Version2.1 2021-01-14T08:00:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 06-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cnc1)[C@H](CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCC4)[NH+]5CCCC5 C39594551 RHF 6-31G(d) (6D,7F) c1cc(cnc1)[C@H](CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCC4)[NH+]5CCCC5 C01[X(C25H39N5O2)] 207 C1 558 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCC1)NC[C@H]([NH+]1CCCC1)c1cccnc1 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCC1)NC[C@H]([NH+]1CCCC1)c1cccnc1 O=C(NC[C@H]([NH+]1CCCC1)c2cccnc2)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)C5CCC5 InChIKey=BAYXOUSGAMYVFC-YADHBBJMSA-P InChI=1S/C25H37N5O2/c31-23(28-16-22(29-13-1-2-14-29)20-7-4-10-27-15-20)21-17-30(24(32)19-5-3-6-19)18-25(21)8-11-26-12-9-25/h4,7,10,15,19,21-22,26H,1-3,5-6,8-9,11-14,16-18H2,(H,28,31)/p+2/t21-,22+/m1/s1 InChI=1/C25H37N5O2/c31-23(28-16-22(29-13-1-2-14-29)20-7-4-10-27-15-20)21-17-30(24(32)19-5-3-6-19)18-25(21)8-11-26-12-9-25/h4,7,10,15,19,21-22,26H,1-3,5-6,8-9,11-14,16-18H2,(H,28,31)/p+2/t21-,22+/m1/s1/fC25H39N5O2/h26,28-29H/q+2 c1cc(cnc1)[C@H](CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCC4)[NH+]5CCCC5 C01[X(C25H39N5O2)] 207 C01 558 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)C1CCC1)NC[C@H]([NH+]1CCCC1)c1cccnc1 O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)C1CCC1)NC[C@@H]([C]1[CH][CH][CH][N][CH]1)[NH]1CCCC1 O=C(NC[C@@H]([C]1[CH][CH][CH][N][CH]1)[NH]2CCCC2)[C@H]3CN(CC34CC[NH2]CC4)C(=O)C5CCC5 InChIKey=LUMFPXPJXSVWRP-YADHBBJMSA-N InChI=1S/C25H39N5O2/c31-23(28-16-22(29-13-1-2-14-29)20-7-4-10-27-15-20)21-17-30(24(32)19-5-3-6-19)18-25(21)8-11-26-12-9-25/h4,7,10,15,19,21-22,29H,1-3,5-6,8-9,11-14,16-18,26H2,(H,28,31)/t21-,22+/m1/s1 InChI=1/C25H39N5O2/c31-23(28-16-22(29-13-1-2-14-29)20-7-4-10-27-15-20)21-17-30(24(32)19-5-3-6-19)18-25(21)8-11-26-12-9-25/h4,7,10,15,19,21-22,29H,1-3,5-6,8-9,11-14,16-18,26H2,(H,28,31)/t21-,22+/m1/s1/f/h28H 3436.0676427970 -1390.9213872 1-A 17204.3625 119 439 558 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.74108 -20.67854 -15.92907 -15.90968 -15.80343 -15.75630 -15.75061 -11.56343 -11.51905 -11.51818 -11.51779 -11.50065 -11.49960 -11.49613 -11.49494 -11.46862 -11.46638 -11.46584 -11.45900 -11.45698 -11.45443 -11.45259 -11.45114 -11.44939 -11.44203 -11.43707 -11.43646 -11.42405 -11.38377 -11.37120 -11.35292 -11.35162 -1.61116 -1.56401 -1.55341 -1.55082 -1.45841 -1.45310 -1.44091 -1.33254 -1.32753 -1.28363 -1.28223 -1.28043 -1.25883 -1.24144 -1.23461 -1.20183 -1.18418 -1.12623 -1.12027 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6.3910 2.9966 6.5357 6.4979 11.3458 2.8000 4.0203 11.9738 20.5434 31.7001 11.8492 43.6178 2.7179 67.2270 53.0573 20.0663 0.0822 5.7348 5.2000 8.6026 75.5000 49.0370 1.4746 0.6444 22.5278 24.9017 36.0710 2.2545 8.3120 47.7555 13.2611 58.9680 108.6190 5.4787 7.2974 10.1954 4.8253 0.4360 1.3968 3.2244 2.2509 18.3717 6.5565 2.2075 20.6302 29.4511 30.8588 38.4206 14.2229 292.4402 64.0108 83.4937 49.4135 1.0850 1.6002 4.1481 4.4749 7.3634 8.3005 13.6667 12.1829 2.3575 17.3124 16.1280 2.8462 5.1192 25.1241 5.8034 329.6660 11.8516 47.6476 102.6439 139.5107 316.0590 12.4966 21.3439 25.4265 32.8441 10.1416 11.7339 34.5521 41.7315 30.7809 11.6467 12.7123 42.1792 13.7981 31.5074 4.4631 4.0318 1.0585 4.7476 6.2476 24.8698 1.4852 1.2271 19.4939 4.5692 29.1453 0.8383 24.1896 10.2145 2.7708 2.1089 4.1524 5.7950 3.1982 3.5008 3.8539 91.3091 35.4041 83.3778 55.8523 0.3162 0.2681 0.6030 0.1819 0.3498 0.9193 1.1539 1.2290 5.2788 1.8133 1.2097 0.1408 0.1053 0.1899 0.2334 0.4890 0.2723 0.1749 0.7790 2.3403 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4.0263 6.7005 3.0932 6.4493 26.7486 5.7864 2.9429 9.7262 31.3022 68.4583 25.7881 41.2465 55.1574 82.0168 79.5714 85.3467 118.7705 69.8295 77.4973 77.3734 30.2180 67.1850 81.9447 23.9458 62.0083 75.6592 81.2799 92.3924 16.2172 103.9107 50.0196 89.1563 45.6212 50.1886 67.3359 42.0546 