Version2.1 2021-01-27T03:44:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4C)C C39667681 RHF 6-31G(d) (6D,7F) Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4C)C C01[X(C27H36N3O2)] 198 C1 552 O=C(N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1C)C)Cc1ccccc1C O=C(N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1C)C)Cc1ccccc1C Cc1cccc(CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)Cc4ccccc4C)c1C InChIKey=GUIHYBYMRHPBOK-DEOSSOPVSA-O InChI=1S/C27H35N3O2/c1-19-8-6-10-23(21(19)3)16-29-26(32)24-17-30(18-27(24)11-13-28-14-12-27)25(31)15-22-9-5-4-7-20(22)2/h4-10,24,28H,11-18H2,1-3H3,(H,29,32)/p+1/t24-/m0/s1 InChI=1/C27H35N3O2/c1-19-8-6-10-23(21(19)3)16-29-26(32)24-17-30(18-27(24)11-13-28-14-12-27)25(31)15-22-9-5-4-7-20(22)2/h4-10,24,28H,11-18H2,1-3H3,(H,29,32)/p+1/t24-/m0/s1/fC27H36N3O2/h28-29H/q+1 Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4C)C C01[X(C27H36N3O2)] 198 C01 552 O=C(N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1C)C)Cc1ccccc1C O=C(N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C]1[CH][CH][CH][C]([C]1C)C)=O)C[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][C](CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)C[C]4[CH][CH][CH][CH][C]4C)[C]1C InChIKey=HCFVUCQLNRNJBZ-DEOSSOPVSA-N InChI=1S/C27H36N3O2/c1-19-8-6-10-23(21(19)3)16-29-26(32)24-17-30(18-27(24)11-13-28-14-12-27)25(31)15-22-9-5-4-7-20(22)2/h4-10,24H,11-18,28H2,1-3H3,(H,29,32)/t24-/m0/s1 InChI=1/C27H36N3O2/c1-19-8-6-10-23(21(19)3)16-29-26(32)24-17-30(18-27(24)11-13-28-14-12-27)25(31)15-22-9-5-4-7-20(22)2/h4-10,24H,11-18,28H2,1-3H3,(H,29,32)/t24-/m0/s1/f/h29H 3184.9986373602 -1356.3260807 1-A 20440.2435 117 435 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62552 -20.60689 -15.86562 -15.68492 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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| 4.5433 12.3295 20.9014 26.8317 29.9901 36.1553 44.3595 60.2043 85.7227 89.3695 103.5153 105.6949 114.8742 147.5091 155.3808 159.4421 170.1333 178.1348 189.8262 195.4549 217.2799 238.5956 250.7181 263.1242 280.7756 290.5596 311.9087 323.1339 337.5951 338.4692 365.6404 366.2880 382.4900 417.7253 435.1551 443.4843 479.6278 487.1620 495.0488 497.3504 520.2310 533.7805 548.3279 562.6682 567.6026 577.1375 580.4698 586.4146 628.6387 645.3797 655.7159 694.6671 714.5081 770.6527 779.6373 800.0214 810.7271 829.9834 849.4514 852.3655 870.6839 878.4090 881.8743 884.9515 895.0282 914.6595 933.9545 940.8530 944.9429 960.1192 986.2752 1000.2400 1024.3899 1033.0023 1037.0701 1055.7660 1060.9574 1069.2676 1074.1911 1092.0389 1093.2445 1095.2248 1104.3182 1109.4079 1113.6910 1120.1123 1138.3110 1139.7813 1146.8521 1154.3668 1166.1759 1172.7949 1175.9576 1179.9227 1187.9503 1205.1119 1214.1694 1227.1007 1234.0828 1236.1737 1247.9248 1287.5827 1294.8413 1297.2535 1311.7597 1319.4087 1321.3041 1332.5482 1341.6042 1343.7209 1354.9519 1369.0051 1369.3706 1371.7348 1377.7892 1384.8966 1407.4157 1423.0039 1440.7062 1449.9291 1455.0538 1458.3998 1461.4872 1503.9393 1514.1480 1517.2411 1543.9359 1546.1204 1557.3510 1563.1767 1564.0011 1565.2569 1569.3177 1573.7769 1577.0348 1582.8895 1609.7364 1610.2014 1622.5244 1627.9385 1629.7623 1632.0339 1638.5527 1640.7096 1644.8571 1646.4004 1647.7180 1649.3673 1653.2568 1658.8988 1671.3493 1676.5696 1685.2041 1688.4259 1699.9634 1781.9223 1788.0389 1801.1288 1814.0237 1827.5657 1923.5648 1946.7478 3192.9578 3200.8528 3205.1064 3205.8568 3211.7360 3214.3693 3223.1005 3243.9654 3254.9601 3255.2106 3255.2904 3258.6664 3265.4049 3265.5358 3270.4225 3280.5119 3282.5505 3289.9640 3292.3717 3295.6195 3309.2852 3312.8144 3324.9555 3330.3372 