Version2.0 2019-11-16T08:41:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1)[nH]c(n2)[C@H](C)NC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)CCCc5ccccc5 C44737428 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1)[nH]c(n2)[C@H](C)NC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)CCCc5ccccc5 C01[X(C29H38N5O2)] 216 C1 616 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)N[C@H](c1nc2c([nH]1)cc(cc2)C)C O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)N[C@H](c1nc2c([nH]1)cc(cc2)C)C C[C@H](NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)CCCc3ccccc3)c4[nH]c5cc(C)ccc5n4 InChIKey=MUEIEIRZLLJGKT-JTHBVZDNSA-O InChI=1S/C29H37N5O2/c1-20-11-12-24-25(17-20)33-27(32-24)21(2)31-28(36)23-18-34(19-29(23)13-15-30-16-14-29)26(35)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,17,21,23,30H,6,9-10,13-16,18-19H2,1-2H3,(H,31,36)(H,32,33)/p+1/t21-,23+/m0/s1 InChI=1/C29H37N5O2/c1-20-11-12-24-25(17-20)33-27(32-24)21(2)31-28(36)23-18-34(19-29(23)13-15-30-16-14-29)26(35)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,17,21,23,30H,6,9-10,13-16,18-19H2,1-2H3,(H,31,36)(H,32,33)/p+1/t21-,23+/m0/s1/fC29H38N5O2/h30-31,33H/q+1 Cc1ccc2c(c1)[nH]c(n2)[C@H](C)NC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)CCCc5ccccc5 C01[X(C29H38N5O2)] 216 C01 616 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)CCCc1ccccc1)N[C@H](c1nc2c([nH]1)cc(cc2)C)C Cc1ccc2c(c1)N[C@@H](N2)[C@@H](NC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)CCCc1ccccc1)C C[C@H](NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)CCCc3ccccc3)[C@@H]4Nc5ccc(C)cc5N4 InChIKey=UUBPQIVVVFREEZ-VBANMALSSA-N InChI=1S/C29H40N5O2/c1-20-11-12-24-25(17-20)33-27(32-24)21(2)31-28(36)23-18-34(19-29(23)13-15-30-16-14-29)26(35)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,17,21,23,27,32-33H,6,9-10,13-16,18-19,30H2,1-2H3,(H,31,36)/t21-,23+,27+/m0/s1 InChI=1/C29H40N5O2/c1-20-11-12-24-25(17-20)33-27(32-24)21(2)31-28(36)23-18-34(19-29(23)13-15-30-16-14-29)26(35)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,17,21,23,27,32-33H,6,9-10,13-16,18-19,30H2,1-2H3,(H,31,36)/t21-,23+,27+/m0/s1/f/h31H 3788.1259202921 -1542.1630472 1-A 30514.8836 131 485 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64293 -20.60103 -15.83337 -15.72593 -15.70457 -15.67357 -15.66786 -11.46509 -11.43608 -11.43010 -11.42933 -11.42335 -11.40199 -11.38356 -11.37373 -11.37050 -11.36666 -11.36637 -11.36542 -11.36042 -11.35684 -11.33936 -11.33666 -11.33536 -11.32976 -11.32399 -11.30625 -11.30135 -11.28094 -11.28023 -11.27961 -11.27076 -11.27045 -11.26904 -11.26868 -11.26696 -1.51397 -1.47627 -1.47249 -1.46631 -1.36147 -1.35689 -1.29131 -1.24961 -1.24477 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840.2656 845.5243 846.5158 863.2902 875.7524 885.8415 891.3982 905.1602 914.3352 923.9812 938.6908 956.6034 963.5935 972.9665 986.2321 988.6805 1009.0702 1028.5107 1031.4423 1062.2567 1069.5924 1071.4606 1076.5034 1089.8802 1090.4468 1098.2425 1109.0293 1111.2401 1115.6505 1119.3841 1124.4633 1126.8844 1131.5625 1139.5861 1140.3979 1142.1804 1155.3298 1160.8653 1174.2348 1184.3397 1186.6733 1215.4617 1220.0699 1226.8036 1243.2527 1255.5653 1256.5603 1273.5085 1286.5470 1291.6398 1302.1375 1311.5473 1321.6933 1325.2593 1330.5445 1342.6049 1344.1916 1345.4518 1347.4246 1367.9334 1384.2792 1386.2592 1402.5726 1411.4845 1419.2267 1433.4074 1446.8583 1449.6397 1452.9858 1457.1265 1461.5042 1466.2390 1483.2421 1488.2891 1496.4433 1523.6705 1527.4160 1536.5132 1541.4185 1555.2588 1564.0971 1564.8063 1571.0177 1575.6295 1584.5407 1589.5527 1598.2482 1611.7708 1612.9857 1619.9415 1621.4207 1629.0701 1633.7987 1634.9576 1636.7087 1642.3656 1643.1967 1643.5848 1649.6436 1650.2949 1663.8555 1666.0114 1671.9150 1676.6474 1689.3313 1695.6563 1733.0166 1780.5271 1785.7516 1812.4175 1836.2557 1844.2404 1942.7552 1950.1552 3193.2888 3199.0596 3199.8055 3211.1974 3216.0368 3219.7066 3226.9872 3228.1189 3240.1102 3248.2438 