871 0.8544 0.2931 0.5146 0.2932 0.3941 0.3453 0.2875 0.3388 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 6 6 6 6 6 6 6 16 8 8 7 6 6 7 1 6 6 6 1 6 6 8 6 6 7 1 6 6 6 6 6 6 6 7 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 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 5122.9189 42543.9859 45592.3798 0.99996 0.00826 -0.00238 -0.00830 0.99981 -0.01769 0.00224 0.01771 0.99984 1 0.01691 0.00204 0.00190 0.35229 0.04242 0.03958 19.54 20.22 38.22 43.68 69.17 71.17 89.19 120.10 130.14 162.49 168.75 180.69 211.00 214.52 219.41 243.86 272.43 295.59 318.50 344.05 372.28 396.43 409.00 439.27 453.59 457.25 462.24 471.53 497.12 502.22 518.74 570.02 577.71 622.57 638.78 659.81 693.91 696.25 711.88 735.48 757.34 781.87 792.56 831.57 838.17 857.65 883.00 896.79 905.55 939.28 973.71 998.42 1009.05 1023.99 1047.90 1056.97 1098.28 1114.04 1161.47 1185.59 1222.56 1225.25 1227.27 1248.31 1277.48 1305.24 1339.23 1378.11 1379.56 1403.28 1414.11 1443.52 1451.45 1467.21 1540.75 1553.68 1572.72 1574.13 1603.94 1604.58 1617.78 1617.99 1628.07 1630.72 1632.49 1648.71 1666.56 1673.36 1689.63 1692.20 1747.92 1756.43 1780.11 1783.15 1785.31 1792.57 1834.90 1855.39 1861.82 1873.46 1890.70 1912.51 1916.25 1954.18 1974.34 2008.15 2030.45 2040.53 2047.37 2086.24 2098.46 2113.87 2140.14 2144.94 2164.41 2179.71 2218.48 2227.87 2234.50 2237.84 2254.56 2259.65 2261.23 2273.08 2290.50 2338.98 2340.65 2342.35 2349.47 2351.34 2355.46 2356.36 2358.24 2362.51 2363.73 2372.79 2377.05 2388.60 2389.64 2392.31 2460.90 2526.57 2568.58 2588.26 2623.16 2699.75 2714.74 4639.02 4657.09 4661.63 4667.06 4671.32 4717.46 4724.94 4744.52 4756.15 4759.30 4775.20 4779.47 4781.10 4806.52 4827.57 4835.87 4842.17 4849.99 4860.32 4863.47 4886.61 4887.85 4931.72 4945.93 4974.04 5223.16 5587.95 0.527768 0.555808 0.556752 0.466117 -1875.397531 -1875.369491 -1875.368547 -1875.459182 3.039913D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1ccc(cc1S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)c3c([nH]c4c3cccc4)C)[N+](=O)[O-] C30577627 RHF 6-31G(d) (6D,10F) C1 471.170217 |X|Y|Z| 27.054515 49.218018 147.904364 58.181059 24 6 7 16 20 3 1 |36.858105| |12.615299|36.858105| |7.617636|13.713954|36.858105| |5.022547|7.851575|13.762204|36.858105| |4.431819|6.829892|8.002546|13.810999|36.858105| |4.955404|7.807481|6.878943|7.916183|13.810410|36.858105| |7.402035|13.546909|7.993130|6.894330|8.013722|13.757233|36.858105| |5.953776|6.838669|4.710461|4.205389|4.793780|7.107337|10.766456|388.023441| |4.159978|4.877728|3.833273|3.734111|4.552135|6.779225|7.344842|94.383094|73.516695| |6.241957|6.000953|4.232469|3.641129|3.883902|5.096792|7.207990|94.946615|13.709531|73.516695| |5.589231|5.675404|4.132154|3.637229|3.943209|5.196762|7.027782|81.185424|13.470501|13.704393|53.358707| |4.236211|4.597517|3.690219|3.453819|3.858828|4.938317|5.694955|50.868568|11.695643|8.926991|17.794988|36.858105| |3.265580|3.478564|2.917416|2.817371|3.187819|3.975476|4.256666|39.764784|11.044148|7.634260|10.426505|12.468955|36.858105| |3.051910|3.061443|2.567578|2.424801|2.651153|3.205666|3.548347|33.907351|8.768499|7.334541|8.969176|7.652172|12.705586|53.358707| |2.994438|2.943752|2.495139|2.336822|2.505476|2.957353|3.292325|29.707573|7.287534|6.575213|8.163587|7.069042|9.220999|25.615264|0.500000| |3.480294|3.345606|2.715431|2.495141|2.688779|3.290951|3.839102|40.223985|9.555827|9.535393|10.493282|6.599161|7.666478|17.218472|0.263096|36.858105| |4.690089|4.275859|3.295455|2.901890|3.053078|3.767948|4.762201|50.746004|9.857418|12.084163|17.752545|7.879316|6.598338|10.473362|0.202276|12.499208|36.858105| |2.472415|2.494481|2.158883|2.078355|2.275436|2.681328|2.853417|25.900143|7.062148|5.845032|5.967100|4.941544|7.591116|17.109332|0.263886|7.471105|4.928183|36.858105| |2.340294|2.411141|2.119525|2.073642|2.292109|2.679489|2.773715|24.232603|6.777393|5.322010|5.479464|4.845061|7.732905|12.500403|0.213420|5.620804|4.197166|17.639531|0.500000| |2.353625|2.381845|2.063791|1.997254|2.200706|2.603160|2.747041|25.412158|7.230243|5.944114|5.316022|4.070248|5.690165|10.222816|0.160542|6.582502|4.350675|12.458196|0.246581|36.858105| |2.250877|2.213595|1.940356|1.851883|1.981718|2.274744|2.440067|21.274678|5.502499|4.997854|4.938259|3.944806|5.131783|10.596283|0.230381|5.866659|4.271633|12.327854|0.245320|7.394168|36.858105| |2.403245|2.311526|2.013689|1.893222|1.997068|2.283399|2.500190|21.693345|5.369845|5.165512|5.248545|4.089301|4.909490|10.295929|0.268527|6.228656|4.791145|8.153729|0.174989|5.537454|15.772802|73.516695| |1.923765|1.899054|1.695091|1.633180|1.742294|1.965997|2.073171|17.541163|4.582846|4.177391|3.883262|3.070346|3.823023|6.768378|0.142339|4.139693|3.239404|7.268416|0.180732|5.930965|13.162501|14.555948|36.858105| |1.753426|1.756836|1.586540|1.548743|1.663558|1.864380|1.928034|16.048408|4.289787|3.793107|3.442375|2.752110|3.435112|5.582483|0.112738|3.429239|2.758850|5.912273|0.167482|5.393555|7.388700|9.339530|13.755160|36.858105| |1.579450|1.573078|1.433231|1.398845|1.489808|1.649465|1.704063|13.949891|3.683098|3.345330|2.954609|2.321609|2.775785|4.401286|0.090349|2.841219|2.366388|4.229206|0.117640|4.042975|5.238270|7.515450|8.601090|14.177405|53.358707| |1.473622|1.475356|1.353830|1.328986|1.416507|1.558558|1.596722|12.926383|3.430268|3.097858|2.700011|2.122242|2.511542|3.860647|0.078620|2.514920|2.130161|3.606039|0.102674|3.536034|4.179768|6.188228|6.009450|9.193395|26.047262|0.500000| |1.582103|1.554023|1.413080|1.366736|1.441384|1.591580|1.663800|13.614505|3.521053|3.310274|2.912602|2.250633|2.623624|4.253971|0.089634|2.829029|2.382444|3.902534|0.103642|3.668626|5.198280|8.031562|8.345504|8.468080|18.741029|0.250116|36.858105| |1.772484|1.726107|1.552264|1.488127|1.567213|1.745707|1.849120|15.371179|3.930669|3.740561|3.370884|2.596435|