3339.6753 3341.6637 3348.1507 3354.9613 3360.4064 3367.0593 3373.6067 3387.6404 3389.2762 3667.1910 3730.6448 3887.4914 4.7300 4.2450 3.7058 4.0393 4.2378 5.3068 4.3405 4.4712 3.3716 1.1857 4.8925 3.8501 3.8130 4.0731 1.2617 3.6666 2.8693 3.9169 1.1755 2.7783 3.6732 3.3545 3.2922 3.5982 2.3696 2.6944 4.1209 4.6420 2.4307 2.3549 3.1497 2.4229 2.4479 3.0206 2.3459 2.4839 1.7659 2.3504 2.7207 2.9575 1.8387 4.3355 3.8029 3.1163 3.1671 3.0831 3.7017 4.4567 3.1701 4.3679 4.5590 3.1693 3.8714 4.2103 3.7754 3.8096 2.7021 2.0084 2.4325 2.6823 1.7893 2.6322 3.3081 2.5762 2.1606 3.9953 2.8306 1.8003 2.6965 2.5360 1.3891 2.7243 2.0004 1.4664 2.2520 1.8027 1.8890 1.4217 2.0626 1.7115 1.7627 1.7028 2.1311 1.6232 2.4555 1.3277 2.0840 2.2140 1.5316 2.3637 3.1999 1.5325 2.0601 1.6957 1.9646 2.0202 2.5170 1.9252 1.8038 1.4335 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7.3087 7.1671 7.3308 7.2202 7.2455 7.2932 7.3334 7.4232 7.4357 8.3667 8.9881 9.6133 1.3093 1.3614 0.8041 1.7776 2.1111 6.2887 4.3668 1.7294 1.4329 0.0801 2.4828 3.8334 2.8282 6.8051 0.6664 0.6872 5.1299 0.6323 0.4476 0.9094 3.7681 3.4370 24.8276 5.8860 5.0958 3.0751 3.9502 17.7376 2.3492 2.2681 1.2045 5.8302 4.5070 6.5043 0.1840 12.1878 20.8687 17.1239 0.4927 4.0412 21.1773 3.0944 0.4121 0.3436 3.1198 4.7628 9.1711 5.3706 17.2487 3.1929 19.8455 3.0079 4.5071 8.5401 4.3209 2.5266 11.3862 28.3324 28.8975 5.8297 1.8541 8.4001 13.9960 18.1171 11.8388 1.1338 6.8283 7.0938 10.4520 1.2319 2.0330 2.9348 4.9348 1.6070 6.9482 17.3499 6.3949 0.9299 0.0813 1.7500 12.8154 0.1219 8.4162 7.7418 8.7936 0.0237 5.1194 3.7026 0.5203 2.1279 16.6960 3.2011 1.4565 0.2234 2.3006 2.0859 4.1771 14.9589 2.0847 1.0010 1.4583 34.9976 1.4820 0.0168 5.9742 9.4563 15.9859 116.3871 16.7350 1.1112 28.7855 10.5791 0.9416 84.8877 30.7777 45.7989 4.6437 21.3076 72.1785 34.7225 0.9698 155.9686 11.5463 0.5133 1.2962 5.9092 3.7995 13.1494 11.1359 32.5631 95.8915 10.7895 13.4941 280.9471 2.1172 57.7856 5.2316 1.7095 18.1515 0.9829 2.7573 8.1717 11.4019 9.6027 10.6183 13.3078 8.4540 13.8937 16.0071 13.1727 16.6357 46.0758 58.8366 22.3353 594.6940 0.2159 1.3251 2.0789 1.7425 99.7661 273.3938 334.5836 13.3159 27.0114 12.5908 22.8657 42.6775 37.0998 16.3155 42.4099 20.0930 16.5731 2.9908 45.2282 5.8925 29.1242 26.7974 7.1900 3.0051 7.0120 26.3251 21.6404 17.6611 26.7497 28.5111 2.3977 4.3763 22.4699 4.0076 6.4388 1.7263 21.9748 32.8894 27.0329 28.8523 75.5804 76.8206 50.4807 0.5230 0.7111 3.8097 2.3255 4.6378 0.5790 2.6427 3.7549 1.3646 0.2295 1.0755 1.9827 0.5007 0.4444 0.3347 0.6624 0.3206 0.1285 0.1336 2.2715 2.3063 2.3162 0.4739 0.8771 1.7207 2.3726 2.7918 0.9310 0.6611 0.4197 1.7488 1.1297 0.4816 0.9632 0.3276 1.8298 1.0945 0.8196 0.5658 0.2931 0.4225 5.7910 1.9944 0.2432 4.4552 0.5851 2.6051 3.7780 1.0622 4.2437 4.0120 9.3990 10.1703 1.7337 4.4230 14.8283 1.0676 8.2311 6.4677 5.3636 3.2448 1.3928 0.3672 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312.62 343.29 360.73 378.58 403.97 418.05 448.77 464.92 485.72 486.98 526.07 527.01 550.32 601.01 626.09 638.08 690.08 700.92 712.26 715.58 748.50 767.99 788.92 809.55 816.65 830.37 835.17 843.72 904.47 928.56 943.43 999.47 1028.02 1108.80 1121.72 1151.05 1166.46 1194.16 1222.17 1226.36 1252.72 1263.83 1268.82 1273.25 1287.75 1315.99 1343.75 1353.68 1359.56 1381.40 1419.03 1439.12 1473.87 1486.26 1492.11 1519.01 1526.48 1538.44 1545.52 1571.20 1572.94 1575.78 1588.87 1596.19 1602.35 1611.59 1637.78 1639.89 1650.06 1660.88 1677.87 1687.39 1691.94 1697.65 1709.20 1733.89 1746.92 1765.52 1775.57 1778.58 1795.49 1852.54 1862.99 1866.46 1887.33 1898.33 1901.06 1917.24 1930.27 1933.31 1949.47 1969.69 1970.22 