58.0154 50.1095 41.6223 43.3535 35.7853 72.4028 164.1214 77.1887 17.9165 51.7165 27.2839 0.7127 0.7353 0.7497 0.6660 0.7492 0.7472 0.7370 0.7335 0.7380 0.7386 0.7484 0.6617 0.7163 0.6908 0.3396 0.4153 0.7248 0.6078 0.4617 0.0757 0.7452 0.2438 0.5222 0.1504 0.7369 0.3543 0.6083 0.2247 0.2528 0.3817 0.6688 0.7481 0.7417 0.5345 0.4572 0.7368 0.4545 0.2284 0.1635 0.3964 0.7441 0.0642 0.4333 0.6185 0.7018 0.2806 0.5296 0.4863 0.7411 0.3848 0.6832 0.5424 0.2566 0.0611 0.0124 0.2433 0.2312 0.6456 0.7336 0.0911 0.7238 0.1445 0.7134 0.7483 0.1721 0.0292 0.3456 0.4583 0.1122 0.7489 0.5885 0.7375 0.5141 0.7379 0.7420 0.0662 0.3853 0.6854 0.5275 0.4072 0.5047 0.2049 0.4144 0.2791 0.0586 0.1543 0.1780 0.6745 0.6622 0.2567 0.2505 0.5841 0.3343 0.1168 0.5623 0.6290 0.3763 0.7377 0.4969 0.6959 0.1028 0.5488 0.7187 0.6190 0.1641 0.4899 0.7327 0.7336 0.7423 0.7396 0.7171 0.6911 0.7295 0.7495 0.5903 0.7493 0.6613 0.6834 0.5221 0.5759 0.3775 0.7238 0.6968 0.7304 0.7353 0.7306 0.5597 0.6907 0.7202 0.7145 0.6904 0.5754 0.6638 0.7150 0.5725 0.7499 0.6387 0.5855 0.7499 0.4542 0.7032 0.7407 0.6997 0.6333 0.7402 0.7109 0.3461 0.7012 0.7333 0.7175 0.7486 0.7162 0.7454 0.7475 0.6596 0.7036 0.6100 0.7389 0.7484 0.7461 0.7152 0.7468 0.4510 0.7029 0.5425 0.7015 0.3116 0.2485 0.2386 0.1772 0.4407 0.2837 0.4638 0.1789 0.2120 0.0911 0.0933 0.0790 0.1822 0.6243 0.0907 0.2876 0.1620 0.2591 0.3533 0.0617 0.1461 0.5831 0.5701 0.1854 0.2099 0.7016 0.6719 0.3195 0.1230 0.6435 0.7217 0.7444 0.7288 0.3572 0.5374 0.6563 0.1553 0.1246 0.2327 0.6764 0.1782 0.8322 0.8475 0.8569 0.7995 0.8566 0.8553 0.8486 0.8462 0.8492 0.8496 0.8561 0.7964 0.8347 0.8171 0.5070 0.5869 0.8405 0.7560 0.6318 0.1407 0.8540 0.3920 0.6861 0.2615 0.8485 0.5233 0.7565 0.3670 0.4036 0.5525 0.8016 0.8559 0.8517 0.6966 0.6275 0.8484 0.6249 0.3719 0.2810 0.5677 0.8533 0.1206 0.6046 0.7643 0.8248 0.4382 0.6925 0.6544 0.8513 0.5557 0.8118 0.7033 0.4084 0.1151 0.0246 0.3914 0.3756 0.7847 0.8463 0.1669 0.8398 0.2526 0.8328 0.8560 0.2937 0.0568 0.5137 0.6286 0.2018 0.8564 0.7410 0.8489 0.6791 0.8492 0.8519 0.1242 0.5563 0.8133 0.6907 0.5787 0.6708 0.3401 0.5860 0.4364 0.1106 0.2674 0.3022 0.8056 0.7968 0.4086 0.4007 0.7375 0.5011 0.2092 0.7199 0.7723 0.5468 0.8490 0.6639 0.8207 0.1864 0.7087 0.8363 0.7646 0.2820 0.6576 0.8457 0.8463 0.8521 0.8503 0.8353 0.8174 0.8436 0.8568 0.7424 0.8567 0.7961 0.8119 0.6860 0.7309 0.5481 0.8398 0.8213 0.8442 0.8475 0.8443 0.7177 0.8171 0.8373 0.8335 0.8169 0.7304 0.7979 0.8338 0.7281 0.8571 0.7795 0.7386 0.8571 0.6246 0.8257 0.8510 0.8233 0.7755 0.8507 0.8310 0.5142 0.8244 0.8461 0.8355 0.8563 0.8346 0.8542 0.8555 0.7949 0.8260 0.7577 0.8498 0.8561 0.8546 0.8340 0.8551 0.6216 0.8256 0.7034 0.8246 0.4751 0.3981 0.3852 0.3010 0.6118 0.4420 0.6337 0.3036 0.3498 0.1670 0.1707 0.1464 0.3083 0.7687 0.1664 0.4468 0.2788 0.4115 0.5221 0.1162 0.2550 0.7367 0.7262 0.3128 0.3469 0.8246 0.8038 0.4843 0.2191 0.7831 0.8384 0.8535 0.8432 0.5264 0.6991 0.7925 0.2688 0.2216 0.3776 0.8069 0.3024 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 61 62 63 64 65 66 67 68 69 70 71 6 6 6 6 7 6 6 1 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 7 1 6 6 6 6 1 1 1 1 1 1 1 1 1 1 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 14.00307 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 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 11120.6149 21723.1639 27927.9870 0.99990 -0.00764 0.01210 0.00762 0.99997 0.00245 -0.01211 -0.00236 0.99992 1 0.00779 0.00399 0.00310 0.16229 0.08308 0.06462 10.15 17.35 25.75 39.49 54.64 58.76 66.80 69.04 85.64 117.67 125.51 132.54 161.82 176.55 187.31 221.35 235.12 254.95 286.50 318.10 338.80 349.79 372.38 380.35 408.88 415.31 443.78 454.05 485.02 510.62 529.03 548.19 602.99 634.52 653.86 654.75 679.37 699.25 716.65 768.99 800.04 828.01 834.88 918.47 934.47 960.52 986.40 999.53 1043.11 1097.02 1102.37 1136.12 1162.75 1203.88 1218.71 1222.19 1251.60 1253.44 1255.00 1265.84 1284.79 