Version2.1 2021-01-19T07:48:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CN(CCO4)C C39696772 RHF 6-31G(d) (6D,7F) CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CN(CCO4)C C01[X(C23H36N5O3S1)] 198 C1 556 CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCN(C1)C CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCN(C1)C CCSc1ncccc1C(=O)N2C[C@H](C(=O)NC[C@@H]3CN(C)CCO3)C4(CC[NH2+]CC4)C2 InChIKey=QFALRFFEZCNFPI-IEBWSBKVSA-O InChI=1S/C23H35N5O3S/c1-3-32-21-18(5-4-8-25-21)22(30)28-15-19(23(16-28)6-9-24-10-7-23)20(29)26-13-17-14-27(2)11-12-31-17/h4-5,8,17,19,24H,3,6-7,9-16H2,1-2H3,(H,26,29)/p+1/t17-,19-/m1/s1 InChI=1/C23H35N5O3S/c1-3-32-21-18(5-4-8-25-21)22(30)28-15-19(23(16-28)6-9-24-10-7-23)20(29)26-13-17-14-27(2)11-12-31-17/h4-5,8,17,19,24H,3,6-7,9-16H2,1-2H3,(H,26,29)/p+1/t17-,19-/m1/s1/fC23H36N5O3S/h24,26H/q+1 CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CN(CCO4)C C01[X(C23H36N5O3S1)] 198 C01 556 CCSc1ncccc1C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NC[C@H]1OCCN(C1)C CCS[C]1[N][CH][CH][CH][C]1C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C@H]1OCCN(C1)C)=O CCS[C]1[N][CH][CH][CH][C]1C(=O)N2C[C@H](C(=O)NC[C@@H]3CN(C)CCO3)C4(CC[NH2]CC4)C2 InChIKey=OZBLNDGMTQZXIK-IEBWSBKVSA-N InChI=1S/C23H36N5O3S/c1-3-32-21-18(5-4-8-25-21)22(30)28-15-19(23(16-28)6-9-24-10-7-23)20(29)26-13-17-14-27(2)11-12-31-17/h4-5,8,17,19H,3,6-7,9-16,24H2,1-2H3,(H,26,29)/t17-,19-/m1/s1 InChI=1/C23H36N5O3S/c1-3-32-21-18(5-4-8-25-21)22(30)28-15-19(23(16-28)6-9-24-10-7-23)20(29)26-13-17-14-27(2)11-12-31-17/h4-5,8,17,19H,3,6-7,9-16,24H2,1-2H3,(H,26,29)/t17-,19-/m1/s1/f/h26H 3567.9036715595 -1786.0928074 1-A 21377.0976 124 432 556 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.0150 13.3270 23.4939 27.7844 31.8776 40.2779 46.6158 52.3738 63.4597 87.0384 100.7746 103.6952 121.6304 133.0150 154.3794 163.3671 176.8036 177.7677 189.0310 210.9853 222.1234 248.8384 257.8595 262.1266 264.6771 272.9705 287.0702 311.8874 317.1676 336.9602 338.6915 348.3645 386.6463 394.6373 403.0608 411.4403 436.6200 459.2277 466.7733 477.0007 485.6091 500.2199 518.0162 532.5293 541.4595 563.3468 568.2662 577.1655 631.1299 673.4877 680.7891 686.1857 719.5187 747.6368 754.4032 792.7416 827.2400 834.0037 844.8907 857.1246 858.2587 862.1468 870.6204 879.2098 886.5423 919.6771 920.8425 933.9322 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3212.6185 3213.6987 3223.3431 3231.2958 3249.5593 3253.6286 3260.7624 3261.7382 3265.1334 3267.7963 3273.9676 3275.9676 3280.6252 3287.9955 3290.0234 3293.6128 3294.7650 3326.8807 3328.8279 3331.9772 3336.4372 3340.3486 3351.3055 3370.6675 3378.5630 3385.6455 3411.4070 3667.7774 3732.1381 3885.0520 5.0416 4.5852 5.4493 4.2356 4.2697 4.8994 4.5441 5.1128 5.7594 1.9999 3.8440 3.7861 4.5832 3.3234 4.3353 4.2454 4.4164 3.3026 3.2696 4.2127 2.7326 3.5566 1.3946 1.1237 1.9512 5.2135 3.6776 3.3587 2.0457 4.6608 3.1986 2.9988 2.6351 2.5757 4.6361 2.8193 3.9931 2.4622 5.1284 3.1726 3.4868 2.9887 5.3162 2.5454 4.4258 2.9707 2.2252 3.5582 1.1966 2.7308 2.5842 5.0852 5.9080 3.3018 4.2403 4.8904 6.3341 3.8334 3.8888 1.1448 3.2793 2.5815 2.3405 2.9349 2.7590 2.0438 2.2885 1.5239 2.4670 2.5885 1.8097 2.9944 2.9057 2.0097 2.2368 2.3818 1.8499 1.9443 2.0569 1.4204 2.6102 2.5831 1.4364 1.9124 2.4739 1.9294 1.5152 2.2858 1.9946 2.8608 2.3178 2.2786 3.0102 1.9944 1.8624 1.9705 2.6023 1.7523 1.5858 3.9239 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7.1882 7.2068 7.2923 7.2881 7.3419 7.3133 7.3311 7.3816 7.5332 8.3703 8.9940 9.5933 1.1756 0.1741 3.5126 1.2269 2.6407 5.1543 8.8237 1.0070 4.0511 0.8116 4.4113 6.2988 3.2425 2.3566 5.2359 8.3459 6.4126 1.9089 2.2396 