1973.62 1982.33 1992.56 2024.96 2047.39 2072.85 2086.12 2093.50 2098.31 2102.75 2163.83 2178.52 2182.97 2221.38 2224.52 2240.68 2249.06 2250.25 2252.06 2257.90 2264.31 2269.00 2277.42 2316.05 2316.72 2334.45 2342.24 2344.86 2348.13 2357.51 2360.62 2366.58 2368.80 2370.70 2373.07 2378.67 2386.79 2404.70 2412.21 2424.63 2429.27 2445.87 2563.79 2572.59 2591.42 2609.98 2629.46 2767.58 2800.94 4593.95 4605.31 4611.43 4612.51 4620.97 4624.76 4637.32 4667.34 4683.16 4683.52 4683.64 4688.49 4698.19 4698.38 4705.41 4719.92 4722.86 4733.52 4736.99 4741.66 4761.32 4766.40 4783.87 4791.61 4805.05 4807.91 4817.24 4827.04 4834.88 4844.45 4853.87 4874.06 4876.41 5276.27 5367.57 5593.23 0.640211 0.669387 0.670331 0.574499 -1355.685869 -1355.656694 -1355.655750 -1355.751581 3.214187D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2021 DUDE Cc1ccccc1CC(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)NCc4cccc(c4C)C C39667681 RHF 6-31G(d) (6D,10F) C1 434.280753 |X|Y|Z| 77.607664 115.755690 31.899873 65.929326 27 6 7 24 3 |36.858105| |12.598673|36.858105| |7.593303|13.722813|36.858105| |5.016400|7.865412|13.746890|36.858105| |4.419212|6.805929|7.960745|13.791572|36.858105| |5.002009|7.913472|6.941315|7.983528|13.754655|36.858105| |7.486264|13.617303|7.955123|6.847178|7.880050|13.734346|36.858105| |6.359310|7.482218|5.010837|4.435892|5.032645|7.637385|12.588800|36.858105| |5.473462|5.718055|4.168320|3.716469|4.083562|5.532024|7.469577|12.511126|36.858105| |5.585829|5.776283|4.363292|3.839224|4.068987|5.159689|6.690530|7.927483|15.894200|73.516695| |4.116863|4.111749|3.223954|2.960570|3.252394|4.183047|5.044621|7.757565|13.937048|15.223771|53.358707| |3.548400|3.537368|2.844264|2.653147|2.931827|3.719533|4.309558|6.506018|7.542688|9.426325|17.848562|36.858105| |2.867787|2.801241|2.344628|2.205499|2.395225|2.892744|3.231541|4.309534|5.133211|7.435277|10.931727|12.289359|36.858105| |2.535897|2.522894|2.153655|2.060116|2.255873|2.695654|2.917356|3.759979|4.209793|6.238557|8.042901|8.754844|17.565314|0.500000| |2.783159|2.741082|2.322954|2.196639|2.380433|2.840532|3.132572|3.998983|5.245084|8.219034|11.077016|7.797783|12.253810|0.241954|36.858105| |3.453079|3.353444|2.757708|2.548238|2.735543|3.318690|3.827768|5.010827|7.840145|12.594618|17.903398|7.881144|7.921768|0.158800|12.391534|36.858105| |2.509382|2.574821|2.232359|2.173134|2.409222|2.862683|3.004085|3.692511|4.602629|7.364177|8.566950|6.139322|7.578294|0.205328|12.314112|7.514097|36.858105| |2.309514|2.378655|2.110358|2.071424|2.275995|2.627730|2.710294|3.148092|3.927305|6.829012|6.517267|4.287248|4.879375|0.130488|7.415165|6.036046|12.499105|36.858105| |2.088976|2.099018|1.877822|1.825325|1.963305|2.222422|2.320678|2.661363|3.256565|5.757264|5.327309|3.611195|4.359487|0.116679|6.445186|5.113654|7.678112|12.645102|53.358707| |1.972358|1.987603|1.801020|1.758938|1.881942|2.099611|2.173634|2.434184|2.944680|5.338565|4.615970|3.089474|3.565857|0.095583|4.910289|4.294891|5.672899|9.171667|25.683804|0.500000| |1.934513|1.944590|1.747747|1.705859|1.837218|2.071851|2.149613|2.463577|2.924005|5.069403|4.782172|3.410941|4.225814|0.118856|5.756122|4.349704|6.999655|9.195953|25.678243|0.328393|0.500000| |2.230694|2.179402|1.926405|1.835974|1.944198|2.206524|2.370353|2.755882|3.445796|6.124641|5.755858|3.839497|4.827435|0.121036|7.483700|6.042381|6.510801|7.579750|17.191754|0.254347|0.255643|36.858105| |2.399764|2.319645|2.012314|1.901419|2.021262|2.334910|2.551505|3.087664|3.853714|6.464443|6.973059|4.977538|7.338535|0.173245|12.385632|7.417416|7.617397|6.477489|10.448290|0.157514|0.195373|12.513365|36.858105| |2.794135|2.615339|2.199249|2.034129