1295.41 1325.66 1352.60 1354.13 1356.65 1366.44 1380.99 1408.52 1422.30 1450.94 1460.35 1460.68 1490.09 1506.48 1515.60 1519.58 1530.53 1535.11 1556.41 1564.25 1571.31 1580.61 1599.73 1603.15 1618.22 1627.50 1641.34 1641.78 1649.94 1651.56 1656.30 1673.01 1683.00 1696.09 1712.15 1733.49 1736.69 1766.09 1782.49 1789.74 1818.71 1856.26 1895.64 1902.80 1914.28 1916.11 1921.51 1928.72 1940.55 1941.23 1945.67 1954.13 1958.10 1972.95 1984.76 1990.08 2007.33 2020.27 2036.52 2038.84 2048.13 2053.29 2090.87 2096.93 2102.15 2106.31 2114.16 2118.52 2145.24 2149.11 2165.13 2177.41 2182.74 2191.63 2212.19 2215.70 2226.34 2229.70 2239.35 2248.29 2259.83 2263.08 2267.11 2282.99 2296.29 2302.78 2342.27 2345.15 2352.35 2356.87 2358.59 2360.52 2366.41 2367.37 2373.95 2385.02 2386.07 2397.71 2407.39 2418.69 2439.12 2448.53 2562.60 2599.42 2630.77 2780.11 2800.36 4597.86 4617.03 4643.19 4647.25 4659.35 4663.71 4668.00 4671.14 4691.22 4694.07 4699.17 4701.08 4705.06 4719.98 4721.50 4722.21 4726.96 4735.21 4738.47 4752.24 4760.44 4764.94 4777.43 4777.88 4784.64 4793.28 4794.96 4805.32 4806.94 4820.01 4827.73 4838.79 4848.33 4887.12 4911.07 5267.22 5318.98 5355.35 5589.87 0.685665 0.714258 0.715202 0.620222 -1390.235722 -1390.207129 -1390.206185 -1390.301166 3.185678D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE c1cc(cnc1)[C@H](CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCC4)[NH+]5CCCC5 C39594551 RHF 6-31G(d) (6D,10F) C1 441.310376 |X|Y|Z| 103.446545 70.518215 39.117484 65.835894 30 6 7 25 5 |36.858105| |13.798602|36.858105| |7.963248|13.690855|36.858105| |7.052500|8.027685|13.706555|36.858105| |8.002134|6.893506|7.973395|14.472140|53.358707| |13.723528|8.016184|7.006460|8.415672|19.641411|36.858105| |5.027828|7.534976|12.586748|7.502090|6.879286|4.501498|36.858105| |4.790284|7.323620|8.920410|5.583286|5.733296|4.030899|17.637379|0.500000| |3.962389|5.181231|7.450051|6.142210|5.959662|3.782659|12.346617|0.247219|36.858105| |3.965145|5.016633|6.280043|5.283835|5.599751|3.721257|7.708945|0.196437|13.197825|53.358707| |3.519858|4.398016|4.889208|4.019826|4.533975|3.179950|5.986025|0.181112|7.822324|19.135989|36.858105| |3.256302|4.127080|4.505664|3.616016|4.085337|2.895235|5.948938|0.199942|6.996193|11.644796|15.826115|73.516695| |3.209403|3.738762|3.880571|3.382678|4.060165|2.927483|4.211893|0.124520|5.018128|10.646378|12.479528|14.031660|36.858105| |3.079395|3.478029|3.699029|3.390627|4.116729|2.912374|3.896731|0.109328|4.828044|10.266950|8.936637|10.552551|17.562749|0.500000| |3.671349|4.178261|3.971488|3.404882|4.239811|3.215421|3.981665|0.120389|4.224170|8.046912|7.604387|10.507737|12.278467|0.242798|36.858105| |3.152637|3.568732|3.322274|2.834413|3.558706|2.729762|3.432092|0.107731|3.516442|6.082919|5.928023|9.768570|8.058382|0.163248|13.137591|53.358707| |2.676820|3.061365|2.980568|2.568675|3.176241|2.374480|3.243971|0.102008|3.451343|5.850084|6.061242|10.911133|7.939692|0.158431|7.870787|17.881387|36.858105| |2.606202|2.968170|3.022822|2.674220|3.275516|2.384537|3.321996|0.100073|3.811138|6.864404|7.331458|11.548757|12.245910|0.241313|7.819611|11.049570|12.382520|36.858105| |2.299350|2.629488|2.759807|2.469849|2.991398|2.137115|3.154370|0.094088|3.730256|6.256859|6.325870|11.288216|7.306972|0.173710|4.962041|6.954535|7.395690|12.380539|36.858105| |1.971423|2.207112|2.276311|2.065811|2.551190|1.839644|2.547159|0.075810|2.888677|4.576344|4.236901|7.805010|4.815057|0.121104|3.837541|5.737306|6.014588|7.473056|12.495671|36.858105| |1.856364|2.033274|2.080101|1.924266|2.417961|1.750586|2.257042|0.066023|2.544670|4.065227|3.594594|6.246372|4.350358|0.116459|3.625647|5.312193|5.094209|6.427064|7.661159|12.648592|53.358707| |1.702628|1.851563|1.884075|1.750071|2.213595|1.608063|2.034630|0.059510|2.258362|3.523404|3.049006|5.392113|3.561000|0.095418|3.102163|4.608327|4.285694|4.903255|5.663666|9.167302|25.661176|0.500000| |1.820250|1.985919|2.056703|1.927322|2.421546