3.048667|5.210263|0.112588|3.444119|2.835948|4.823762|0.121432|4.283257|7.483286|11.697122|13.049744|8.349481|11.612849|0.165833|13.709804|36.858105| |1.784070|1.708514|1.535527|1.457658|1.517467|1.681712|1.802272|14.894521|3.718283|3.686190|3.288079|2.474976|2.792057|4.765343|0.105653|3.314298|2.823146|4.030971|0.099835|3.607187|5.908790|11.139798|7.221303|5.193829|7.301860|0.118856|7.934876|13.618861|36.858105| |1.599503|1.530346|1.389616|1.322415|1.369036|1.501169|1.599929|12.996080|3.239063|3.240654|2.813120|2.103351|2.323794|3.804370|0.083085|2.695153|2.370668|3.138363|0.080048|2.917026|4.160842|7.697656|4.994927|4.150290|6.339605|0.109798|6.988735|7.989078|13.844987|36.858105| |1.455025|1.406562|1.287151|1.235298|1.283225|1.400288|1.475578|11.883468|2.999499|2.948533|2.529744|1.906824|2.119182|3.380518|0.072439|2.367424|2.085188|2.838676|0.074327|2.700625|3.604011|6.305373|4.535472|4.170103|7.024786|0.126684|8.084789|6.863624|7.860177|13.587103|36.858105| |1.445948|1.413409|1.294511|1.251249|1.310061|1.433157|1.497414|12.088314|3.098288|2.968768|2.559309|1.954310|2.216003|3.512337|0.074220|2.403932|2.083895|3.059173|0.081555|2.934320|3.856023|6.362226|5.254023|5.286980|10.338413|0.185905|13.705432|7.788146|6.735274|7.882086|13.854066|36.858105| |1.733018|1.769538|1.607221|1.590235|1.730565|1.941468|1.968913|16.268162|4.478574|3.773701|3.415542|2.788090|3.561259|5.385669|0.104499|3.240443|2.635713|5.664722|0.182189|5.433698|5.637551|7.455953|7.168174|12.683459|10.653442|0.200208|5.222047|5.048096|3.701800|3.127863|3.174379|3.870631|36.858105| |3.310166|4.486799|5.125669|7.766243|13.078212|7.802214|5.138683|26.492023|6.793988|5.527153|4.335679|3.256430|2.847053|3.230049|0.062286|2.352413|2.568427|2.100099|0.059695|2.045551|1.833029|3.242910|1.636989|1.586437|1.942045|0.037973|1.369924|1.472897|1.416158|1.285007|1.215522|1.248166|1.671322|53.358707| |2.985189|3.880463|4.676894|7.078867|8.411419|5.443484|4.105133|21.935863|5.509878|4.759425|3.703164|2.769124|2.443942|2.838216|0.055392|2.069745|2.257236|1.865943|0.052993|1.815818|1.656147|2.941472|1.493285|1.450284|1.790999|0.035140|1.267836|1.356547|1.310421|1.197565|1.135740|1.163093|1.521637|21.782610|73.516695| |2.977566|3.882800|4.100489|5.428266|8.403998|7.125869|4.697211|26.392728|7.247651|5.422506|4.308612|3.322420|3.014349|3.364807|0.064071|2.412379|2.562998|2.217143|0.063747|2.176485|1.907577|3.329823|1.708515|1.671148|2.035418|0.039900|1.422724|1.523756|1.450907|1.313296|1.247742|1.290205|1.784482|21.728202|15.985879|73.516695| |17.588153|8.844298|5.865556|4.273743|3.955566|4.541340|6.627613|43.878636|7.539214|11.132446|9.366238|4.952473|3.670747|4.744375|0.096735|4.019855|5.862701|2.738660|0.071322|2.548101|2.508486|4.850663|2.108122|1.895151|2.311001|0.043707|1.709505|1.938011|1.960713|1.741649|1.569545|1.554673|1.855583|4.149746|4.868925|4.993090|0.500000| |17.606951|8.872159|5