|2.152726|2.539959|2.886652|3.725411|4.262397|6.448537|7.940173|7.591476|12.462081|0.246760|7.373224|6.022054|4.915797|3.725981|4.942730|0.085403|0.098880|4.292995|6.457150|36.858105| |2.941214|2.666069|2.236558|2.036752|2.118026|2.472693|2.858905|3.617407|4.269229|6.723948|7.581664|6.102286|7.968727|0.163997|6.537801|6.216229|4.316047|3.513424|4.799793|0.084511|0.093584|4.409281|6.366895|15.799240|73.516695| |2.483971|2.341011|2.001779|1.867312|1.974045|2.298461|2.565147|3.215216|3.441015|5.267375|5.924742|5.753390|7.851935|0.211578|5.128992|4.275188|3.982783|3.115400|4.171383|0.073532|0.086113|3.464451|4.789665|14.230566|15.135277|53.358707| |2.308019|2.135166|1.849015|1.714860|1.783675|2.036923|2.273959|2.751907|2.887587|4.556241|4.672148|4.154775|4.990599|0.133653|3.823050|3.414064|3.088848|2.565833|3.518854|0.063645|0.072616|2.942242|3.812474|7.751699|12.132131|17.712652|36.858105| |2.077657|1.950248|1.712845|1.604868|1.672503|1.891979|2.076649|2.461760|2.492594|3.943952|3.909237|3.482075|3.941370|0.112339|3.093081|2.782195|2.661053|2.239044|3.041149|0.055703|0.063475|2.451067|3.036630|5.132090|7.973088|10.590695|12.576397|36.858105| |1.811054|1.716802|1.529365|1.446137|1.507166|1.686053|1.822683|2.118916|2.160951|3.476751|3.361382|2.911859|3.347576|0.097932|2.758716|2.446607|2.442045|2.096692|2.897262|0.053435|0.061387|2.310680|2.799920|4.109304|6.525026|7.717390|7.656094|13.692321|36.858105| |1.657451|1.584704|1.426681|1.358405|1.415553|1.569959|1.678465|1.920557|1.926707|3.114721|2.939237|2.519432|2.795970|0.082553|2.352589|2.115371|2.146044|1.867117|2.561249|0.047735|0.054357|2.002743|2.360113|3.241061|5.207069|5.689767|5.049152|7.905969|13.808289|36.858105| |1.691093|1.621165|1.461667|1.392863|1.451218|1.607521|1.716176|1.955305|1.919756|3.086377|2.887862|2.487836|2.656357|0.078056|2.218493|2.032409|2.040308|1.772084|2.391058|0.044719|0.050330|1.854374|2.168864|3.016527|4.849301|5.194011|4.447852|6.878591|7.990092|13.772200|36.858105| |1.898928|1.810793|1.617456|1.531445|1.595389|1.780772|1.920230|2.210751|2.136206|3.391999|3.204758|2.807537|2.914767|0.084492|2.374086|2.206459|2.157214|1.851136|2.463857|0.045917|0.051332|1.919239|2.266088|3.343622|5.340480|5.820204|4.978853|7.885554|6.860651|7.893002|13.731088|36.858105| |2.145211|2.019762|1.774811|1.663027|1.732701|1.959230|2.149669|2.536105|2.476500|3.885162|3.787594|3.396512|3.569875|0.101532|2.801573|2.598131|2.464239|2.078319|2.763875|0.051011|0.057231|2.189844|2.653628|4.344087|6.821706|8.096605|7.461927|13.621547|7.888099|6.813729|7.902177|13.584823|36.858105| |2.526489|2.350129|2.032181|1.880666|1.953545|2.232122|2.498507|2.992349|2.832753|4.366978|4.259340|3.856735|3.759177|0.102763|2.911100|2.808106|2.533443|2.125093|2.772572|0.051226|0.056494|2.200817|2.659844|4.512571|7.217689|7.692825|6.319894|7.469452|4.986484|4.419009|5.028108|7.586981|12.570095|36.858105| |1.882150|1.806549|1.626626|1.545452|1.606450|1.779931|1.907033|2.159380|2.034461|3.235776|2.978411|2.573693|2.562754|0.073701|2.123524|2.016991|1.961274|1.698924|2.235691|0.041985|0.046291|1.723350|1.998083|2.831066|4.595044|4.638024|3.742442|4.996568|4.441664|5.027391|7.604399|12.594602|7.507964|6.548798|36.858105| |17.576709|8.836383|5.905028|4.295375|3.953002|4.566027|6.642901|6.399206|6.438429|12.585940|6.423991|3.842677|3.132400|0.075298|3.113953|4.042665|2.742224|2.535610|3.130868|0.060205|0.058506|2.497349|2.681348|3.057425|5.863068|3.599495|2.439674|2.149957|1.873049|1.695697|1.710787|1.910439|2.180601|2.540982|1.863612|0.500000| |17.523059|8.802643|5.896072|4.289242|3.946782|4.557402|6.618376|6.396337|5.176240|8.633175|5.603199|3.741091|2