3252.4370 3267.1412 3267.7211 3271.2006 3274.1297 3278.5966 3286.6227 3293.1633 3294.5425 3297.5881 3302.5712 3305.6205 3312.0500 3328.9630 3334.8328 3344.9981 3345.6216 3346.5803 3346.9667 3364.1756 3373.0398 3374.7515 3378.4435 3388.8993 3490.9026 3726.7617 3893.4526 3899.5520 5.4334 3.8476 4.2602 5.1863 4.6243 4.6685 4.6524 1.9236 2.7148 2.2273 3.8887 4.1247 3.5957 2.0403 4.9886 2.8679 3.9460 3.4382 3.1710 4.5396 3.8282 4.5189 2.5115 3.2826 3.1976 2.3194 1.8108 2.8114 3.7692 3.7031 4.6188 3.3206 4.4359 2.3702 5.3632 1.9988 2.5656 1.7875 1.8526 2.9200 3.2849 3.3606 3.2636 4.2035 3.3153 2.5004 1.2153 3.5192 3.0524 3.9514 3.1793 2.4013 4.2826 3.1520 3.2095 4.0990 6.3404 3.2933 3.7397 2.0781 3.3224 1.2234 5.4722 5.9332 3.3736 2.2214 3.4130 4.0623 1.9803 3.6859 2.7909 1.5405 3.9499 4.2777 1.5416 1.2553 2.2585 1.5975 1.4069 2.7463 1.9316 2.9489 1.4349 3.1785 1.3426 1.8922 2.3763 4.4611 3.5880 1.3639 1.8825 1.7712 2.6039 1.8988 1.9624 1.3584 2.2419 2.3483 2.0070 1.8025 2.2880 3.2003 1.5246 1.8742 2.6249 2.3893 2.4535 1.8853 1.7068 1.9696 1.9131 1.1862 1.8244 1.2619 1.1880 2.0151 2.4126 1.7174 1.3274 1.7958 1.6931 2.0813 1.5882 1.9830 1.7427 2.0418 2.2169 3.4140 1.2515 1.8072 1.5159 1.2461 1.1094 1.3592 1.2155 1.7105 1.4220 1.2568 1.4746 1.5317 1.5291 1.4724 1.8135 1.3704 1.5548 1.2884 1.2470 1.3598 1.4122 2.2849 2.1877 1.2013 1.1397 2.1173 2.1124 1.0440 1.0976 1.1322 1.0444 1.2382 1.1298 1.1612 1.1032 1.1045 3.2565 1.1001 2.2057 1.0913 1.1749 1.6984 4.3226 6.5991 5.2059 5.3130 5.4605 1.0910 11.7305 9.5640 1.0616 1.0619 1.0737 1.0377 1.0852 1.0367 1.1043 1.1000 1.0634 1.0633 1.0674 1.1028 1.0888 1.0670 1.0618 1.0633 1.1055 1.1027 1.1024 1.0930 1.1049 1.1036 1.1003 1.1071 1.1094 1.1034 1.0883 1.0889 1.0895 1.0911 1.0952 1.0952 1.0933 1.0988 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0.5185 4.3708 28.0515 7.9225 12.9372 3.0382 4.9721 6.3082 38.7405 19.4205 0.3225 4.9945 0.1043 3.5741 11.8960 8.6089 3.7792 3.1047 0.4299 1.8633 12.1897 2.1621 15.4722 1.9428 4.0659 3.7261 0.0175 5.0251 14.6063 12.1270 5.1152 5.9600 1.4884 2.9288 9.6021 2.8121 2.4322 13.1966 1.5744 3.5562 3.6317 5.5136 21.3381 14.0104 1.7576 2.4299 3.3465 14.4319 0.1083 14.3131 7.2810 0.1505 25.4587 0.9899 23.0988 27.5987 121.8793 7.0855 12.9749 0.1677 85.0937 34.6615 38.7369 34.8363 37.1464 1.0789 3.4906 47.5221 2.0113 1.4641 1.1454 14.9588 202.1856 1.4721 0.4968 3.9777 61.9107 34.9192 0.1137 121.7620 1.5360 4.3667 4.2207 1.0934 6.3263 0.6349 339.5383 11.9930 61.7138 30.4318 72.7431 8.1550 6.2427 6.6933 5.9398 11.4007 29.3871 7.5059 19.7587 7.1697 4.9444 28.0604 20.7353 14.1346 1.1429 101.5587 241.4322 43.9525 2.0101 2.4172 5.9152 35.7368 71.2111 314.9567 218.6314 4.6601 50.2864 33.1994 31.5690 16.3855 17.1251 15.2469 11.6256 19.3373 31.3006 16.3959 20.5393 2.7926 2.1232 13.1606 9.4813 27.5908 17.2270 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128.23 142.67 156.58 162.02 173.65 215.61 228.80 251.86 265.27 278.38 285.74 317.54 340.85 358.62 372.94 384.41 418.86 438.50 454.31 474.58 488.06 515.57 532.89 546.89 586.79 597.21 628.49 653.62 655.26 669.11 689.24 697.06 708.10 730.60 736.01 796.24 797.84 831.64 842.74 895.73 899.61 940.90 952.46 957.20 959.48 980.74 1040.41 1105.78 1122.27 1134.76 1157.31 1188.92 1196.60 1208.95 1216.52 1217.95 1242.08 1260.01 1274.53 1282.52 1302.32 1315.52 1329.40 1350.57 1376.34 1386.40 1399.88 1418.97 1422.49 1451.83 1479.80 1484.02 1528.35 1538.90 1541.59 1548.85 1568.09 1568.91 1580.13 1595.65 1598.83 1605.17 1610.54 1617.85 1621.34 1628.07 1639.61 1640.78 1643.34 1662.26 1670.23 1689.46 1704.00 1707.36 1748.78 1755.41 1765.10 1788.76 1806.48 1807.91 1832.29 1851.05 1858.38 1873.49 1887.02 1901.62 1906.75 1914.36 1931.71 1933.99 1935.81 1938.64 1968.15 1991.67 1994.52 2017.99 2030.81 2041.95 2062.35 2081.71 2085.71 2090.52 2096.48 2102.78 2109.59 2134.05 2141.32 2153.05 2192.22 2197.61 2210.70 2217.76 2237.67 2250.39 2251.41 2260.34 2266.98 2279.80 2287.01 2299.52 