.981624|4.328215|3.972443|4.521277|6.519665|42.589174|7.448386|13.179739|7.043127|3.838021|3.104634|4.049981|0.079962|3.512353|4.629202|2.443673|0.063533|2.381525|2.224143|4.201229|1.909492|1.740492|2.139705|0.040746|1.577544|1.765502|1.780606|1.599968|1.455661|1.444657|1.715639|4.162441|4.907941|4.977316|0.302363|0.500000| |17.620313|8.917104|7.425540|4.823949|4.007491|4.163330|5.533724|31.739145|6.017057|8.266987|5.922436|3.548499|2.813136|3.612955|0.073439|2.959462|3.830331|2.199048|0.058233|2.089173|2.038673|3.879281|1.765999|1.616102|1.999729|0.038214|1.477332|1.645426|1.666366|1.508292|1.375202|1.361042|1.593684|4.194931|5.104662|4.861011|0.301876|0.301048|0.500000| |7.126508|8.950888|17.746834|8.975729|5.688105|4.957494|5.667755|27.588793|5.692348|6.528672|4.854937|3.199539|2.579988|3.167845|0.063648|2.467482|2.984438|1.977555|0.053783|1.888269|1.808698|3.360131|1.591608|1.487657|1.843307|0.035574|1.343295|1.472925|1.468420|1.337487|1.238118|1.238693|1.496834|5.670194|7.171602|6.059539|0.152491|0.156783|0.231875|0.500000| |4.102262|5.607715|8.888873|17.776944|8.949591|5.648379|4.967783|24.186521|5.524107|5.394966|4.134009|2.940173|2.464285|2.925157|0.057960|2.192957|2.507045|1.873575|0.052169|1.802740|1.688353|3.064679|1.505304|1.435295|1.776783|0.034594|1.276094|1.380714|1.354393|1.237031|1.160361|1.174657|1.474701|9.749297|14.119256|8.820047|0.099051|0.100463|0.114837|0.215526|0.500000| |4.041128|5.584506|4.962175|5.648758|8.945707|17.805579|8.889203|48.521886|14.376466|8.554892|6.775517|4.986081|4.298655|4.583867|0.084358|3.383105|3.681074|2.864619|0.080508|2.820872|2.374283|4.158732|2.056705|1.970476|2.355960|0.045527|1.652541|1.805163|1.718279|1.529259|1.433875|1.479384|2.083592|9.805232|8.859327|14.261349|0.106875|0.106226|0.095611|0.107723|0.124509|0.500000| |4.062746|4.218923|3.498161|3.232271|3.464067|4.152282|4.760385|38.353479|8.556991|7.484072|12.590995|17.560216|8.824004|9.270058|0.204320|5.744998|7.085477|4.571405|0.125195|3.634014|3.933718|7.569701|3.065025|2.711397|3.142537|0.058455|2.267152|2.633858|2.546660|2.163278|1.945827|1.977665|2.694157|4.027028|4.592322|5.269937|0.136184|0.100017|0.097690|0.086702|0.077929|0.112752|0.500000| |4.202284|4.967658|4.098772|3.994882|4.671466|6.136166|6.510922|49.281909|12.058437|8.285544|12.366281|17.635674|8.922474|7.596444|0.143522|4.941390|5.675098|4.109241|0.116797|3.547746|3.325272|5.987699|2.702971|2.494805|2.898010|0.054791|2.045352|2.309267|2.192665|1.895058|1.741450|1.792667|2.585464|5.322690|5.748809|7.146441|0.129661|0.103866|0.098713|0.095903|0.093073|0.173932|0.304088|0.500000| |2.867253|3.070825|2.671242|2.628928|2.964187|3.551458|3.648498|30.993454|8.578476|6.179494|7.610999|8.843810|17.615600|12.376737|0.223499|5.606264|4.976233|7.116565|0.238859|5.092242|5.083749|8.427012|3.913421|3.608573|3.936024|0.073029|2.689685|3.086509|2.778918|2.320924|2.138679|2.260096|3.842