.989453|0.073499|2.796555|3.386848|2.490733|2.246677|2.781567|0.053179|0.053067|2.192359|2.408095|2.975369|5.536933|3.648875|2.509958|2.268409|1.949664|1.782896|1.834708|2.089470|2.378436|2.877868|2.083868|0.301241|0.500000| |17.594061|8.868754|7.357432|4.793368|3.981580|4.181968|5.551612|4.688370|4.234567|7.928747|4.588231|2.964699|2.487575|0.061869|2.436853|2.956849|2.215727|2.074273|2.590468|0.050392|0.049121|2.031278|2.155687|2.458700|4.630791|3.017696|2.098612|1.906065|1.677988|1.545828|1.577910|1.760531|1.967387|2.291434|1.754044|0.302212|0.302939|0.500000| |7.090312|8.944375|17.712095|8.946711|5.664281|4.986970|5.653878|4.078070|3.563159|6.726348|3.880711|2.538126|2.142154|0.054718|2.127448|2.507933|2.028507|1.934098|2.380254|0.046831|0.045301|1.807104|1.878200|2.047092|3.741394|2.550580|1.755978|1.629562|1.460349|1.365253|1.398280|1.542962|1.687002|1.924748|1.554375|0.153915|0.153864|0.229017|0.500000| |4.101825|5.619924|8.920083|17.718599|8.914615|5.659569|4.938756|3.547723|3.087838|5.712988|3.463421|2.308621|1.963032|0.051333|1.963222|2.244058|1.952254|1.882571|2.281284|0.045182|0.043677|1.680654|1.726200|1.825485|3.255311|2.299794|1.565520|1.474417|1.338738|1.264370|1.296652|1.417516|1.526783|1.711537|1.435112|0.099702|0.099616|0.114381|0.216248|0.500000| |3.537114|4.917369|5.648686|8.905418|17.720416|8.910865|5.622926|4.112640|3.479548|6.152762|3.939076|2.658195|2.217047|0.058860|2.212267|2.483927|2.284020|2.179519|2.558199|0.050315|0.049135|1.836452|1.894688|1.985584|3.449066|2.501098|1.662428|1.571752|1.428711|1.350085|1.384220|1.511740|1.626831|1.813119|1.525769|0.090064|0.089968|0.090622|0.124315|0.214008|0.500000| |4.074821|5.633351|4.984990|5.671064|8.947510|17.687046|8.929818|7.139079|5.394592|8.555561|5.896228|3.966342|3.064418|0.080702|2.996279|3.402872|3.120355|2.826830|3.188021|0.061117|0.060971|2.282746|2.424690|2.615557|4.433499|3.234512|2.075008|1.936684|1.731798|1.614831|1.651941|1.824638|2.002077|2.260237|1.818495|0.107346|0.107234|0.095988|0.108060|0.124414|0.215947|0.500000| |4.749886|5.614599|4.227074|4.019535|4.820708|7.384947|8.927094|17.560890|8.916164|10.730754|9.872605|7.099915|4.525368|0.113968|4.051920|4.704789|3.916666|3.240267|3.661096|0.067853|0.070084|2.718614|3.073716|3.741926|6.174096|4.498781|2.771890|2.523759|2.178450|1.986450|2.032103|2.299569|2.619484|3.069275|2.253269|0.130355|0.136188|0.104508|0.096938|0.091352|0.114689|0.227362|0.500000| |6.966682|6.917023|4.655378|3.962317|4.234843|5.754391|8.831336|17.525795|9.009942|11.251986|9.350143|6.449888|4.320899|0.103811|3.809864|4.657156|3.375242|2.858841|3.394769|0.063240|0.064771|2.639274|3.017171|3.974322|6.935568|4.725894|3.017202|2.690211|2.269839|2.048425|2.101783|2.417414|2.814595|3.446392|2.369082|0.188809|0.225457|0.139632|0.109957|0.090256|0.097921|0.147839|0.305385|0.500000| |3.289393|3.437731|2.816674|2.702198|3.074846|3.956320|4.343709|6.359367|6.523487|8.401082|12.319258|17.564960|8.734993|0.227299|6.320375|6.022279|6.045168|4.205791|4.664436|0.082203|0.091379|3.448821|4.257159|5.678828|8.196515|6.618072|3.624502|3.213361|2.745127|2.433210|2.431803|2.732605|3.207989|3.600013|2.549560|0.095840|0.095689|0.077001|0.069042|0.065303|0.078547|0.123127|0.223600|0.164485|0.500000| |3.818459|3.677778|2.916988|2.669489|2.896863|3.645547|4.364608|6.645560|6.700139|8.564161|12.258512|17.589731|8.705325|0.189968|5.733179|6.043355|4.582623|3.466064|4.152502|0.074086|0.080899|3.298359|4.195357|7.567582|11.133396|8.394877|4.594165|3.853034|3.098131|2.673810|2.686425|3.125353|3.887195|4.714835|2.880279|0.112776|0.117199|0.087942|0.072799|0.064463|0.072270|0.104954|0.193531|0.211766|0