1.4871 0.6992 8.2065 3.2976 0.3412 6.1063 3.4251 1.7117 3.4763 11.0200 14.3653 1.4520 8.9032 3.4908 1.0477 7.2216 7.4587 10.6262 5.2683 3.2651 10.4221 2.3940 1.0519 0.7312 0.4860 5.3729 2.0234 8.1065 11.2453 84.1260 15.6927 20.3318 5.6018 4.1787 3.5140 3.1832 31.7024 4.9172 5.1716 6.1089 5.9117 7.4609 43.7176 4.0650 1.8440 5.5806 8.6686 24.9622 13.8362 6.4954 16.6738 11.5715 10.9814 6.4640 20.3430 5.9183 1.6847 1.4375 21.6389 34.4107 1.5270 7.7639 8.0431 0.3822 4.1283 0.3678 3.3302 2.6884 4.8739 8.1189 68.6215 8.6213 8.1985 89.9583 6.7759 1.6646 15.5792 17.9985 7.3518 15.5013 163.1597 7.1714 32.2593 94.6745 22.3211 7.9995 32.6539 1.9290 68.1885 9.8992 109.6165 0.3195 86.4324 11.0388 9.5332 41.5023 10.2081 11.8689 49.5742 4.9188 6.1370 28.2226 12.1738 63.5363 148.0149 41.4432 10.3133 11.9285 214.2989 29.3846 4.4480 12.1938 9.7189 9.8464 5.4616 38.3670 128.5313 89.1178 60.6668 2.0631 9.9937 8.3407 7.1915 8.4056 10.5784 3.8606 7.3597 16.2350 6.8243 1.1182 15.6280 6.2906 5.1322 13.2233 4.2496 14.0731 12.9216 564.0090 95.6734 99.6669 96.2217 158.3331 469.0067 29.6806 38.3239 117.2598 12.5009 25.0589 49.7439 30.8880 10.7744 44.5827 55.7525 13.9527 44.3902 57.7734 29.7911 8.1316 9.1954 0.6234 27.9827 12.6142 38.0224 4.0709 36.0229 51.1296 6.9260 3.0945 4.0477 7.0024 10.7107 3.3107 5.6704 3.8973 19.9101 11.9140 68.7876 77.5235 72.8485 0.8335 2.4108 0.6881 0.8663 0.5098 0.2543 0.9623 0.2955 1.6253 0.5934 1.4255 0.2970 1.3568 0.7241 1.6667 1.2262 0.7999 0.4983 0.7569 0.8715 1.0376 0.3039 0.3497 0.0659 0.2120 3.0183 0.9466 3.0334 0.5676 0.6759 1.5051 0.8321 0.2975 0.8582 0.9905 0.3551 3.3458 1.0033 3.0162 0.7002 0.1526 1.3463 3.7582 0.8914 0.9697 2.4857 1.1270 0.4296 1.1123 2.6155 2.3747 3.2711 7.5746 4.1232 19.4475 10.8121 0.9125 3.7360 5.1673 0.2933 2.1683 2.1833 1.6765 5.0933 10.8519 0.3678 2.7511 2.3744 2.8180 3.0393 3.3008 1.2790 4.8574 8.7238 8.7103 0.8507 1.2700 4.9187 3.6460 1.1105 7.4247 1.5177 1.0658 7.5183 2.0402 6.2948 20.3642 18.5656 3.5566 3.0398 4.9039 5.6845 13.2889 1.4912 5.2138 11.7207 8.3924 5.6853 8.3865 5.3401 2.8149 6.1060 11.1618 9.5077 3.6740 10.5219 0.9637 8.1947 6.1277 11.9993 8.4966 3.8022 2.4656 1.1746 5.3628 9.9032 7.6101 2.4903 5.1107 18.2120 12.0485 4.6545 3.2946 2.0153 2.0693 2.4067 1.6573 4.4967 6.0224 1.9079 1.6348 2.7612 3.7288 4.1438 3.0883 4.8601 2.5810 0.5758 2.5093 5.7844 3.1024 6.6429 13.1993 7.4297 5.7881 25.3401 12.1288 9.2296 9.6456 9.4969 0.8947 26.9779 3.5700 11.5258 8.0403 10.1158 4.0300 24.7286 55.0999 5.4394 4.4552 25.4223 17.8033 41.1763 145.6608 28.4243 35.9782 82.1291 115.1447 44.5737 78.8087 51.4240 15.7582 49.6332 159.4410 62.4006 50.2169 91.3062 80.5723 73.9418 104.5042 108.5194 71.9857 90.0475 91.6920 30.1607 41.7585 62.5029 64.2024 41.0118 26.2468 46.0987 65.6377 87.6774 205.2430 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271.97 303.56 319.59 358.02 371.00 377.14 380.81 392.74 413.03 448.74 456.33 484.81 487.30 501.22 556.30 567.80 579.91 591.97 628.20 660.73 671.58 686.30 698.68 719.70 745.31 766.19 779.04 810.53 817.61 830.41 908.06 969.00 979.50 987.27 1035.23 1075.68 1085.42 1140.58 1190.21 1199.95 1215.61 1233.21 1234.84 1240.44 1252.63 1264.99 1275.54 1323.21 1324.89 1343.72 1372.57 1396.54 1423.98 1472.09 1481.83 1510.84 1528.34 1530.56 1538.51 1560.42 1582.60 1596.49 1601.61 1616.26 1620.46 1632.17 1651.10 1670.75 1674.59 1678.78 1680.68 1696.92 1701.92 1708.77 1721.11 1730.40 1742.89 1768.94 1787.76 1791.22 1829.68 1838.72 1845.68 1852.29 1860.71 1881.58 1895.12 1898.81 1912.47 1941.62 1946.70 1978.84 1992.99 1993.67 2005.46 2021.72 2030.21 2060.82 2073.29 2078.39 2082.99 2089.02 2093.93 2104.93 2116.96 2135.82 