2318.98 2320.73 2330.73 2332.86 2343.87 2350.67 2352.34 2354.86 2363.00 2364.19 2364.75 2373.47 2374.41 2393.92 2397.02 2405.51 2412.32 2430.57 2439.67 2493.42 2561.78 2569.30 2607.66 2641.96 2653.45 2795.19 2805.84 4594.43 4602.73 4603.81 4620.20 4627.16 4632.44 4642.91 4644.54 4661.80 4673.50 4679.53 4700.69 4701.52 4706.53 4710.74 4717.17 4728.72 4738.13 4740.11 4744.49 4751.66 4756.05 4765.30 4789.64 4798.08 4812.71 4813.60 4814.98 4815.54 4840.30 4853.05 4855.51 4860.83 4875.87 5022.63 5361.98 5601.81 5610.59 0.691618 0.723398 0.724342 0.623077 -1541.471429 -1541.439649 -1541.438705 -1541.539971 3.396478D-04 MUNgauss RevisionA1.9 retrievium 16-Nov-2019 DUDE Cc1ccc2c(c1)[nH]c(n2)[C@H](C)NC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)CCCc5ccccc5 C44737428 RHF 6-31G(d) (6D,10F) C1 488.302521 |X|Y|Z| 46.464433 54.217362 159.424617 73.779913 32 6 7 27 5 |36.858105| |12.606685|36.858105| |7.549208|13.515219|36.858105| |5.006692|7.812287|13.856186|36.858105| |4.429707|6.827887|8.009116|13.656728|36.858105| |5.046202|8.033079|7.001491|7.948908|13.746789|36.858105| |7.567376|13.807109|7.907914|6.749706|7.806518|13.704721|36.858105| |3.779680|5.129805|4.681568|5.428633|8.720613|13.820806|7.517918|53.358707| |3.522139|4.485363|3.937541|4.296989|6.040320|8.955990|6.524448|26.056981|0.500000| |3.193696|4.221689|4.268660|5.429295|8.917599|8.639686|5.325754|19.185900|0.252855|36.858105| |3.357292|4.575219|5.111975|7.509215|13.669712|8.367302|5.285223|11.753619|0.167905|14.684972|53.358707| |2.569316|3.179017|3.188104|3.832070|5.247971|5.232239|3.841411|10.475728|0.194418|12.544858|10.238607|36.858105| |2.511250|3.046701|2.954469|3.406595|4.529740|4.894320|3.752965|10.120228|0.219030|9.025170|7.814319|17.604497|0.500000| |2.382781|2.882479|2.895212|3.407475|4.390591|4.367332|3.398299|7.904119|0.153082|7.616264|7.836462|12.440345|0.246496|36.858105| |2.280655|2.767449|2.864181|3.469424|4.441355|4.117073|3.180032|7.120180|0.132610|7.740202|8.702165|13.191310|0.257539|7.829855|53.358707| |2.218302|2.660622|2.746817|3.270779|4.053662|3.796858|3.022210|6.284831|0.119570|6.116166|7.348162|7.792438|0.200239|5.132951|19.143642|36.858105| |2.332729|2.789979|2.805924|3.257804|4.060526|4.013828|3.230837|6.742532|0.132819|5.982011|6.865557|6.913550|0.207220|4.525033|11.621888|15.873310|73.516695| |1.984467|2.334597|2.465220|2.918369|3.393354|3.079124|2.549893|4.739111|0.090009|4.373496|5.870139|5.031400|0.128151|3.929978|10.647047|12.511592|14.149629|36.858105| |1.841932|2.148004|2.268774|2.670022|3.068948|2.792443|2.334310|4.298411|0.082331|3.948964|5.287572|4.735028|0.118970|3.982360|10.049263|8.876832|10.580458|17.529003|0.500000| |1.824559|2.098870|2.186380|2.503728|2.827267|2.646136|2.272354|3.992790|0.077953|3.433885|4.567258|3.809063|0.103865|3.087988|6.900386|7.438303|11.815268|12.423562|0.245962|36.858105| |1.751784|1.998807|2.118809|2.420923|2.638462|2.418330|2.111017|3.515513|0.067816|2.985475|4.160206|3.150651|0.084064|2.651783|5.444172|5.193903|8.377560|8.115612|0.186739|13.071689|53.358707| |1.828743|2.107841|2.289686|2.675589|2.876615|2.542280|2.197242|3.631838|0.068510|3.158619|4.608815|3.252399|0.083437|2.773647|5.670580|5.062833|7.711618|7.982459|0.193612|7.859871|17.917751|36.858105| |2.087414|2.474184|2.707188|3.284578|3.679260|3.157436|2.623282|4.589434|0.084398|4.226067|6.302865|4.321398|0.106365|3.496708|8.063489|7.438019|10.271450|12.181047|0.245616|7.782351|11.048769|12.392574|36.858105| |2.401895|2.893858|3.195700|3.914651|4.367018|3.687363|3.052204|5.166236|0.093223|4.615545|7.142380|4.253516|0.107091|3.319044|7.079912|6.588844|10.866055|7.447660|0.152729|6.122032|8.517940|7.531698|12.276575|36.858105| |2.550866|3.077041|3.585102|4.473163|4.529838|3.627782|3.086379|4.732808|0.084193|4.074879|6.831618|3.549693|0.088628|2.938335|5.471195|4.487398|7.540169|4.851819|0.113098|4.196448|6.222787|5.773629|7.382279|12.526302|36.858105| |2.617377|3.215225|3.901714|