|1.736914|2.228245|0.064192|2.556272|4.081015|3.509131|5.964010|4.203945|0.118352|3.418259|4.762067|4.327364|5.720822|6.990437|9.192075|25.667362|0.328679|0.500000| |1.990479|2.158882|2.167242|2.000776|2.542124|1.864893|2.296047|0.067366|2.547904|4.176344|3.708247|6.220464|4.880960|0.130048|4.329573|6.502062|6.018901|7.403912|6.479511|7.592115|17.220839|0.254903|0.255217|36.858105| |2.333738|2.554535|2.576242|2.363412|2.979315|2.179427|2.716717|0.079449|3.075646|5.346179|4.899215|7.643097|7.592987|0.204078|6.235800|8.548535|7.502566|12.298583|7.626934|6.519427|10.443307|0.157515|0.193650|12.495690|36.858105| |3.029903|3.312381|2.965765|2.555471|3.292505|2.591763|2.974797|0.093136|2.923572|4.759222|4.257242|7.343509|5.133130|0.116872|7.543377|18.914981|7.809924|5.266583|3.844934|3.449143|4.473014|0.082617|0.081808|4.001514|4.692819|36.858105| |2.609145|2.841119|2.579029|2.242369|2.890904|2.259571|2.633767|0.082566|2.586666|4.076261|3.622206|6.534379|4.186602|0.097529|5.305834|11.659748|7.078377|4.648999|3.634065|3.454894|4.460216|0.084532|0.079961|3.926182|4.222995|15.882368|73.516695| |3.386966|3.518940|3.022312|2.643279|3.513790|2.859906|2.871593|0.087798|2.754572|4.416154|3.675282|6.147295|4.288215|0.104296|6.455802|10.514869|4.999546|4.019517|3.080958|2.767335|3.681465|0.068811|0.069414|3.242057|3.799215|12.613499|14.217742|36.858105| |3.045840|3.072982|2.616637|2.318829|3.133731|2.581971|2.475889|0.075370|2.329019|3.574770|2.895760|5.002980|3.203363|0.080025|4.260372|6.749715|3.775550|3.095647|2.525726|2.346160|3.127680|0.059863|0.059125|2.680556|2.969004|7.297545|11.636236|12.346954|36.858105| |2.872158|2.794182|2.419948|2.213595|3.055620|2.519993|2.250996|0.066684|2.157540|3.330657|2.632325|4.429363|2.978486|0.077272|3.904672|5.716124|3.272285|2.850842|2.331063|2.175853|2.984555|0.057242|0.057166|2.590432|2.872558|5.477209|8.593929|8.817453|12.346187|36.858105| |2.940123|2.937158|2.598990|2.369596|3.219671|2.601468|2.446230|0.072435|2.408004|3.853571|3.111764|5.100554|3.738953|0.096651|5.219763|7.639660|4.089982|3.574690|2.782029|2.560156|3.559635|0.067116|0.067881|3.214208|3.701994|7.302376|10.239756|12.224203|8.829691|12.345454|36.858105| |4.092483|5.442843|7.633902|6.009026|5.921682|3.833866|12.540532|0.255047|7.610984|6.846436|4.251508|7.950160|3.218448|0.084265|3.039709|3.739882|2.670466|2.713177|2.678529|2.242440|2.707068|0.050553|0.054723|1.988025|2.277057|2.459837|3.992301|2.379468|2.125733|1.940996|2.064841|53.358707| |3.904229|4.879923|7.040453|6.548209|6.334038|3.881094|9.239463|0.182344|7.098879|6.404877|3.835546|6.888584|2.992614|0.080543|2.808067|3.413718|2.435329|2.521269|2.499206|2.105543|2.575359|0.048175|0.052557|1.888398|2.159712|2.251003|3.653738|2.200650|1.971915|1.830145|1.946834|25.711867|0.500000| |3.142402|3.959389|4.904466|4.131214|4.422569|2.946910|7.424099|0.194575|6.318916|6.021021|4.029295|8.070191|3.047639|0.079112|2.788046|3.547539|2.640806|2.686112|2.770789|2.342928|2.770858|0.051995|0.055947|1.987758|2.233588|2.327220|3.861028|2.191003|1.970298|1.789950|1.908545|17.038459|0.256601|36.858105| |2.816008|3.401293|3.921904|3.428937|3.877281|2.645550|5.045907|0.138687|4.229129|4.479815|3.095786|6.138512|2.486092|0.064802|2.346248|3.057447|2.266339|2.255100|2.317022|2.028273|2.426194|0.046169|0.048797|1.743046|1.919544|2.066359|3.484288|1.967001|1.814927|1.647377|1.723591|10.598993|0.183758|12.362370|36.858105| |3.179160|3.786932|4.322085|3.839807|4.392505|3.004313|5.046703|0.133376|3.931016|4.232806|2.857911|5.457586|2.346495|0.061668|2.280835|2.940214|2.119447|2.095799|2.095380|1.839712|2.241388|0.042700|0.045103|1.636576|1.811676|2.017083|3.373730|1.968897|1.834485|1.673486|1.729418|10.943247|0.200856|7.792402|12.415248|36.858105| |4.225161|5.425034|6.412524|5.166054|5.609251|3.848969|7.453646|0.191206|4.897223|5.166072|3.405700|6.411755|2.736984|0.071304|2.705806|3.420945|2.407329|2.368880|2.308575|1.987684|2.423870|0.045