2159.96 2173.58 2197.93 2216.91 2222.90 2224.03 2231.10 2237.41 2252.67 2253.46 2259.88 2268.49 2274.26 2277.62 2295.74 2326.71 2327.09 2331.55 2343.42 2353.20 2357.24 2358.91 2359.71 2364.78 2368.66 2373.36 2380.28 2381.24 2385.12 2390.19 2409.44 2419.78 2474.61 2535.12 2578.50 2628.34 2771.23 2774.17 4482.59 4501.57 4525.76 4599.92 4614.50 4620.73 4622.24 4623.80 4637.67 4649.11 4675.39 4681.25 4691.51 4692.91 4697.80 4701.63 4710.51 4713.39 4720.09 4730.69 4733.61 4738.77 4740.43 4786.64 4789.44 4793.97 4800.39 4806.02 4821.78 4849.64 4861.00 4871.19 4908.25 5277.11 5369.71 5589.72 0.638672 0.668234 0.669178 0.573001 -1785.454136 -1785.424573 -1785.423629 -1785.519806 3.225792D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE CCSc1c(cccn1)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)NC[C@@H]4CN(CCO4)C C39696772 RHF 6-31G(d) (6D,10F) C1 462.253887 |X|Y|Z| 123.607378 63.995160 44.753058 70.741036 26 6 7 8 20 5 1 |36.858105| |12.480946|36.858105| |6.982998|10.458951|388.023441| |4.577976|6.814999|76.220026|36.858105| |3.533281|4.617429|48.861959|13.561027|36.858105| |2.916439|3.703345|33.518274|7.973452|13.764904|36.858105| |2.858056|3.686855|30.044243|6.972246|7.950528|13.768853|36.858105| |3.365022|4.606620|34.748319|8.361968|7.037824|8.074579|13.811444|36.858105| |4.361720|6.688433|51.065641|14.488547|8.014182|6.932450|7.999709|14.398814|53.358707| |3.287824|3.958211|43.469032|7.512175|12.738681|7.633273|5.057614|4.534248|6.920344|36.858105| |3.364669|3.898684|44.074977|6.305801|8.071665|5.518513|4.107472|3.873803|6.054673|15.862091|73.516695| |2.823313|3.273881|32.179505|5.278756|7.805207|6.365140|4.400014|3.813536|5.489569|13.870835|15.054012|53.358707| |2.746695|3.188650|29.086072|4.826435|6.454577|5.869333|4.369138|3.802671|5.343671|7.615388|9.562517|17.629280|36.858105| |2.483751|2.743601|24.081450|3.613961|4.358080|3.987838|3.226599|2.924807|4.147095|5.297269|7.759351|10.895475|12.324147|36.858105| |2.186118|2.401468|20.632417|3.144193|3.807009|3.673903|3.011066|2.679086|3.702509|4.528519|6.806447|9.073446|8.855665|17.546031|0.500000| |2.583751|2.782491|25.361893|3.549152|4.202836|3.628137|2.926462|2.714019|3.963250|5.680467|9.149091|11.035946|7.806015|12.255112|0.248101|36.858105| |2.550665|2.816077|26.709542|3.935253|5.046589|4.336242|3.311316|2.971909|4.290031|7.877187|12.562769|17.894043|7.996430|8.150435|0.202123|12.375657|36.858105| |3.104402|3.258402|30.302319|3.838015|4.218120|3.438709|2.848037|2.762311|4.209972|5.522208|9.478108|8.688156|6.122939|7.380432|0.152300|12.330302|7.480326|36.858105| |3.033081|3.052449|28.226975|3.386695|3.611482|2.964868|2.502424|2.457172|3.762884|4.709485|9.174923|6.698486|4.316670|4.839438|0.113214|7.474209|6.094790|12.528873|36.858105| |2.470108|2.462495|21.470796|2.699012|2.899017|2.503224|2.149701|2.088727|3.112854|3.631310|6.891563|5.400370|3.623447|4.334785|0.108281|6.477722|5.141729|7.709458|12.596564|53.358707| |2.373142|2.331449|20.075863|2.498146|2.648019|2.300384|1.997426|1.952346|2.909281|3.262450|6.362079|4.682245|3.101632|3.554155|0.090894|4.930499|4.318702|5.684540|9.141356|25.689382|0.500000| |2.419168|2.384308|20.171161|2.533783|2.679783|2.338825|2.038072|1.993918|2.965713|3.240298|5.978436|4.832381|3.415095|4.178732|0.104128|5.777807|4.365661|7.068698|9.203850|25.677209|0.328322|0.500000| |2.178794|2.229165|19.393891|2.575536|2.869384|2.551049|2.166488|2.054298|2.991122|3.638189|6.707198|5.768466|3.846672|4.840108|0.128953|7.486349|6.037822|6.504763|7.556251|17.229060|0.255012|0.255777|36.858105| |2.209337|2.311696|20.096718|2.768650|3.160906|2.846253|2.387705|2.230106|3.212103|3.997665|6.857449