5.223040|5.162181|3.840889|3.193675|4.949384|0.086015|4.428998|8.132850|3.781792|0.090416|3.249331|5.742573|4.276265|6.832403|4.483825|0.111450|3.626196|5.182291|4.898208|6.530583|7.773531|12.700862|53.358707| |2.699224|3.283446|4.137182|5.471369|4.887599|3.644431|3.138069|4.524958|0.079153|3.869995|7.008287|3.275412|0.079578|2.907698|4.778071|3.507795|5.760046|3.625593|0.092279|3.061540|4.407670|4.032266|4.897636|5.715746|9.168366|25.724276|0.500000| |2.875228|3.662404|4.473749|6.484380|6.900352|4.721827|3.721967|6.062357|0.101576|5.705380|11.900549|4.555268|0.105361|3.826086|6.695365|4.753985|7.564231|4.602823|0.113995|3.596002|4.867279|4.373485|6.153547|7.347453|9.202376|25.378598|0.323615|0.500000| |2.205507|2.631395|3.070320|3.889095|3.981621|3.154112|2.655158|4.263010|0.076121|3.864101|6.556647|3.607277|0.085666|3.226671|5.806312|4.235529|6.399035|4.847875|0.128619|3.798282|5.583764|5.742605|7.389198|6.469991|7.728853|17.339280|0.254772|0.256235|36.858105| |2.101524|2.507976|2.809934|3.503769|3.870233|3.188451|2.627122|4.569330|0.082513|4.327868|6.862478|4.380274|0.102180|3.791530|7.941989|5.861428|8.035681|7.450075|0.202721|5.015066|7.004742|7.430307|12.345218|7.427510|6.496361|10.652784|0.159316|0.206081|12.526951|36.858105| |1.603489|1.797623|1.894659|2.118508|2.262023|2.102518|1.878806|3.013632|0.058793|2.482470|3.451336|2.586821|0.070158|2.234177|4.251148|3.846480|6.538476|5.167584|0.129244|7.536843|18.991681|7.834714|5.246370|4.616044|3.758870|4.281587|0.077262|0.081484|3.336861|3.861551|36.858105| |1.543568|1.718927|1.828339|2.035554|2.129700|1.962874|1.771198|2.766019|0.053701|2.264295|3.204711|2.318572|0.062302|2.039676|3.736264|3.243550|5.489405|4.201924|0.108566|5.293914|11.650294|7.071756|4.619628|4.152373|3.655144|4.191759|0.077124|0.077975|3.305721|3.633094|15.869200|73.516695| |1.518598|1.684739|1.743898|1.918005|2.060501|1.964251|1.774959|2.841558|0.056459|2.291541|3.103701|2.416992|0.067335|2.095474|3.877473|3.499579|6.220761|4.326232|0.109787|6.493561|10.561548|5.010100|4.002539|3.712376|3.054530|3.551028|0.065078|0.069399|2.698128|3.096119|12.560337|14.149588|36.858105| |1.394141|1.525050|1.576157|1.708787|1.804906|1.728641|1.589122|2.464816|0.049138|1.953793|2.663082|2.030175|0.056614|1.795246|3.161601|2.741692|4.913153|3.232153|0.084110|4.281116|6.855364|3.835435|3.127885|2.995490|2.612676|3.070506|0.057555|0.059673|2.318601|2.555882|7.509724|12.107581|12.470893|36.858105| |1.315978|1.427265|1.457112|1.562560|1.655528|1.611064|1.494195|2.308016|0.046579|1.803329|2.422728|1.884961|0.053347|1.679420|2.881085|2.466608|4.501414|2.783346|0.073171|3.578525|5.198099|3.024441|2.617168|2.540183|2.230008|2.666976|0.050368|0.052623|1.993890|2.192610|4.888055|7.844261|7.511065|12.411385|36.858105| |1.216986|1.306875|1.334085|1.417833|1.485084|1.446884|1.356651|2.051625|0.041415|1.589030|2.147541|1.644322|0.046391|1.484120|2.475046|2.072098|3.770638|2.301834|0.061119|2.813690|4.123491|2.538786|2.217779|2.175282|1.968725|2.377837|0.045509|0.046780|1.773603|1.909177|3.754964|6.492220|4.896225|7.509064|12.581903|36.858105| |1.129706|1.210180|1.237850|1.315241|1.373361|1.335156|1.253073|1.892239|0.038184|1.468395|1.988144|1.525861|0.042860|1.395030|2.294401|1.891309|3.394463|2.105525|0.056951|2.514144|3.688267|2.329833|2.032755|1.962097|1.794986|2.204239|0.042371|0.043341|1.663441|1.785479|3.296696|5.847306|4.050722|5.686807|7.542743|13.702401|36.858105| |1.060683|1.128504|1.153610|1.217950|1.262845|1.229486|1.162305|1.731270|0.034948|1.335271|1.813494|1.378028|0.038655|1.268965|2.050629|1.670195|2.999405|1.837330|0.049804|2.139176|3.129518|2.033013|1.795209|1.748281|1.626336|2.010598|0.038982|0.039520|1.511754|1.601179|2.725296|4.932383|3.175631|4.171082|5.008247|7.890143|13.753915|36.858105| |1.061586|1.123756|1.146359|1.202963|1.241640|1.212351|1.153468|1.697295|0.034281|1.299955|1.768335|1.329652|0.037361|1.221586|1.962212|1.597170|2.893402|1.737629|0.046