772|0.048631|1.795150|2.024636|2.330962|3.824227|2.297314|2.111104|1.914042|1.986403|17.159314|0.260153|7.908034|7.940739|12.540780|36.858105| |17.747740|8.884693|5.642266|5.048094|7.761376|8.892389|4.080258|0.113184|3.326682|4.626530|3.155652|5.267868|2.973017|0.078631|3.503573|4.229920|2.603512|2.478845|2.171874|1.891117|2.439650|0.045940|0.048522|1.937935|2.247753|3.103662|4.768600|3.602905|3.354612|3.160068|3.118987|4.687620|0.090562|2.768477|2.542093|2.847947|3.645955|0.500000| |8.924681|17.695608|8.863740|5.666706|6.752413|5.670834|6.946583|0.223513|4.822329|6.506794|4.550060|7.956958|3.857671|0.095917|4.430321|5.396286|3.365423|3.130135|2.752514|2.318236|2.873391|0.053481|0.056583|2.246668|2.642133|3.739109|5.700739|3.917656|3.430131|2.988102|3.118375|6.998077|0.121961|3.974728|3.457720|3.753929|5.290735|0.213532|0.500000| |5.041836|5.657123|8.837979|17.663078|12.820201|5.928750|6.871721|0.139110|6.482790|7.093986|3.868548|6.201591|3.229515|0.091727|3.112139|3.555148|2.430092|2.584845|2.447052|2.046863|2.593749|0.048155|0.053520|1.954469|2.295250|2.335207|3.686189|2.372739|2.087894|2.004225|2.157251|8.263111|0.204680|4.293589|3.502573|3.839216|4.863998|0.109105|0.123603|0.500000| |8.879553|5.670282|5.022801|5.918047|12.722323|17.731426|3.590808|0.091418|3.140291|4.263995|2.743594|4.465487|2.598577|0.072461|2.866856|3.366157|2.156622|2.162487|1.941967|1.695809|2.220631|0.041872|0.045027|1.743586|2.016490|2.389553|3.736046|2.675477|2.467377|2.462745|2.499492|4.321561|0.089890|2.537726|2.326595|2.630586|3.231178|0.213358|0.124147|0.130420|0.500000| |3.306054|4.193448|5.474148|4.652346|4.822688|3.141066|8.791075|0.213668|17.657323|12.633164|7.328973|13.474949|4.695006|0.123278|3.819417|4.546441|3.441751|3.817167|3.981127|3.075144|3.588866|0.065120|0.073602|2.566848|3.032563|2.780786|4.473004|2.557355|2.186940|2.013119|2.239954|9.659050|0.179172|7.332589|4.604004|3.958004|4.614613|0.079648|0.113794|0.137891|0.074446|0.500000| |3.781458|4.647219|6.793772|6.725401|6.414213|3.836351|8.753372|0.173784|17.607399|12.618332|5.806477|9.071967|4.263602|0.120949|3.655417|4.137513|2.968245|3.318061|3.271855|2.602676|3.196182|0.058277|0.066465|2.347149|2.805236|2.580595|4.083923|2.482001|2.125795|2.007322|2.226758|9.243862|0.205530|5.541194|3.917098|3.751737|4.520983|0.087579|0.114978|0.227737|0.089179|0.302824|0.500000| |4.032248|4.809983|5.898773|5.475421|6.010362|3.934962|6.175087|0.152729|9.029096|26.068256|9.309119|10.872211|7.432955|0.232446|5.903649|5.774419|3.946271|4.721420|4.171871|3.136697|3.943401|0.069809|0.081885|3.034344|3.943808|3.369636|5.082009|3.227544|2.600680|2.486330|2.903857|5.874334|0.117220|3.731369|2.897719|2.810618|3.396093|0.095632|0.122246|0.150863|0.092682|0.184660|0.231378|0.500000| |3.482595|3.746473|3.551463|3.192731|4.113624|3.140681|3.426570|0.099913|3.649156|6.709900|5.660451|8.013980|8.733240|0.225765|17.572971|12.289753|6.070206|6.412956|4.289036|3.485015|4.741721|0.083475|0.092687|4.314353|6.258805|6.618348|8.510876|6.455949|4.256402|4.206259|6.017177|3.666551|0.070577|2.461137|2.104345|2.068914|2.427298|0.093577|0.106648|0.081468|0.079567|0.091406|0.091666|0.147052|0.500000| |4.622366|5.446339|4.938472|4.046745|4.996960|3.869783|4.721775|0.144055|4.716723|8.838290|7.536992|10.563212|8.693584|0.191657|17.582330|12.268533|5.975973|5.705030|4.147988|3.272170|4.148015|0.074038|0.080766|3.484436|4.629271|6.592958|8.447951|6.417374|4.358523|3.922025|4.916606|4.692270|0.087524|3.042579|2.546856|2.520957|3.083572|0.120597|0.161975|0.098967|0.093265|0.113399|0.111682|0.178442|0.303495|0.500000| |2.374141|2.651260|2.563059|2.250327|2.827115|2.124355|2.748754|0.085255|2.890389|4.716846|4.528879|8.230113|5.678251|0.126503|5.844992|12.507009|17.651991|8.605432|6.229737|6.088018|7.431764|0.132376|0.122585|6.784751|7.069152|7.414956|14.134142|4.731256|3.746791|3.264782|4.049657|3.174633|0.059596|2.325211|2.040563|1.914326|2.140242|0.065046|0.080