|6.941481|4.987497|7.399592|0.199240|12.407354|7.428229|7.618943|6.469034|10.426772|0.157375|0.194369|12.478870|36.858105| |2.475575|2.686543|22.279650|3.244170|3.633597|3.358847|2.887916|2.711454|3.862472|4.038072|6.154359|7.018287|7.460193|12.486267|0.246707|7.293991|5.058589|6.280917|4.239706|5.305388|0.089772|0.111750|4.071701|5.764351|36.858105| |2.810850|3.034945|24.682410|3.475028|3.707047|3.324775|2.918423|2.834965|4.143797|3.982480|6.133412|6.401167|6.434915|8.006410|0.163445|6.062814|4.423929|6.445971|4.319335|5.160627|0.088247|0.110600|3.685049|4.760921|15.801844|73.516695| |2.122976|2.272675|18.270072|2.670211|2.960020|2.841568|2.510331|2.347930|3.275844|3.222705|5.046416|5.441737|5.298018|7.855228|0.213951|5.407954|4.067871|4.582599|3.457102|4.622665|0.080064|0.099062|3.667540|5.094041|14.221676|15.082052|53.358707| |2.002263|2.111212|16.343952|2.355008|2.523037|2.437238|2.225638|2.124346|2.961268|2.661178|4.252176|4.250099|3.924047|4.997201|0.134996|3.944109|3.133443|3.664043|2.923518|3.950188|0.070170|0.086578|3.021739|3.851813|7.737224|11.994553|17.857707|36.858105| |1.774374|1.882068|14.385816|2.118060|2.276466|2.266948|2.106300|1.991106|2.716143|2.354646|3.763743|3.723416|3.377983|4.019586|0.115640|3.203624|2.712123|2.917421|2.417456|3.283223|0.059609|0.070591|2.554179|3.161027|5.286487|8.243560|10.667482|12.536715|36.858105| |1.810348|1.947486|14.838643|2.232735|2.410337|2.442797|2.287758|2.145944|2.889587|2.444748|3.852204|3.863418|3.586489|4.064904|0.116891|3.140391|2.730364|2.848656|2.345380|3.120428|0.056835|0.066112|2.422629|2.987494|5.208454|8.192962|9.586578|8.887257|17.504237|0.500000| |1.643142|1.720132|12.852734|1.867878|1.966285|1.955093|1.851099|1.777371|2.428765|2.010974|3.266376|3.086778|2.700061|3.088316|0.087150|2.608509|2.250510|2.464635|2.107904|2.879572|0.053140|0.062382|2.197154|2.605481|3.883964|6.534326|6.830036|7.523118|12.512666|0.247720|36.858105| |1.484935|1.559533|11.609811|1.705556|1.800314|1.818648|1.738620|1.659476|2.239450|1.827682|2.976989|2.787434|2.398275|2.670267|0.076967|2.279168|2.026701|2.130847|1.854888|2.539590|0.047387|0.054344|1.956137|2.284831|3.164688|5.276114|5.344380|5.026426|7.849921|0.197059|13.154864|53.358707| |1.406145|1.476200|11.127628|1.636687|1.747414|1.770569|1.677302|1.585329|2.134727|1.797184|2.940874|2.765564|2.346838|2.651764|0.078648|2.285475|2.045649|2.090640|1.837152|2.554869|0.047769|0.054428|2.007195|2.347594|3.035780|4.906803|5.198186|4.545906|6.767116|0.164666|7.985270|17.882464|36.858105| |1.488904|1.578068|12.102473|1.800521|1.957563|1.994918|1.862646|1.734177|2.326198|2.033030|3.292875|3.200459|2.757674|3.181322|0.097831|2.659493|2.376740|2.351656|2.035223|2.828859|0.052378|0.059737|2.271031|2.733408|3.593566|5.540545|6.434530|5.224632|8.107780|0.202007|6.774759|10.699750|12.552780|36.858105| |1.645679|1.742601|13.504418|1.992136|2.173413|2.177848|2.003008|1.869864|2.538865|2.289316|3.688193|3.667580|3.237639|3.946889|0.121051|3.209911|2.750519|2.810411|2.372578|3.304068|0.060163|0.070498|2.657911|3.314376|4.737020|7.018224|9.586707|8.120881|13.537673|0.259369|7.912943|9.260605|7.913204|13.525826|73.516695| |1.386790|1.444045|10.602000|1.544336|1.609501|1.621621|1.566922|1.511734|2.044200|1.624358|2.671833|2.435034|2.055022|2.248547|0.063960|1.971818|1.770365|1.879875|1.665031|2.281618|0.043009|0.048922|1.735796|1.980556|2.620789|4.495181|4.221577|3.858763|5.096355|0.132169|7.915644|17.916643|7.902827|5.099565|8.103256|36.858105| |17.568274|8.879218|36.646062|3.858703|3.053076|2.615960|2.627578|3.110632|5.291598|2.812635|5.054383|3.362334|2.442606|2.228187|0.055121|2.282863|2.244509|2.