537|3.710913|4.208029|5.173391|0.088531|0.075060|0.070352|0.066313|0.064957|0.106798|0.216890|0.211361|0.500000| |3.158960|3.446464|2.897615|2.849171|3.314603|4.242172|4.385910|42.615610|14.025639|8.020511|9.220893|8.811773|17.674285|12.358469|0.180432|6.899404|5.724718|6.936212|0.197969|6.164555|4.548316|7.432767|3.563101|3.316449|3.662278|0.068416|2.505875|2.850244|2.587629|2.182232|2.016944|2.125548|3.555289|4.078534|4.507899|5.782031|0.095463|0.085159|0.075241|0.070465|0.069017|0.134420|0.173305|0.215837|0.299677|0.500000| |3.105654|2.911145|2.414975|2.216224|2.348853|2.791739|3.214915|31.324241|7.424027|7.934874|7.616765|4.949692|5.613471|12.372078|0.230386|17.669177|8.819117|7.019039|0.142212|6.357146|6.530547|13.201123|4.569189|3.615452|4.127050|0.073489|3.109779|3.909231|3.869753|3.076575|2.636521|2.638130|3.256955|2.831519|3.302674|3.774710|0.099064|0.088024|0.075166|0.062093|0.054857|0.079055|0.129218|0.108767|0.126845|0.142105|0.500000| |3.391122|3.342203|2.711694|2.522231|2.765097|3.442564|3.959245|43.964508|11.383437|10.639439|9.430120|5.823776|6.951914|12.307767|0.182673|17.670643|8.840483|6.772345|0.147063|7.309778|5.016411|8.739456|3.796988|3.287746|3.723548|0.068125|2.674902|3.159569|2.990025|2.483712|2.226700|2.285305|3.204474|3.308932|3.772394|4.483270|0.104628|0.097448|0.079595|0.067813|0.061394|0.100703|0.133556|0.130469|0.142054|0.205275|0.299371|0.500000| |5.107618|4.354213|3.314882|2.859835|2.953475|3.601433|4.653501|49.150149|9.101934|14.556864|12.410418|5.688880|4.924228|7.608201|0.147259|8.916405|17.683212|4.079958|0.097307|3.859413|3.661910|7.233184|2.899864|2.496919|2.973296|0.054976|2.218054|2.610110|2.641299|2.258350|1.988678|1.969934|2.377443|3.362315|3.891095|4.336443|0.175002|0.149714|0.114373|0.084449|0.068757|0.096201|0.144646|0.126957|0.108920|0.127769|0.211629|0.213946|0.500000| |4.436865|3.937423|3.133547|2.746684|2.825397|3.357524|4.143820|38.202556|7.735585|9.098040|12.566145|7.136243|5.836035|9.449740|0.215133|8.823170|17.559909|4.605850|0.110871|3.863411|4.311135|9.176937|3.262559|2.734673|3.221204|0.058952|2.419223|2.911989|2.962990|2.479994|2.152335|2.126289|2.566252|3.264969|3.803837|4.218504|0.159890|0.117287|0.104804|0.080594|0.066821|0.089900|0.213187|0.144625|0.132192|0.133442|0.213444|0.173331|0.302684|0.500000| |2.383109|2.359791|2.032142|1.942035|2.112547|2.489429|2.679764|25.076552|6.852483|6.162698|5.202144|3.751739|4.828073|8.972745|0.148537|6.999351|4.505831|8.740360|0.173149|17.614059|6.825043|9.886958|5.568922|4.799596|5.200746|0.092423|3.643674|4.335953|3.800768|3.068044|2.791803|2.967901|4.481206|2.648663|3.088501|3.637317|0.071780|0.067982|0.058751|0.051997|0.048710|0.073735|0.094278|0.090201|0.117389|0.141252|0.209688|0.220942|0.115420|0.110249|0.500000| |2.079468|2.111685|1.862677|1.819658|1.999857|2.321953|2.406629|21.351779|6.061214|5.029640|4.381273|3.397239|4.553894|7.514470