.302910|0.500000| |3.542275|3.271831|2.691947|2.437127|2.547975|3.025146|3.560697|4.527289|6.654118|11.432908|12.352342|6.420151|6.720478|0.136681|8.779129|17.601521|5.506839|4.779811|6.117122|0.108060|0.107972|5.776969|7.100227|6.243895|13.313688|5.912766|3.607688|2.859946|2.499086|2.139901|2.046035|2.223625|2.643273|2.864688|2.021687|0.118248|0.097069|0.085159|0.069265|0.060004|0.063962|0.083926|0.113936|0.123677|0.135597|0.155216|0.500000| |3.356590|3.344626|2.804150|2.621399|2.819842|3.376785|3.798500|4.660166|7.315782|13.842826|12.509913|5.819735|5.667083|0.126845|8.606426|17.639563|7.082454|6.812801|7.462888|0.132682|0.123160|6.113971|6.240028|4.511196|8.305491|4.704570|2.867337|2.406087|2.157730|1.895801|1.826479|1.964799|2.266806|2.432527|1.817081|0.109533|0.088519|0.080846|0.070743|0.064331|0.071474|0.095975|0.120721|0.115406|0.138371|0.130038|0.302420|0.500000| |2.688650|2.836935|2.444243|2.406205|2.730521|3.323911|3.428062|4.275950|5.263311|8.111238|9.598049|6.812139|6.899534|0.188395|8.733298|7.037476|17.587276|9.018213|7.629231|0.127218|0.143214|4.887081|5.514439|4.473231|6.969815|5.057766|2.905400|2.554725|2.321447|2.067783|2.000418|2.138815|2.428779|2.547630|1.976142|0.080754|0.073883|0.065207|0.060760|0.059464|0.071937|0.103633|0.131011|0.104509|0.206947|0.136578|0.140740|0.189864|0.500000| |2.251136|2.305204|2.023013|1.981780|2.193269|2.571292|2.664931|3.225690|3.780665|6.034263|6.728152|5.355464|7.037433|0.226760|8.772686|5.493656|17.510126|8.913812|9.369293|0.143842|0.204035|5.682028|6.818399|4.757122|7.144147|5.574085|3.151481|2.767411|2.584544|2.276690|2.146096|2.241463|2.538765|2.546945|2.019913|0.067284|0.062790|0.055747|0.051372|0.049869|0.058360|0.078178|0.096686|0.083728|0.152890|0.116399|0.123001|0.141096|0.303670|0.500000| |2.489957|2.576239|2.283736|2.235491|2.448747|2.824974|2.925919|3.348453|4.338967|7.936558|6.883119|4.172004|4.436196|0.113533|6.611201|6.553676|8.734222|17.648408|12.434468|0.225542|0.181211|6.904095|5.672819|3.493487|6.062500|3.936868|2.424144|2.110575|1.961170|1.751955|1.675241|1.761459|1.978547|2.052724|1.630798|0.076909|0.066140|0.062035|0.058008|0.056245|0.064719|0.083434|0.093374|0.083048|0.111882|0.094765|0.142997|0.239602|0.214409|0.173222|0.500000| |2.117447|2.212603|1.994937|1.989891|2.203821|2.512717|2.524439|2.862466|3.415829|5.940239|5.417809|3.696425|4.069309|0.114060|5.427327|4.596158|8.769448|17.625576|12.363697|0.222207|0.225079|5.572737|4.888258|3.185078|5.290433|3.769714|2.314017|2.067228|1.958055|1.768339|1.685098|1.749429|1.935902|1.968380|1.617375|0.063582|0.057210|0.053222|0.050782|0.050611|0.059533|0.076015|0.083189|0.071985|0.105028|0.084913|0.105164|0.141504|0.212508|0.217072|0.301634|0.500000| |2.398383|2.331938|2.057495|1.947743|2.048204|2.319686|2.513424|2.893107|3.725552|6.906791|6.032046|3.771282|4.423883|0.107551|6.725093|6.633683|5.749717|6.936886|12.416950|0.224089|0.181100|17.627702|8.749392|3.979191|7.564244|4.333106|2.749517|2.294938|2.140957|1.868151|1.748946|1.825026|2.081370|2.128336|1.656345|0.075791|0.064542|0.060704|0.053698|0.049434|0.053403|0.065889|0.077573|0.076359|0.093206|0.090697|0.182451|0.205123|0.128933|0.132289|0.207436|0.142702|0.500000| |2.018692|1.959633|1.751918|1.670950|1.754743|1.964297|2.100879|2.401496|2.911136|5.200954|4.703468|3.228788|4.005240|0.103443|5.454242|4.598309|4.890481|5.574250|12.362585|0.222874|0.224569|17.627473|8.768776|3.792942|7.022478|4.341658|2.805660|2.356210|2.263633|1.965897|1.802792|1.843440|2.086331|2.066422|1.649508|0.062314|0.055294|0.051691|0.046065|0.042837|0.046253|0.056152|0.065761|0.064680|0.081479|0.079551|0.128380|0.127997|0.107712|