682531|2.611883|2.980339|0.058678|0.060122|1.952546|1.985150|2.251629|4.530412|2.672914|1.880543|1.683493|0.047780|1.577042|1.948806|1.349989|1.417932|2.766849|1.347632|0.500000| |17.560405|8.763086|46.050134|4.264290|3.437290|2.824270|2.711595|3.099893|5.329382|3.312978|6.000284|3.967694|2.875218|2.658626|0.064244|2.789882|2.673372|3.470842|3.378660|3.702081|0.072067|0.074925|2.350183|2.384846|2.697327|5.560870|3.121437|2.170161|1.893010|0.053247|1.752308|2.132951|1.479749|1.565125|3.103920|1.461208|0.301684|0.500000| |17.565334|8.768717|46.324991|4.236412|3.358690|2.772374|2.689505|3.110673|5.387004|3.208817|6.060340|3.708806|2.578741|2.349488|0.057958|2.496828|2.504716|2.985867|3.032978|3.369397|0.067118|0.066618|2.172286|2.159241|2.300642|4.553578|2.705296|1.864552|1.659438|0.046824|1.537036|1.900481|1.332757|1.412936|2.767093|1.305441|0.301786|0.300728|0.500000| |8.798683|17.632289|56.411062|6.535972|4.551920|3.770451|3.842094|4.875747|9.393900|3.804743|6.369726|4.440810|3.325550|2.843759|0.068840|2.791190|2.770893|3.235139|2.923193|3.250867|0.062129|0.065010|2.183735|2.310699|2.855440|5.843950|3.279896|2.258708|2.013310|0.058326|1.841223|2.263191|1.558651|1.662704|3.269262|1.538111|0.211877|0.210277|0.172402|0.500000| |8.806611|17.657782|56.567353|6.410471|4.361368|3.642318|3.774699|4.912050|9.695748|3.639187|6.420295|4.078742|2.885524|2.472205|0.061213|2.494635|2.579886|2.828180|2.686341|3.014789|0.058795|0.059300|2.036276|2.101498|2.395614|4.704820|2.805962|1.920028|1.738975|0.050178|1.596513|1.991480|1.389725|1.483477|2.882205|1.359950|0.212728|0.172452|0.209934|0.302781|0.500000| |2.546592|3.101743|27.628912|5.652764|8.935383|17.718565|8.907550|5.695529|6.782297|7.078465|9.232628|9.280444|6.169590|4.204294|0.112063|3.760643|4.673937|3.372884|2.909257|3.421472|0.064021|0.064941|2.636913|2.980053|3.410216|5.770848|3.995873|2.478036|2.332405|0.069943|1.990196|2.538365|1.837633|2.098837|4.055063|1.650579|0.063957|0.069428|0.067935|0.087434|0.084361|0.500000| |2.480877|3.089384|24.275831|5.007409|5.637338|8.858837|17.754517|8.901100|7.753012|4.103092|6.113118|5.141402|3.824689|2.932005|0.078026|2.634128|2.958730|2.520197|2.232629|2.667719|0.050796|0.051848|1.997392|2.202544|2.651243|4.695933|3.218913|2.116462|2.043698|0.062088|1.804848|2.337720|1.661928|1.844785|3.476098|1.550652|0.064443|0.065700|0.065228|0.089679|0.088403|0.212493|0.500000| |3.143721|4.179432|28.920456|5.907033|5.038541|5.690716|8.908043|17.720538|12.743433|3.611363|5.679337|4.284155|3.185743|2.549693|0.065663|2.367811|2.548566|2.414706|2.174722|2.556136|0.049081|0.050170|1.844848|1.990476|2.416871|4.502944|2.904810|1.966673|1.865050|0.055907|1.687489|2.160767|1.510803|1.636753|3.106480|1.458694|0.083299|0.079737|0.080628|0.124549|0.128005|0.124335|0.213203|0.500000| |3.127971|3.721143|33.770185|5.659210|7.033061|6.002571|4.668928|4.264941|6.200495|7.215328|9.193319|12.263460|17.654302|8.754850|0.176017|6.365780|6.039901|6.044879|4.220907|4.680033|0.082407|0.091767|3.458928|4.288367|7.290504|13.217899|6.823387|3.931163|3.331451|0.098981|2.713793|3.246009|2.281655|2.620034|5.455762|2.063234|0.076781|0.091599|0.079629|0.111003|0.091329|0.157657|0.110107|0.098209|0.500000| |2.474816|2.884431|25.182357|4.370274|5.851059|6.198159|4.682549|3.860577|5.120285|6.131343|7.999553|12.213899|17.607595|8.744871|0.226937|5.737335|6.181783|4.569428|3.490577|4.166818|0.074445|0.080844|3.308924|4.200193|6.218972|9.377105|6.783892|3.778414|3.435670|0.104695|2.726881|3.365661|2.430635|2.897600|5.913977|2.103191|0.062188|0.070873|0.064637|0.084244|0.074224|0.197018|0.118185|0.090661|0.301802|0.500000| |2.235618|2.456839|22