539|0.059402|0.054349|0.080585|0.070687|0.090374|0.140308|0.129513|0.500000| |2.695295|3.158191|3.092850|2.610904|3.181079|2.368513|3.490719|0.113568|3.647589|5.935502|6.270194|13.073457|6.712795|0.136525|6.344230|12.334260|17.593342|8.768151|7.069524|5.744612|6.094667|0.107833|0.107424|4.769357|5.499519|6.491788|11.171262|4.419046|3.518763|2.976921|3.530429|3.942527|0.072074|2.927567|2.503803|2.302865|2.609758|0.072465|0.098480|0.068695|0.059299|0.103718|0.085228|0.106625|0.135224|0.151346|0.303106|0.500000| |2.369064|2.765866|2.930856|2.572007|3.066226|2.182953|3.483026|0.106234|4.110150|6.614630|6.900153|14.396715|6.564447|0.150311|4.651962|6.593304|6.864125|8.774064|17.647853|9.006911|7.619826|0.127065|0.143439|4.862135|5.519047|3.716487|6.303789|2.986179|2.482555|2.249683|2.626130|4.049285|0.075851|3.164694|2.609137|2.309224|2.537165|0.061831|0.081368|0.070861|0.054651|0.127169|0.097206|0.116271|0.108223|0.113838|0.156452|0.215194|0.500000| |2.246196|2.549441|2.736640|2.505381|3.026855|2.128125|3.120983|0.090085|3.848923|6.473355|6.043524|10.034847|6.782251|0.184332|4.480659|5.812345|5.440057|8.791016|17.494156|8.898214|9.410827|0.144202|0.205313|5.702856|6.849358|3.306804|5.485432|2.776183|2.296409|2.162750|2.566768|3.629914|0.070355|2.753267|2.283963|2.067033|2.265329|0.058387|0.072521|0.070162|0.053795|0.114578|0.096328|0.122966|0.111926|0.106537|0.131083|0.143576|0.303623|0.500000| |1.954659|2.188212|2.218863|1.993596|2.473508|1.803721|2.472723|0.074833|2.717897|4.243219|3.942257|7.515811|4.412887|0.107472|3.763656|6.005273|6.591614|6.713191|8.745285|17.626622|12.426950|0.224801|0.181032|6.936947|5.748755|3.720315|6.910910|2.899394|2.484594|2.263519|2.642994|2.977417|0.056558|2.287660|2.007409|1.824486|1.970354|0.052579|0.064770|0.054341|0.046261|0.079958|0.067535|0.080285|0.093997|0.089787|0.203725|0.181193|0.213309|0.173063|0.500000| |1.831225|2.046457|2.133447|1.953004|2.407874|1.723206|2.406933|0.070963|2.741386|4.200215|3.742408|7.012062|3.997491|0.103653|3.225441|4.692369|4.584130|5.452440|8.773286|17.629931|12.365557|0.222595|0.224609|5.578470|4.896274|2.909076|5.203624|2.404899|2.081994|1.939528|2.237384|2.948465|0.056821|2.304535|2.007132|1.802047|1.917709|0.048660|0.059348|0.054315|0.044217|0.082596|0.069399|0.079829|0.082159|0.078904|0.127598|0.127847|0.213530|0.215378|0.301444|0.500000| |1.967882|2.133732|2.109636|1.928969|2.459039|1.823209|2.230983|0.066343|2.417007|3.899430|3.483555|6.026768|4.437039|0.113131|4.206555|6.862642|6.528206|6.600447|5.669681|6.902991|12.434694|0.226043|0.181148|17.646446|8.730128|4.429942|8.153566|3.455750|2.890694|2.744101|3.387023|2.642134|0.050853|1.944684|1.722445|1.619638|1.775364|0.053752|0.062506|0.051927|0.047425|0.067682|0.061394|0.077737|0.114437|0.095069|0.238025|0.142600|0.126978|0.131691|0.207069|0.142589|0.500000| |1.859695|1.986328|1.992064|1.867082|2.399735|1.761147|2.080230|0.060299|2.298732|3.719923|3.174241|5.275737|4.075208|0.113776|3.740425|5.413376|4.589832|5.425045|4.889922|5.577657|12.359974|0.221781|0.225247|17.629834|8.781196|3.489359|6.084276|2.965648|2.501097|2.483973|3.062089|2.474727|0.048399|1.808523|1.599386|1.512886|1.652007|0.050478|0.056875|0.050814|0.046160|0.063883|0.059809|0.076491|0.107969|0.085693|0.141141|0.105027|0.107564|0.128819|0.142652|0.126503|0.301808|0.500000| |2.284284|2.482349|2.553819|2.393510|3.019182|2.176173|2.682179|0.076586|3.119625|5.452486|4.729631|7.138561|7.049833|0.225753|5.432625|6.720541|5.490178|8.769845|6.832255|5.693770|9.366041|0.143696|0.203167|8.911817|17.512663|3.839822|6.126837|3.306873|2.638549|2.606153|3.291931|3.071676|0.060265|2.206757|1.887213|1.783605|1.986189|0.060506|0.069889|0.065447|0.056059|0.085114|0.080804|0.115442|0.157771|0.117827|0.140935|0.122901|0.139648|0.201158|0.132369|0.127964|0.173175|0.217236|0.500000| |2.433846|2.619665|2.581764|2.373684|3.041505|2.261077|2.645102|0.077352|2.914107|5.048388|4.478427|6.929233|6.914