0.127698|0.142678|0.126484|0.301223|0.500000| |2.164206|2.105375|1.845274|1.758164|1.873923|2.149572|2.316327|2.775832|3.306804|5.478885|5.819982|4.484105|6.805068|0.183192|8.788285|5.447185|6.836861|5.700166|9.430926|0.144530|0.206882|8.903116|17.490769|6.191351|10.007480|6.853965|3.980733|3.218894|3.045063|2.549722|2.302285|2.366824|2.753636|2.676461|2.058642|0.065969|0.060881|0.054374|0.047949|0.044594|0.049212|0.062474|0.078310|0.075932|0.110993|0.107285|0.143939|0.131212|0.139487|0.200506|0.131722|0.128750|0.173084|0.215257|0.500000| |2.469040|2.327179|2.011119|1.874826|1.965060|2.257534|2.509410|3.029348|3.758209|6.362389|6.623431|4.703522|6.618752|0.150146|8.793206|6.892338|5.519893|4.860075|7.619222|0.126964|0.143873|8.993899|17.645604|7.097417|14.495154|6.924056|4.219879|3.221776|2.936761|2.436290|2.227204|2.336028|2.773748|2.787048|2.045483|0.077329|0.069273|0.061881|0.052599|0.047329|0.050826|0.064101|0.081976|0.084301|0.108391|0.116337|0.216634|0.156676|0.123070|0.139570|0.127009|0.107520|0.212863|0.212730|0.303699|0.500000| |2.344752|2.257128|1.945020|1.837374|1.962858|2.287042|2.506145|3.124375|3.267635|4.973765|5.577935|5.609475|7.471212|0.239808|4.831478|3.921670|4.031269|3.103326|4.087688|0.072020|0.085838|3.259535|4.388379|9.386537|10.858379|26.078518|9.012015|7.547399|5.818520|4.440395|4.089426|4.549085|6.097070|5.534974|3.601955|0.068434|0.070083|0.058190|0.050332|0.046257|0.051154|0.066612|0.091896|0.092290|0.141727|0.162091|0.106137|0.090100|0.106039|0.119859|0.078790|0.078089|0.082421|0.083303|0.132563|0.122156|0.500000| |2.520252|2.278198|1.957698|1.791651|1.844605|2.105624|2.391029|2.894938|3.024066|4.783719|4.793132|4.141584|4.655208|0.118367|3.660651|3.460766|2.922066|2.460580|3.351744|0.061162|0.067967|2.830548|3.595951|7.195434|12.978336|12.502331|17.648369|8.781747|5.766822|4.237577|3.950432|4.587043|6.797391|6.777378|3.638940|0.074242|0.077131|0.063665|0.051904|0.045328|0.047370|0.058810|0.079256|0.090254|0.098269|0.132397|0.104601|0.080596|0.077329|0.080602|0.065828|0.061383|0.075308|0.074674|0.099933|0.113122|0.184059|0.500000| |2.130729|1.972446|1.724844|1.604304|1.662593|1.881208|2.084970|2.481259|2.654299|4.282029|4.274726|3.637659|4.501360|0.120917|3.698914|3.260570|2.992914|2.544595|3.595770|0.065229|0.074763|3.059795|3.942455|6.713925|11.453893|12.429016|17.596319|8.911533|7.445171|4.845756|4.027182|4.193779|5.584134|4.706970|3.222262|0.063016|0.063420|0.054338|0.045741|0.040909|0.043222|0.053161|0.068965|0.074271|0.088785|0.107029|0.096935|0.077137|0.076562|0.085278|0.066524|0.063661|0.078521|0.083032|0.116823|0.124319|0.192856|0.305073|0.500000| |1.748802|1.657321|1.479893|1.400523|1.458298|1.627519|1.756488|2.035707|2.113998|3.434887|3.309310|2.816573|3.337495|0.097382|2.826692|2.471199|2.491620|2.160428|3.046216|0.056139|0.065053|2.452526|2.973684|4.117188|6.649247|7.442167|7.171460|8.914612|17.703359|8.947893|5.669449|4.944546|5.624195|4.066460|3.550857|0.050654|0.051792|0.045113|0.039311|0.036074|0.038451|0.046429|0.057832|0.059977|0.073236|0.081414|0.070492|0.060730|0.064676|0.073637|0.055830|0.055885|0.062438|0.067706|0.091558|0.087249|0.151112|0.149200|0.231590|0.500000| |1.521518|1.460780|1.324859|1.267056|1.319324|1.453741|1.543345|1.748307|1.762608|2.875819|2.675237|2.256557|2.511511|0.074347|2.167782|1.946010|2.004089|1.768194|2.446749|0.045881|0.052244|1.901171|2.205456|2.851475|4.639680|4.815093|4.120376|5.629051|8.921570|17.722486|8.912067|5.626569|4.921564|3.537117|4.103558|0.043266|0.045115|0.039619|0.035299|0.032903|0.035110|0.041563|0.050180|0.051319|0.060892|0.065514|0.054591|0.048949|0.053428|0.059339|0.046005|0.046