678|2.008408|2.930455|1.919109|1.712525|1.697072|1.592204|1.958784|0.038165|0.038504|1.456364|1.527916|2.525159|4.582609|2.902475|3.747766|4.421139|6.815751|7.933794|13.750206|36.858105| |1.132441|1.199218|1.220817|1.279162|1.321487|1.293318|1.231989|1.808255|0.036537|1.380442|1.876355|1.404809|0.039602|1.279165|2.070019|1.700219|3.113387|1.841544|0.048849|2.149598|3.132193|2.029243|1.817330|1.827963|1.708500|2.076134|0.040383|0.040826|1.527493|1.602050|2.711925|4.870366|3.168017|4.150282|5.007344|7.889805|6.894697|7.960240|13.754345|36.858105| |1.217453|1.298487|1.321856|1.393181|1.449646|1.417933|1.341542|1.993934|0.040282|1.529041|2.071748|1.562440|0.044161|1.408636|2.321701|1.935241|3.562196|2.111975|0.055542|2.531245|3.692903|2.324313|2.065078|2.076646|1.907165|2.291357|0.044186|0.045079|1.684500|1.786764|3.273443|5.745433|4.035449|5.635470|7.541429|13.706558|7.977594|6.895114|7.934079|13.749629|36.858105| |17.552739|8.846623|6.716678|4.599374|3.980285|4.329914|5.896314|4.563727|0.087052|2.914528|4.211885|2.378601|0.064748|2.183185|2.937439|2.136037|4.009623|1.937411|0.049725|1.803101|2.379990|1.822240|2.056574|2.393255|2.575449|3.522942|0.074752|0.077494|2.167474|2.048235|1.612979|2.773914|1.527483|1.410917|1.330360|1.234928|1.143608|1.076193|1.081649|1.157367|1.242286|0.500000| |17.592246|8.835416|5.556328|4.148939|3.949891|4.755230|7.262737|5.081203|0.100362|3.072623|4.230407|2.519190|0.069703|2.343287|3.013493|2.156142|4.073046|1.912965|0.049410|1.771669|2.294558|1.738910|1.976787|2.254425|2.337872|3.229387|0.066947|0.072301|2.033497|1.972494|1.547949|2.635981|1.481154|1.361225|1.295020|1.197914|1.111559|1.044049|1.045674|1.116034|1.199494|0.301916|0.500000| |17.555637|8.848808|6.746765|4.609428|3.979155|4.328910|5.890469|4.566464|0.086902|2.914807|4.208927|2.386211|0.064222|2.267561|2.897898|2.049217|3.774383|1.852489|0.048261|1.698618|2.232077|1.722474|1.953612|2.208418|2.363150|3.364834|0.071623|0.074970|2.113300|1.997130|1.505359|2.590239|1.422541|1.311177|1.237655|1.149167|1.072424|1.009765|1.009423|1.072096|1.147856|0.302222|0.301893|0.500000| |7.073457|8.889314|17.710617|8.990880|5.677835|5.018085|5.648057|5.042215|0.089517|3.477823|5.594085|2.728914|0.070608|2.523397|3.419973|2.430483|4.384084|2.236855|0.057627|2.009852|2.692884|2.145748|2.478922|2.892839|3.324988|4.915690|0.110198|0.110084|2.884666|2.584269|1.791109|3.107194|1.646566|1.504043|1.389940|1.282387|1.193575|1.117888|1.113794|1.184271|1.275259|0.191883|0.141272|0.194053|0.500000| |4.095656|5.589671|8.951802|17.694490|8.806117|5.628812|4.887167|5.966031|0.099565|4.689956|9.014865|3.525245|0.085992|3.196395|4.547361|3.158082|5.444650|2.927634|0.075080|2.499350|3.363068|2.802557|3.417780|4.012317|4.898500|8.516678|0.198774|0.210136|4.489266|3.783071|2.162677|3.740225|1.928630|1.722980|1.561587|1.420651|1.322856|1.226225|1.208975|1.281467|1.392885|0.108423|0.095730|0.109054|0.217090|0.500000| |6.958290|8.895728|5.613985|4.888095|5.584115|8.846044|17.721562|9.001947|0.182605|4.609620|5.855490|3.561892|0.100499|3.196757|3.995224|2.808334|5.417767|2.364491|0.060456|2.142263|2.689267|2.023951|2.379239|2.723780|2.697492|3.734061|0.074504|0.086960|2.343805|2.355035|1.774303|2.964582|1.699879|1.529042|1.452746|1.322013|1.221186|1.134650|1.127850|1.205131|1.310225|0.151700|0.221151|0.151512|0.123885|0.106413|0.500000| |2.360359|2.864138|2.968628|3.573805|4.491979|4.177553|3.269369|6.946395|0.127915|6.866317|8.209280|8.784442|0.173398|17.561506|9.577045|4.706869|7.147643|3.855069|0.110661|2.982219|3.585907|2.840243|3.596751|3.349694|3.051093|4.796394|0.087845|0.116171|3.583059|4.159887|2.216849|3.642782|2.044509|1.759950|1.631740|1.449081|1.368237|1.247806|1.200202|1.252774|1.374828|0.060169|0.063511|0.063161|0.072449|0.095698|0.083581|0.500000| |2.522469|3.041301|2.972550|3.404506|4.372398|4.624231|3.662186|8.453597|0.171351|6.993784|7.158727|8.798788|0.212254|17.594645|7.683467|4.175288|6.964619|3.279