.353991|3.375896|4.295487|3.988183|3.103525|2.731316|3.825586|5.988112|9.659985|12.423184|6.729082|7.197836|0.215083|8.812204|17.523525|5.478971|4.745696|6.039505|0.106637|0.106960|5.637114|7.043751|4.594668|6.892673|5.386850|3.043888|2.711286|0.075874|2.238529|2.782616|2.098332|2.474164|5.033466|1.776887|0.055508|0.064538|0.061120|0.067557|0.063566|0.125337|0.079225|0.065946|0.139325|0.164977|0.500000| |2.613149|2.846869|27.565441|3.880962|4.813694|4.018064|3.121905|2.859360|4.197661|7.717717|15.169274|12.499868|5.791105|5.706304|0.144190|8.538942|17.712383|6.868186|6.766606|7.511575|0.133857|0.123533|6.197311|6.312845|4.072937|6.670538|4.594810|2.719579|2.374045|0.066034|2.018301|2.489513|1.844949|2.107261|4.272012|1.619745|0.063380|0.075678|0.072741|0.075937|0.072819|0.117209|0.077238|0.068393|0.135461|0.131505|0.302520|0.500000| |3.662304|3.968258|39.429543|4.829816|5.208339|3.985897|3.261970|3.215825|5.063154|6.802547|11.238062|9.718787|6.777956|6.740503|0.137935|8.694567|6.911016|17.636223|9.024833|7.641137|0.127170|0.144647|4.863153|5.505345|5.839621|11.520044|5.706133|3.433858|2.786380|0.077307|2.371759|2.808250|2.000060|2.235720|4.682014|1.829366|0.085768|0.114095|0.096249|0.109333|0.093200|0.104644|0.078202|0.076711|0.206083|0.136109|0.139373|0.179283|0.500000| |3.020609|3.100725|27.017048|3.413554|3.620958|3.050955|2.610179|2.563384|3.882090|4.361387|7.383582|6.753861|5.289768|6.746383|0.141815|8.783420|5.479830|17.591293|8.905905|9.455795|0.144712|0.207634|5.725234|6.861637|7.049825|14.038785|6.970769|4.204898|3.195377|0.084997|2.709386|3.116835|2.222405|2.474718|5.355670|2.019423|0.073647|0.095804|0.079444|0.087361|0.074369|0.082812|0.064905|0.063240|0.151863|0.114770|0.123013|0.138560|0.307360|0.500000| |3.013233|3.077905|29.541821|3.561776|3.866194|3.133175|2.607242|2.542721|3.897412|5.296096|11.330830|7.154177|4.229280|4.447631|0.107169|6.679203|6.664332|8.722667|17.650176|12.349097|0.223503|0.180802|6.860163|5.675431|3.721095|6.608050|4.197660|2.608825|2.216729|0.060445|1.937498|2.355356|1.722794|1.913330|3.903109|1.557296|0.071678|0.090631|0.085499|0.080234|0.076452|0.085696|0.064354|0.062097|0.112552|0.096274|0.141848|0.239618|0.212415|0.172975|0.500000| |3.343693|3.226861|29.021587|3.289148|3.342627|2.741036|2.370622|2.382558|3.703291|4.113563|8.057806|5.555927|3.711685|4.018851|0.094935|5.453147|4.628779|8.793813|17.631019|12.356962|0.222058|0.225769|5.569239|4.880976|3.760751|7.142136|4.240848|2.736649|2.268567|0.061107|2.016374|2.412248|1.739166|1.897154|3.903994|1.608498|0.079333|0.106363|0.093542|0.084930|0.077846|0.073360|0.058717|0.059122|0.105146|0.085250|0.104650|0.140366|0.214099|0.216243|0.301634|0.500000| |2.160224|2.227754|19.691231|2.637743|2.980161|2.648408|2.227252|2.096458|3.044892|3.872317|7.385722|6.038752|3.778297|4.451897|0.120672|6.703289|6.604661|5.707858|6.900587|12.444017|0.225239|0.181280|17.629454|8.746357|3.605092|5.835698|4.403418|2.679947|2.323429|0.062192|2.007813|2.468754|1.864185|2.110394|4.305261|1.616073|0.053616|0.063828|0.060475|0.059971|0.057080|0.076684|0.057011|0.052100|0.093162|0.091266|0.175649|0.209355|0.127208|0.132425|0.205247|0.142420|0.500000| |1.966011|1.992349|16.864284|2.248180|2.471429|2.240695|1.937629|1.842930|2.661617|3.021359|5.544221|4.701019|3.232477|4.016648|0.110862|5.456610|4.590088|4.898401|5.560601|12.365873|0.222838|0.224732|17.623771|8.752206|3.565118|5.754290|4.594080|2.869390|2.461157|0.064058|2.148157|2.618365|1.994922|2.240020|4.624389|1.716798|0.049513|0.058767|0.054530|0.054388|0.050922|0.064442|0.050161|0.046468|0.081765|0.079678|0.125607|0.129476|0.107552|0.128980|0.141758|0.126445|