713|0.186603|6.969713|9.562693|7.021429|8.714145|5.514832|4.890109|7.632433|0.127318|0.143003|9.032671|17.591983|5.424731|8.333615|4.476464|3.381381|3.348959|4.564063|3.003376|0.058179|2.127103|1.844921|1.766924|1.989666|0.065893|0.075312|0.063173|0.058499|0.078072|0.074248|0.105680|0.217861|0.139119|0.189442|0.140473|0.122901|0.139628|0.128828|0.107787|0.214559|0.213432|0.303908|0.500000| |4.186192|4.331957|3.576614|3.079401|4.107527|3.415814|3.284651|0.100195|3.085947|4.979793|4.034221|6.595954|4.562439|0.111338|7.195973|9.814228|4.678017|3.954475|3.052805|2.664209|3.500202|0.064927|0.067017|3.012891|3.628040|8.843973|10.591996|17.566339|8.726479|7.102785|8.707150|3.613000|0.068027|2.383469|2.120882|2.148346|2.561332|0.124561|0.134496|0.075124|0.087456|0.077720|0.076939|0.101813|0.195399|0.229880|0.116547|0.118364|0.083239|0.077598|0.076176|0.064930|0.086691|0.076594|0.090239|0.115996|0.500000| |3.279372|3.278361|2.719127|2.389510|3.245057|2.718232|2.543930|0.077819|2.332028|3.503092|2.792736|4.886871|2.970946|0.074323|3.849498|5.880263|3.393554|2.819744|2.355519|2.176103|2.860636|0.054873|0.054433|2.392816|2.646600|5.822046|9.488221|8.469312|17.594368|8.425942|6.161130|2.997212|0.056482|2.025050|1.884850|1.927438|2.230534|0.103219|0.103481|0.059208|0.072182|0.060657|0.059100|0.070295|0.104202|0.114408|0.091811|0.091060|0.065390|0.059839|0.063845|0.054280|0.070967|0.061960|0.066294|0.081650|0.214282|0.500000| |2.645209|2.710887|2.362795|2.099428|2.811833|2.277102|2.288361|0.069952|2.173212|3.312498|2.720432|4.789291|3.009200|0.074884|3.839337|6.405692|3.789417|3.034179|2.510295|2.388629|3.187596|0.061698|0.059587|2.730350|2.927558|7.089056|13.460268|8.759422|17.628218|8.681609|7.073330|2.712095|0.051296|1.879952|1.742343|1.743170|1.977538|0.079540|0.084079|0.053171|0.060449|0.057558|0.055057|0.066348|0.105137|0.105443|0.108984|0.098623|0.068525|0.062773|0.071474|0.058837|0.083746|0.070666|0.071421|0.091724|0.174049|0.300307|0.500000| |3.131342|2.942767|2.511044|2.321607|3.267537|2.750130|2.280027|0.066784|2.163039|3.310789|2.553070|4.262794|2.835273|0.074618|3.680458|5.090085|2.943192|2.636420|2.181808|2.015699|2.754123|0.052720|0.053363|2.353723|2.636815|4.554859|7.046304|7.034386|8.673873|17.577828|8.699493|2.678500|0.051819|1.790750|1.652400|1.698992|1.954424|0.097993|0.086074|0.057877|0.075783|0.055496|0.056372|0.069307|0.110747|0.106501|0.079868|0.075441|0.058828|0.056945|0.057621|0.050358|0.068039|0.062958|0.067829|0.084248|0.187776|0.211946|0.172712|0.500000| |2.482670|2.414544|2.127683|1.968352|2.721185|2.220104|1.998670|0.058911|1.928904|2.946099|2.322498|3.941982|2.615647|0.068570|3.281723|4.843642|2.914042|2.564443|2.139304|2.036872|2.824478|0.054836|0.054105|2.442651|2.631478|4.512020|7.592529|6.161654|8.448071|17.614286|8.462935|2.383178|0.046073|1.630865|1.513207|1.533551|1.731364|0.075312|0.071207|0.050037|0.060815|0.050463|0.050195|0.061043|0.097958|0.090042|0.082696|0.073996|0.057194|0.055321|0.059047|0.050755|0.072339|0.065995|0.066640|0.084516|0.141522|0.179532|0.212397|0.300854|0.500000| |2.551474|2.585269|2.342187|2.145789|2.889619|2.291983|2.254131|0.066793|2.253680|3.599080|2.951559|4.891093|3.603320|0.093338|4.759634|7.406667|4.209378|3.652535|2.848653|2.694259|3.828903|0.072794|0.072153|3.555409|3.948099|7.064576|10.927782|8.670134|7.077112|8.708473|17.571072|2.619842|0.050484|1.808034|1.636425|1.625376|1.843072|0.074117|0.076201|0.055046|0.061192|0.059105|0.057963|0.074878|0.150533|0.118428|0.121984|0.098807|0.073620|0.072457|0.077980|0.064921|0.106659|0.095114|0.095517|0.138131|0.173277|0.141103|0.187837|0.173334|0.213881|0.500000| |3.051643|2.997840|2.682160|2.491430|3.422075|2.757821|2.485634|0.072251|2.480192|4.020384|3.170497|5.052616|3.874567|0.103944|5.393571|7.026032|3.830391|3.563629|2.767437|2.510281|3.531977|0.066058|0.068524|3.190991|3.785673|5.823282|8.166813|8.384616|6.154271|8.415936|17.573925|2.836273|0.055106|1.908