340|0.090845|2.689109|3.191264|2.434301|2.993117|2.939556|2.669709|3.990893|0.074579|0.095453|2.843990|3.200624|2.013641|3.292554|1.907845|1.656665|1.563072|1.392496|1.309575|1.198070|1.158748|1.214182|1.330699|0.063215|0.069694|0.066905|0.071580|0.086785|0.097481|0.302028|0.500000| |2.110878|2.489231|2.489922|2.865871|3.538834|3.546859|2.886156|6.175346|0.125433|5.532990|6.044175|8.827854|0.214150|17.575642|9.674023|4.883096|7.594269|3.851507|0.112391|3.081763|3.559480|2.688139|3.294182|3.035149|2.657865|3.922011|0.071848|0.091237|2.940369|3.513811|2.216526|3.579580|2.103274|1.799763|1.695409|1.494967|1.411623|1.281223|1.227254|1.279927|1.409945|0.054252|0.058077|0.056000|0.061354|0.075750|0.076923|0.299496|0.301410|0.500000| |2.122288|2.546026|2.674241|3.238683|3.984691|3.605831|2.856347|5.926237|0.110584|6.128791|7.627986|9.053323|0.185387|7.578908|26.109512|9.331675|10.884348|7.410210|0.227832|4.749713|5.319157|4.221303|5.862413|4.724337|3.813793|5.678542|0.096894|0.132187|4.523325|6.484168|3.062761|4.851914|2.753890|2.261219|2.050158|1.771003|1.658709|1.484871|1.413500|1.479916|1.651895|0.055856|0.056968|0.055755|0.066146|0.088991|0.073190|0.214109|0.148024|0.203238|0.500000| |1.680668|1.912393|1.973709|2.232048|2.511155|2.388549|2.074056|3.630946|0.072112|3.075857|4.015662|3.517232|0.097708|2.952976|6.244973|6.174967|9.899928|8.779318|0.226322|17.588808|12.248571|6.000422|5.703863|4.568457|3.406244|4.171159|0.073516|0.085013|3.262621|4.223674|6.674854|8.529772|6.597469|4.343942|3.759809|2.909873|2.631862|2.213983|2.048338|2.169512|2.558395|0.045998|0.045635|0.043696|0.050626|0.061749|0.054932|0.078644|0.071614|0.084261|0.122853|0.500000| |1.911246|2.196647|2.258408|2.558017|2.907579|2.778653|2.398507|4.205376|0.082981|3.523973|4.600132|3.822301|0.107903|3.020743|6.553260|7.275919|13.890263|8.802710|0.176060|17.621724|12.270902|6.056865|6.384701|6.109165|4.152472|4.730746|0.082404|0.097065|3.446248|4.301087|6.517618|8.398423|6.334276|4.270951|3.684412|2.876632|2.512018|2.142026|2.038270|2.217079|2.635438|0.052657|0.051819|0.048957|0.057368|0.069786|0.063210|0.079515|0.074360|0.082846|0.119040|0.301986|0.500000| |1.700670|1.946440|2.113756|2.458083|2.625570|2.327349|2.022829|3.332038|0.063176|2.894586|4.205750|3.040156|0.077553|2.688310|5.286594|4.438087|6.639026|6.741569|0.192924|6.353856|12.342362|17.515077|8.743236|5.506449|4.655065|5.915043|0.102238|0.108724|5.516291|7.188559|6.615540|11.402128|4.493894|3.571198|2.853784|2.429314|2.281756|1.998081|1.865859|1.942414|2.200170|0.046877|0.044987|0.044897|0.055383|0.072019|0.051972|0.077510|0.065330|0.073417|0.114362|0.152684|0.135252|0.500000| |1.833693|2.099362|2.303627|2.670733|2.789380|2.450860|2.151174|3.413387|0.064212|2.905071|4.323792|2.888380|0.074499|2.490390|4.794884|4.148810|6.652649|5.690462|0.139661|5.812644|12.457508|17.625324|8.629972|7.145417|6.355545|6.878338|0.118969|0.119237|5.697765|6.192069|7.306240|13.787767|4.670106|3.808101|2.960285|2.539905|2.324573|2.049119|1.953499|2.074544|2.361945|0.051252|0.048142|0.048015|0.060703|0.078686|0.054859|0.071129|0.061817|0.066430|0.098086|0.129417|0.139271|0.303165|0.500000| |2.276261|2.679412|2.892747|3.387999|3.706135|3.290407|2.818893|4.607222|0.085659|3.901470|5.725084|3.679114|0.096908|2.913291|5.958258|5.738147|10.362836|6.592518|0.136062|6.620867|9.676451|7.338625|8.778695|17.593360|8.973664|7.667558|0.127190|0.146672|4.916230|5.477125|5.407010|8.416427|4.336841|3.445268|2.872690|2.427299|2.148794|1.900235|1.852626|2.020718|2.327574|0.063776|0.059888|0.057873|0.073644|0.094972|0.071236|0.080179|0.072857|0.075482|0.110071|0.133773|0.199539|0.144409|0.204502|0.500000| |2.662841|3.295656|3.582085|4.469473|5.369323|4.540589|3.594063|6.521618|0.114837|6.009951|9.152071|5.236558|0.131107|3.817252|8.414448|7.907301|13.935911|7.082217|0.145635|5.574577|6.898525|5.544618|8.714060|17.660663|9.040829|9.483289|0.147230|0.214955|5.518339|6.398567|3.885174|6.145