0.301385|0.500000| |2.151852|2.226745|18.802632|2.569362|2.859761|2.598916|2.229244|2.106003|3.031488|3.453129|5.869377|5.794213|4.481191|6.777834|0.180444|8.794680|5.453657|6.827180|5.652682|9.330390|0.143445|0.203400|8.875556|17.521260|6.330412|9.246503|8.081023|4.524920|3.552497|0.090327|2.916538|3.403056|2.563586|2.969255|6.605932|2.156183|0.054168|0.065160|0.057922|0.062518|0.055998|0.074713|0.057433|0.052724|0.111857|0.106863|0.144037|0.131778|0.139696|0.201397|0.131091|0.127668|0.172992|0.215422|0.500000| |2.004090|2.114004|18.165818|2.577878|2.985948|2.778224|2.334450|2.145855|3.032729|3.713635|6.300048|6.543238|4.709609|6.745477|0.214381|8.761392|6.902274|5.508367|4.860022|7.613653|0.127056|0.143132|8.993312|17.561075|5.130515|7.319888|6.650798|3.686791|3.164187|0.083427|2.587524|3.147563|2.427277|2.885703|6.142100|1.990698|0.050460|0.059284|0.054518|0.058830|0.054108|0.082791|0.060653|0.053418|0.109061|0.116561|0.215777|0.159943|0.122558|0.139769|0.127360|0.107445|0.214219|0.212168|0.303909|0.500000| |1.960279|2.102473|16.996675|2.515878|2.835852|2.775152|2.440410|2.246947|3.094801|3.116351|4.899073|5.347972|5.044677|7.459083|0.244771|5.224269|4.104579|4.148317|3.247885|4.451061|0.077784|0.093740|3.695390|5.211949|9.370777|10.832959|26.059522|9.134355|7.451836|0.187551|4.747649|5.352712|4.049911|5.389771|14.687032|3.064044|0.050456|0.058200|0.051470|0.061339|0.053586|0.081474|0.064602|0.056813|0.125313|0.137956|0.116470|0.093860|0.104577|0.122660|0.082233|0.080272|0.091588|0.095749|0.164030|0.149835|0.500000| |1.921679|1.991528|15.376699|2.168245|2.303236|2.202911|2.013761|1.936795|2.720725|2.460262|4.014593|3.878941|3.421141|4.382161|0.118925|3.745904|2.948008|3.552614|2.922280|4.077929|0.072630|0.091579|3.101495|3.872439|6.240364|10.097687|12.423983|17.557109|8.891653|0.174170|6.981138|6.413374|4.408334|4.815353|12.808192|3.777142|0.050213|0.058168|0.050052|0.058593|0.050326|0.062109|0.053166|0.049988|0.094608|0.090092|0.079623|0.072380|0.090230|0.115527|0.071633|0.076561|0.075079|0.083669|0.131790|0.101982|0.204181|0.500000| |2.160634|2.278601|17.341141|2.483412|2.608183|2.498613|2.307843|2.237581|3.143670|2.696230|4.293543|4.208580|3.916063|4.699425|0.120241|3.754664|3.014532|3.682412|2.916375|3.827781|0.068305|0.083984|2.831985|3.510248|7.453396|13.857194|12.560681|17.645901|8.839467|0.215222|6.729352|6.224360|3.917152|4.254638|10.281504|3.695817|0.056559|0.065510|0.055199|0.068712|0.057093|0.069269|0.060555|0.057696|0.114637|0.103499|0.079544|0.073433|0.098882|0.119330|0.072039|0.077313|0.070349|0.073907|0.111840|0.091202|0.181514|0.301408|0.500000| |1.606913|1.662727|12.439168|1.779822|1.866354|1.835643|1.730237|1.669796|2.301405|1.930812|3.172623|2.952788|2.534553|2.947604|0.082866|2.568355|2.192211|2.450415|2.123526|2.949989|0.054559|0.064705|2.242638|2.631603|3.682035|6.236060|6.419793|7.018368|8.863494|0.174123|17.395341|12.258860|7.067836|5.858246|12.473080|7.004334|0.042823|0.047841|0.041936|0.049097|0.042786|0.051818|0.046653|0.044001|0.070522|0.069913|0.060463|0.055059|0.064624|0.075644|0.053839|0.056659|0.056382|0.061680|0.083304|0.072183|0.124043|0.215458|0.170436|0.500000| |1.710082|1.788930|13.171441|1.909666|1.983981|1.967427|1.882133|1.827082|2.503077|2.001905|3.247217|3.031639|2.659740|2.965576|0.081589|2.512644|2.176555|2.431534|2.075965|2.793116|0.051670|0.060535|2.093349|2.455841|3.770407|6.652740|6.244327|6.769899|8.888383|0.217628|17.561116|12.509006|5.735434|5.041245|10.157777|7.287149|0.045841|0.050752|0.044110|0.053682|0.046016|0.054994|0.050860|0.048424|0.075990|0.074277|0.059386|0.054506|0.065986|0.074630|0.052953|0.055755|0.053336|