393|1.711867|1.723912|1.985777|0.088864|0.085978|0.063047|0.074049|0.063358|0.064461|0.086347|0.189968|0.141197|0.102776|0.091514|0.071871|0.072382|0.070483|0.061186|0.090333|0.085728|0.096444|0.131542|0.213193|0.135958|0.140984|0.212505|0.179812|0.299688|0.500000| |2.857114|3.488689|4.378289|3.931636|4.230675|2.759395|6.277928|0.155571|6.397586|5.992921|3.914870|7.618928|2.987440|0.079252|2.661525|3.353067|2.525509|2.642476|2.784313|2.351311|2.789350|0.052282|0.056974|1.978188|2.219078|2.182063|3.623185|2.051497|1.837954|1.691112|1.815701|12.218197|0.238284|17.658815|8.638168|6.030041|5.844925|0.069953|0.095028|0.119248|0.066697|0.221494|0.167560|0.104534|0.066021|0.079266|0.062026|0.076739|0.087822|0.078672|0.062824|0.065013|0.053203|0.050202|0.061768|0.058178|0.061610|0.051977|0.048831|0.046961|0.042999|0.048062|0.050804|0.500000| |3.109843|3.982259|4.734097|3.829859|4.159325|2.841105|7.406960|0.226565|6.526403|6.540691|4.660583|10.081166|3.406673|0.086000|3.077275|3.981593|3.019704|3.033780|3.159265|2.637665|3.051317|0.056997|0.061031|2.179602|2.452925|2.579393|4.292700|2.374008|2.115924|1.897056|2.037971|12.285286|0.184227|17.649197|8.675418|5.927725|6.445827|0.077086|0.115869|0.107292|0.068086|0.225131|0.145817|0.108514|0.073867|0.092650|0.072991|0.095553|0.103330|0.085518|0.072005|0.071745|0.059517|0.054416|0.066476|0.064378|0.071344|0.060163|0.056377|0.052221|0.047876|0.053829|0.056151|0.301299|0.500000| |2.471607|2.898870|3.331274|3.040048|3.501140|2.371287|4.127884|0.111180|3.719042|4.011355|2.771183|5.425191|2.268103|0.059860|2.120892|2.767611|2.070231|2.083516|2.170821|1.922865|2.310646|0.044184|0.046744|1.645709|1.795879|1.873313|3.177924|1.783039|1.651492|1.512852|1.583230|8.012304|0.154889|8.735764|17.626386|8.710707|5.737215|0.062406|0.080848|0.088286|0.058768|0.114044|0.099063|0.073193|0.053414|0.063065|0.052265|0.063018|0.067492|0.060052|0.052604|0.053449|0.045022|0.042170|0.049379|0.047760|0.052977|0.047379|0.044246|0.042116|0.038853|0.042006|0.043801|0.223357|0.182522|0.500000| |2.682220|3.233379|3.561407|3.056067|3.528379|2.469268|4.503935|0.132682|3.792314|4.205905|3.019892|6.148067|2.449173|0.062979|2.331490|3.106403|2.321171|2.263900|2.331021|2.062962|2.448664|0.046801|0.048833|1.756779|1.917375|2.118229|3.612949|1.997779|1.857716|1.667328|1.736381|8.285983|0.140377|8.818564|17.606628|8.791223|6.583915|0.068538|0.094463|0.084730|0.060766|0.115278|0.095199|0.075315|0.057761|0.069918|0.058366|0.072252|0.073539|0.062859|0.057416|0.056702|0.048654|0.044605|0.051816|0.051193|0.059354|0.053769|0.049906|0.046183|0.042619|0.045953|0.047453|0.179460|0.227936|0.303247|0.500000| |3.011993|3.468713|4.038127|3.830977|4.432905|2.956510|4.511943|0.113902|3.701389|3.986420|2.640915|4.927931|2.197962|0.058689|2.125827|2.713665|1.954232|1.959582|1.963873|1.730010|2.127876|0.040588|0.043116|1.551901|1.716302|1.860431|3.106719|1.829098|1.704978|1.575994|1.629652|9.424389|0.203534|6.462799|8.747673|17.558757|8.860575|0.074578|0.092470|0.110195|0.072639|0.102522|0.102722|0.074963|0.054238|0.064893|0.049248|0.058236|0.059479|0.054450|0.047328|0.047259|0.042430|0.040110|0.047364|0.046517|0.055381|0.049529|0.044948|0.044628|0.040264|0.042593|0.045455|0.157777|0.135571|0.220323|0.174613|0.500000| |2.976521|3.450864|3.716798|3.319155|3.950997|2.783707|4.129884|0.113792|3.284464|3.698767|2.555347|4.892444|2.146427|0.056238|2.118497|2.772929|1.994356|1.944696|1.936711|1.724559|2.109620|0.040437|0.042271|1.544585|1.694249|1.933526|3.263573|1.896360|1.794996|1.631546|1.666117|7.790795|0.144254|5.664255|8.685790|17.620657|8.809311|0.075966|0.097066|0.090361|0.068873|0.091670|0.086787|0.068923|0.053643|0.064802|0.050541|0.060197|0.059023|0.052685|0.047906|0.046915|0.042750|0.039765|0.046084|0.046131|0.057140|0.052791|0.047563|0.046035|0.041704|0.043538|0.045850|0.127621|0.133285|0.192298|0.220990|0.302902|0.500000| 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