928|3.334189|2.716476|2.376848|2.041689|1.842617|1.648388|1.605356|1.730556|1.959431|0.072832|0.069676|0.067123|0.087242|0.121367|0.088175|0.104621|0.093889|0.094509|0.144732|0.119913|0.163839|0.122830|0.142349|0.305899|0.500000| |2.289783|2.680222|3.095602|3.698855|3.639712|3.018976|2.651549|3.953136|0.071896|3.324904|5.366135|3.005102|0.076147|2.567141|4.647019|3.803128|6.382764|4.326927|0.104190|3.957821|6.309075|6.071379|6.503580|8.685502|17.621579|12.426959|0.219299|0.180505|7.223519|5.786199|3.974776|7.216183|3.134799|2.732451|2.289702|2.038435|1.863761|1.692526|1.657504|1.775546|1.976232|0.064823|0.058504|0.059564|0.082165|0.113831|0.065455|0.074248|0.065132|0.065728|0.092242|0.090582|0.106774|0.137044|0.210922|0.213112|0.174225|0.500000| |2.868934|3.487497|4.116700|5.050884|4.903364|3.943473|3.426151|4.925457|0.087295|4.045901|6.769996|3.382425|0.086073|2.797157|4.946468|4.014095|7.122801|4.065889|0.095657|3.652461|5.242833|4.471946|5.429175|8.828234|17.632386|12.361162|0.225926|0.218872|5.632735|4.872482|3.302916|5.705980|2.797789|2.441244|2.121482|1.890599|1.716153|1.565798|1.547708|1.670893|1.857194|0.081737|0.072197|0.072725|0.105917|0.150096|0.082168|0.079644|0.072190|0.069786|0.093839|0.084114|0.104564|0.103304|0.135355|0.210811|0.223373|0.300893|0.500000| |2.038950|2.380609|2.756452|3.357547|3.347042|2.740334|2.373504|3.679736|0.066917|3.214059|5.235516|3.041105|0.074408|2.744851|4.845533|3.661586|5.685329|4.339510|0.115696|3.644641|5.694997|6.072186|6.542162|5.796313|7.228894|12.415359|0.218280|0.180501|17.618134|8.694811|3.515756|6.445087|2.775105|2.419345|2.050156|1.835661|1.726542|1.572018|1.513959|1.584824|1.743585|0.056330|0.052323|0.054406|0.073449|0.106999|0.058861|0.083099|0.068202|0.070860|0.103894|0.087477|0.091510|0.165717|0.183784|0.131931|0.131121|0.225615|0.147427|0.500000| |2.183376|2.596819|3.054527|3.869455|3.886877|3.068079|2.599091|4.116075|0.073486|3.704211|6.313801|3.459901|0.081464|3.248138|5.368980|3.711514|5.647044|4.057414|0.112185|3.223244|4.615154|4.448967|5.428504|4.847441|5.626685|12.357292|0.225668|0.218542|17.627482|8.810451|2.842223|5.026357|2.365089|2.064938|1.803520|1.620254|1.532798|1.402763|1.351550|1.409398|1.541505|0.059092|0.055760|0.058923|0.080401|0.126908|0.063678|0.103473|0.080068|0.081888|0.119255|0.079436|0.081898|0.124520|0.121510|0.107780|0.123617|0.147499|0.126841|0.300922|0.500000| |2.231633|2.707210|3.017763|3.844485|4.458536|3.622150|2.891142|5.333232|0.094629|5.381654|8.625417|5.550705|0.121547|4.781593|10.379316|6.610341|8.702871|7.084191|0.196611|4.590880|5.901400|5.498154|8.799230|6.484174|5.618509|9.699956|0.149436|0.222364|9.080152|17.630726|3.337516|5.501011|2.805234|2.330269|2.045588|1.785947|1.671645|1.504496|1.439215|1.509079|1.677995|0.059558|0.058302|0.058912|0.075644|0.113183|0.071566|0.150963|0.108037|0.119169|0.249438|0.110319|0.113087|0.147457|0.130244|0.134378|0.178990|0.132298|0.126011|0.174498|0.221954|0.500000| |1.886857|2.210230|2.446404|2.963181|3.222926|2.741211|2.308109|3.950542|0.072918|3.631414|5.503339|3.837272|0.091408|3.500089|6.889417|4.994209|6.924936|6.616116|0.208865|4.738686|6.774762|7.125998|8.788237|5.461916|4.905775|7.685872|0.127226|0.147834|8.950688|17.571342|3.831387|6.499298|3.066615|2.547693|2.182954|1.906100|1.804628|1.616880|1.529580|1.588687|1.765837|0.051097|0.049510|0.050223|0.063311|0.088542|0.058301|0.107231|0.082202|0.093334|0.165377|0.116823|0.109244|0.229396|0.161010|0.123862|0.133190|0.130738|0.107797|0.211373|0.211474|0.303455|0.500000| |1.462482|1.622726|1.672704|1.841898|1.994490|1.910762|1.720537|2.798077|0.055939|2.266374|3.032106|2.447684|0.068478|2.143771|3.961558|3.541610|6.182062|4.390870|0.116258|6.583440|9.449702|4.648948|3.828228|3.409415|2.799157|3.356222|0.061442|0.066370|2.592095|3.036873|8.972221|11.102114|17.502622|8.817191|6.883023|4.554346|3.972450|3.093194|2.761473|2.933895|3.651781|0.040601|0.039763|0.038181|0.043762|0.051338|0.045