0.056426|0.075730|0.066778|0.115766|0.169710|0.197195|0.300540|0.500000| |1.371499|1.427620|10.771021|1.565315|1.665478|1.671422|1.577478|1.498431|2.032659|1.728447|2.854739|2.651749|2.219347|2.540335|0.075026|2.241341|1.990487|2.062862|1.832624|2.584559|0.048466|0.055482|2.029988|2.351513|2.901364|4.712304|4.946079|4.340777|5.851155|0.134924|7.066089|12.252977|17.409670|8.880088|12.469507|6.996460|0.036565|0.040226|0.036233|0.041665|0.037278|0.048070|0.043212|0.039633|0.059879|0.062911|0.056644|0.050210|0.054290|0.061274|0.047537|0.048306|0.052023|0.056732|0.072175|0.067399|0.106623|0.124689|0.103153|0.208036|0.143453|0.500000| |1.317295|1.384396|10.389602|1.535355|1.637028|1.672337|1.596551|1.507073|2.016274|1.672872|2.745029|2.553129|2.141063|2.368091|0.070348|2.061412|1.880183|1.889256|1.677700|2.327547|0.043849|0.049245|1.828146|2.108940|2.640845|4.305572|4.360849|3.651689|5.038542|0.132777|5.735223|12.492227|17.568311|8.914714|10.163042|7.264430|0.035249|0.038287|0.034766|0.040532|0.036426|0.048311|0.044281|0.040115|0.057791|0.062116|0.053819|0.047413|0.050532|0.055206|0.044075|0.044213|0.047648|0.050537|0.063004|0.060875|0.094573|0.097997|0.090392|0.143455|0.128082|0.300741|0.500000| |1.419676|1.500738|11.583907|1.719418|1.879284|1.915774|1.779513|1.650040|2.213208|1.971920|3.219015|3.109401|2.619878|3.035930|0.095236|2.599500|2.349470|2.270276|1.993494|2.809269|0.052269|0.059032|2.291583|2.737444|3.292395|5.042813|5.738421|4.378490|5.855227|0.147499|5.052204|7.697752|8.829901|17.614136|16.879255|4.183697|0.037493|0.041356|0.037666|0.043580|0.039319|0.056415|0.049045|0.043212|0.068140|0.076340|0.068994|0.058132|0.059459|0.065674|0.052372|0.051355|0.059399|0.063510|0.081987|0.082014|0.137784|0.116870|0.100059|0.131736|0.110503|0.217062|0.209828|0.500000| |1.501594|1.606928|12.303597|1.859914|2.031541|2.103344|1.976486|1.824963|2.419950|2.081868|3.339914|3.275447|2.851669|3.185510|0.098251|2.611875|2.382245|2.302699|1.983199|2.713550|0.050320|0.056728|2.172370|2.611769|3.535774|5.469609|6.108171|4.756433|7.207148|0.216546|5.879376|9.564357|8.878895|17.526607|16.534734|4.728797|0.039766|0.043590|0.039496|0.047214|0.042133|0.061788|0.054861|0.047938|0.075257|0.085395|0.069063|0.058448|0.061692|0.066522|0.052229|0.051329|0.056757|0.058838|0.077139|0.076660|0.140916|0.116163|0.112552|0.134208|0.131743|0.173884|0.217612|0.299976|0.500000| |1.428669|1.486860|10.800757|1.571349|1.623168|1.632910|1.589739|1.545751|2.092771|1.623391|2.666979|2.413747|2.042901|2.205794|0.061832|1.933714|1.737619|1.868804|1.651931|2.241127|0.042274|0.048078|1.685870|1.915985|2.592331|4.545131|4.083280|3.754359|4.740836|0.127501|7.213026|12.464925|5.698533|4.234009|7.111817|17.580746|0.038740|0.041836|0.037175|0.044260|0.038865|0.045807|0.043645|0.041606|0.057743|0.057918|0.048034|0.044267|0.050972|0.055938|0.042879|0.044619|0.043662|0.046044|0.057761|0.052975|0.080509|0.100658|0.104544|0.172990|0.222271|0.142290|0.147027|0.097665|0.113525|0.500000| |1.302523|1.359290|9.970604|1.460587|1.524627|1.548087|1.503292|1.445847|1.942435|1.533386|2.526204|2.290436|1.916465|2.071664|0.059376|1.825324|1.662627|1.731630|1.545247|2.117356|0.040116|0.045091|1.617901|1.833387|2.358121|4.025307|3.741936|3.270266|4.232124|0.114232|5.705866|12.472987|7.207727|4.744244|7.112390|17.585479|0.035224|0.037902|0.034166|0.040109|0.035770|0.043926|0.041612|0.038908|0.053181|0.054941|0.046640|0.042395|0.046949|0.051120|0.040452|0.041418|0.042168|0.044517|0.054826|0.051587|0.076674|0.088345|0.086872|0.142448|0.147342|0.172984|0.221577|0.111987|0.126871|0.301955|0.500000| 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