826|0.049134|0.052348|0.066612|0.062922|0.103934|0.098050|0.115208|0.215393|0.500000| |1.567622|1.511666|1.374991|1.317226|1.371123|1.507061|1.595530|1.794512|1.752290|2.835123|2.605941|2.215344|2.336181|0.068683|1.988204|1.833694|1.856355|1.630430|2.197588|0.041380|0.046293|1.688914|1.944430|2.588353|4.205533|4.296619|3.555262|4.954638|5.673402|8.944306|17.713896|8.939494|5.631250|4.104810|7.097799|0.043824|0.047062|0.040862|0.036623|0.034228|0.036507|0.043029|0.051875|0.053254|0.060810|0.065900|0.051091|0.046260|0.050802|0.054241|0.042911|0.043402|0.044388|0.045747|0.057190|0.055126|0.093827|0.089980|0.091532|0.124603|0.215489|0.500000| |2.567846|2.442482|2.112011|1.972469|2.071895|2.383175|2.641447|3.173566|2.910008|4.426682|4.336769|4.011513|3.744231|0.104547|2.881766|2.780426|2.571598|2.141539|2.747184|0.050768|0.056005|2.141958|2.568544|4.186036|6.533211|6.880900|5.045379|5.814536|4.274097|3.966104|4.620631|6.787393|8.825827|17.540805|6.716003|0.070740|0.081415|0.064237|0.055057|0.049705|0.053548|0.067679|0.092850|0.101300|0.108219|0.136910|0.076985|0.067349|0.073219|0.072029|0.057403|0.055548|0.057584|0.055448|0.071767|0.073187|0.146553|0.143140|0.109275|0.098830|0.090333|0.108988|0.500000| |2.831959|2.587503|2.195989|2.007697|2.082130|2.408026|2.754488|3.392924|3.266300|4.972480|4.997267|4.582978|4.430675|0.115810|3.341744|3.269410|2.806329|2.328293|3.032291|0.055658|0.061210|2.447647|3.014792|5.645921|9.108473|9.364479|7.465473|7.100935|4.682172|3.929215|4.157277|5.558022|8.760956|17.641017|4.782282|0.080352|0.090268|0.070394|0.057596|0.050356|0.053164|0.067352|0.094964|0.110874|0.113152|0.163602|0.094068|0.076971|0.078049|0.077117|0.062780|0.059058|0.066081|0.063253|0.082826|0.089125|0.171592|0.248431|0.147178|0.111428|0.089585|0.095829|0.303001|0.500000| |2.490241|2.287825|1.996500|1.837204|1.883874|2.123524|2.380373|2.776654|2.604973|4.084014|3.804358|3.296575|3.170212|0.085670|2.560928|2.526777|2.246729|1.924456|2.522304|0.047068|0.051184|2.003204|2.370422|3.744252|6.293568|6.005852|5.084191|5.852970|4.292331|3.972193|4.613396|6.753625|8.833391|17.551976|6.645141|0.068836|0.079463|0.063634|0.053083|0.046702|0.048525|0.059007|0.077815|0.089323|0.085777|0.110216|0.072363|0.061727|0.062871|0.062266|0.052125|0.049706|0.054335|0.052616|0.065734|0.069424|0.117894|0.159118|0.112615|0.099357|0.090481|0.108730|0.303351|0.303155|0.500000| |1.976843|1.919092|1.723350|1.644921|1.723252|1.920333|2.048108|2.328433|2.156662|3.396021|3.148257|2.757254|2.683439|0.077722|2.201451|2.094633|2.052587|1.763927|2.291907|0.042956|0.047373|1.751991|2.032882|2.888049|4.621313|4.676046|3.580807|4.552960|3.960574|4.291918|5.895020|8.800768|6.646260|6.607002|17.541361|0.054004|0.061000|0.050827|0.045428|0.042280|0.045498|0.054832|0.068448|0.070982|0.077229|0.086196|0.057671|0.052407|0.058143|0.058706|0.047031|0.046777|0.046839|0.046208|0.057967|0.057243|0.102897|0.096691|0.084791|0.090159|0.099520|0.153762|0.219892|0.135085|0.176125|0.500000| |1.939791|1.840521|1.658375|1.563625|1.610030|1.775806|1.918034|2.155803|2.021041|3.230038|2.921779|2.485573|2.442393|0.068840|2.044503|1.976367|1.872750|1.634133|2.152928|0.040582|0.044275|1.670676|1.926693|2.724642|4.524811|4.361937|3.586700|4.564433|3.969318|4.299140|5.900413|8.809485|6.659709|6.625092|17.548040|0.053101|0.060145|0.050506|0.044289|0.040378|0.042286|0.049886|0.061671|0.066425|0.067622|0.078094|0.055555|0.049549|0.052467|0.052966|0.043931|0.043067|0.044964|0.044452|0.054541|0.055278|0.091178|0.100989|0.086124|0.090391|0.099690|0.153819|0.178771|0.135059|0.217871|0.302680|0.500000| 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