952|0.057884|0.053948|0.060645|0.078962|0.216060|0.168159|0.121930|0.115114|0.106043|0.086886|0.078686|0.071019|0.073178|0.063922|0.077444|0.085287|0.500000| |1.607192|1.786493|1.833720|2.010306|2.178502|2.099350|1.896688|3.052522|0.060982|2.440707|3.267619|2.563500|0.072477|2.181639|4.073656|3.772867|7.014196|4.460950|0.108664|6.881194|9.702049|4.680449|4.028129|3.934189|3.158974|3.612960|0.066010|0.071497|2.669146|3.062164|8.923853|10.847285|17.519145|8.807752|6.865546|4.551191|3.655405|2.936491|2.761639|3.089962|3.964784|0.044950|0.043703|0.041525|0.047803|0.055543|0.050636|0.058442|0.055382|0.060529|0.078458|0.185228|0.216074|0.112396|0.121266|0.131925|0.100431|0.088024|0.081814|0.074997|0.064894|0.078442|0.082095|0.304669|0.500000| |1.429397|1.559074|1.616144|1.744780|1.825555|1.743830|1.612753|2.457857|0.048805|1.936502|2.664197|1.977008|0.054971|1.742670|3.046878|2.634286|4.767247|3.064124|0.078505|3.936390|6.439027|3.755695|3.076730|3.053905|2.718803|3.138404|0.059242|0.060499|2.333179|2.514766|6.875553|12.193461|8.866052|17.568101|8.827911|6.888265|5.103617|4.012080|3.811998|4.405875|5.997978|0.040442|0.038658|0.037276|0.043020|0.048960|0.043004|0.047594|0.044898|0.048076|0.060229|0.105914|0.111740|0.095071|0.108151|0.099386|0.076327|0.080064|0.071298|0.068214|0.057480|0.063450|0.068699|0.173414|0.210808|0.500000| |1.325447|1.447516|1.503715|1.632506|1.714385|1.632150|1.501072|2.320341|0.046123|1.847076|2.533785|1.923453|0.053187|1.724024|3.001048|2.553545|4.481913|3.044105|0.081301|3.881968|6.375364|3.746261|2.988841|2.791671|2.482414|2.969182|0.055936|0.057356|2.284011|2.503675|6.917673|12.609318|8.871471|17.584799|8.822577|6.871962|6.070981|4.431595|3.804818|3.979139|5.042177|0.037208|0.035868|0.034819|0.040033|0.046045|0.040042|0.047317|0.044143|0.048154|0.060497|0.110887|0.103204|0.100811|0.103937|0.086926|0.069920|0.072954|0.063886|0.066929|0.056864|0.062981|0.070620|0.210804|0.173417|0.305324|0.500000| |1.278123|1.388008|1.413920|1.519602|1.619489|1.579851|1.460147|2.282435|0.046241|1.789371|2.386337|1.897564|0.053851|1.702506|2.912254|2.478456|4.481021|2.797751|0.074937|3.589510|5.045683|2.938349|2.564931|2.434755|2.123493|2.580157|0.048604|0.051234|1.949180|2.170151|4.568631|7.191267|6.906500|8.840021|17.523458|8.913014|7.128075|4.724024|3.978521|4.222097|5.685540|0.035705|0.035016|0.033469|0.037378|0.042141|0.039523|0.045840|0.043900|0.048192|0.057895|0.109423|0.100603|0.078505|0.078094|0.075094|0.063794|0.060082|0.055813|0.055304|0.049279|0.056600|0.060651|0.208049|0.171227|0.173500|0.211164|0.500000| |1.371650|1.486703|1.507353|1.610193|1.713761|1.682113|1.563780|2.415472|0.048998|1.872217|2.496627|1.950938|0.055769|1.721924|2.957142|2.555336|4.773579|2.816455|0.072795|3.637869|5.082485|2.944955|2.622235|2.605798|2.267800|2.690796|0.050758|0.053480|1.980595|2.178828|4.560095|7.112572|6.915738|8.834489|17.524446|8.914790|5.667957|4.215428|3.979032|4.734655|7.165158|0.038563|0.037628|0.035660|0.039803|0.044373|0.042403|0.046127|0.044680|0.048155|0.057710|0.104784|0.108686|0.075734|0.079881|0.082806|0.068632|0.063916|0.060609|0.056048|0.049703|0.056982|0.059452|0.172078|0.207711|0.210845|0.173415|0.303929|0.500000| 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|1.008408|1.071395|1.096109|1.156897|1.197782|1.165219|1.102186|1.640544|0.033116|1.266184|1.720757|1.309531|0.036652|1.214903|1.945829|1.571044|2.803270|1.726763|0.047231|1.984267|2.894562|1.905932|1.687977|1.631966|1.525905|1.904921|0.037026|0.037465|1.440527|1.523041|2.484763|4.522822|2.827432|3.560518|4.088881|5.628369|8.925746|17.713816|8.912664|5.653286|4.963224|0.028373|0.027570|0.026751|0.029551|0.032412|0.029894|0.033266|0.031885|0.034156|0.039344|0.057294|0.054699|0.052611|0.053227|0.048791|0.042807|0.044109|0.040732|0.041623|0.037341|0.039820|0.042980|0.077886|0.072310|0.094274|0.107537|0.112071|0.097088|0.216066|0.500000| 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