|0.128887|4.822438|3.501265|8.902117|0.217539|17.660933|6.649631|8.608124|6.360686|6.532376|6.456944|0.115843|4.060742|4.514632|3.627028|2.976453|2.837925|3.185349|6.978870|2.571381|3.006862|3.588478|0.061926|0.058356|0.051943|0.047642|0.046085|0.069966|0.086268|0.084835|0.121001|0.135854|0.133951|0.144093|0.088146|0.089074|0.304071|0.500000| |2.471765|2.554708|2.203544|2.151898|2.413877|2.907586|3.027302|28.634764|8.736611|6.534087|5.671300|4.327399|6.117913|9.417972|0.143360|6.325599|4.380860|8.767977|0.209912|17.583264|5.420904|7.890540|4.493763|4.290958|4.588583|0.084700|3.056774|3.451883|3.000712|2.503647|2.342077|2.525898|4.619165|3.058723|3.504294|4.305010|0.073415|0.069694|0.060387|0.055367|0.053603|0.089606|0.102762|0.107343|0.146549|0.209428|0.154656|0.218754|0.108618|0.104333|0.300038|0.303118|0.500000| |1.946296|1.841786|1.642180|1.544617|1.600702|1.780905|1.932891|16.091505|3.949245|4.005705|3.623967|2.693695|2.992659|5.240558|0.119525|3.730244|3.200340|4.216558|0.101653|3.677273|6.231701|13.554975|6.398959|4.503087|5.910360|0.099105|5.636236|8.842627|17.780496|8.935718|5.610351|4.885005|3.386602|2.014160|2.429968|2.680854|0.060072|0.053919|0.050380|0.043669|0.039711|0.050203|0.077777|0.065314|0.081462|0.075854|0.124874|0.090752|0.083032|0.095258|0.109450|0.098539|0.085389|0.500000| |1.580920|1.499449|1.364115|1.291995|1.328153|1.449888|1.552577|12.525735|3.085970|3.150863|2.708198|2.001879|2.166811|3.513578|0.077071|2.542219|2.289281|2.800758|0.071397|2.613655|3.589337|6.880136|4.024727|3.392659|5.021566|0.089852|5.012837|5.666926|8.978264|17.727817|8.897181|5.638798|2.677038|1.692039|2.066871|2.246356|0.047831|0.043981|0.041642|0.036670|0.033636|0.040763|0.057497|0.050192|0.059721|0.056454|0.080695|0.064933|0.061278|0.067081|0.076966|0.072900|0.063366|0.215912|0.500000| |1.357703|1.310975|1.206322|1.158625|1.198935|1.300381|1.367552|10.910553|2.745723|2.718522|2.302840|1.727450|1.895113|2.972788|0.063474|2.103951|1.883907|2.448074|0.064593|2.353597|2.998979|5.301009|3.613056|3.412936|5.629421|0.106785|5.705408|4.948462|5.626452|8.881378|17.730919|8.976495|2.729327|1.549686|1.899456|2.073009|0.040495|0.037768|0.035835|0.032359|0.030347|0.036890|0.048988|0.044149|0.053074|0.050329|0.064540|0.055323|0.050323|0.054004|0.067625|0.068424|0.057690|0.123964|0.215797|0.500000| |1.345947|1.322335|1.218425|1.183619|1.240124|1.349957|1.400647|11.212281|2.888684|2.750355|2.346204|1.794273|2.026084|3.142336|0.065758|2.153615|1.884762|2.717064|0.073707|2.649643|3.272648|5.371337|4.296880|4.626925|9.139966|0.189428|8.830071|5.571335|4.880432|5.604192|8.891698|17.721451|3.633381|1.618254|1.975395|2.188931|0.039949|0.037363|0.035293|0.032413|0.030976|0.038781|0.050248|0.046189|0.057636|0.054477|0.064696|0.057534|0.049686|0.053127|0.073777|0.080698|0.064508|0.106373|0.123811|0.214509|0.500000| 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