Version2.0 2020-07-17T13:47:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](c1nnnn1Cc2ccc(cc2)F)[NH+](Cc3cc4ccc(c(c4[nH]c3=O)C)C)C5CCCC5 C13065112 RHF 6-31G(d) (6D,7F) CC[C@H](c1nnnn1Cc2ccc(cc2)F)[NH+](Cc3cc4ccc(c(c4[nH]c3=O)C)C)C5CCCC5 C01[X(C28H34F1N6O1)] 204 C1 608 CC[C@H](c1nnnn1Cc1ccc(cc1)F)[NH+](C1CCCC1)Cc1cc2ccc(c(c2[nH]c1=O)C)C CC[C@H](c1nnnn1Cc1ccc(cc1)F)[NH+](C1CCCC1)Cc1cc2ccc(c(c2[nH]c1=O)C)C CC[C@@H]([NH+](CC1=Cc2ccc(C)c(C)c2NC1=O)C3CCCC3)c4nnnn4Cc5ccc(F)cc5 InChIKey=NAPNRVGWOBQSMO-RUZDIDTESA-O InChI=1S/C28H33FN6O/c1-4-25(27-31-32-33-35(27)16-20-10-13-23(29)14-11-20)34(24-7-5-6-8-24)17-22-15-21-12-9-18(2)19(3)26(21)30-28(22)36/h9-15,24-25H,4-8,16-17H2,1-3H3,(H,30,36)/p+1/t25-/m1/s1 InChI=1/C28H33FN6O/c1-4-25(27-31-32-33-35(27)16-20-10-13-23(29)14-11-20)34(24-7-5-6-8-24)17-22-15-21-12-9-18(2)19(3)26(21)30-28(22)36/h9-15,24-25H,4-8,16-17H2,1-3H3,(H,30,36)/p+1/t25-/m1/s1/fC28H34FN6O/h30,34H/q+1 CC[C@H](c1nnnn1Cc2ccc(cc2)F)[NH+](Cc3cc4ccc(c(c4[nH]c3=O)C)C)C5CCCC5 C01[X(C28H34F1N6O1)] 204 C01 608 CC[C@H](c1nnnn1Cc1ccc(cc1)F)[NH+](C1CCCC1)Cc1cc2ccc(c(c2[nH]c1=O)C)C CC[C@H]([C]1[N][N][N][N]1C[C]1[CH][CH][C]([CH][CH]1)F)[NH](C1CCCC1)CC1=[CH][C]2[CH][CH][C]([C]([C]2N[C]1[O])C)C CC[C@H]([C]1[N][N][N]N1C[C]2[CH][CH][C](F)[CH][CH]2)[NH](CC3=C[C]4[CH][CH][C](C)[C](C)[C]4N[C]3[O])C5CCCC5 InChIKey=YMHNQLNSHVQUOH-RUZDIDTESA-N InChI=1S/C28H34FN6O/c1-4-25(27-31-32-33-35(27)16-20-10-13-23(29)14-11-20)34(24-7-5-6-8-24)17-22-15-21-12-9-18(2)19(3)26(21)30-28(22)36/h9-15,24-25,34H,4-8,16-17H2,1-3H3,(H,30,36)/t25-/m1/s1 InChI=1/C28H34FN6O/c1-4-25(27-31-32-33-35(27)16-20-10-13-23(29)14-11-20)34(24-7-5-6-8-24)17-22-15-21-12-9-18(2)19(3)26(21)30-28(22)36/h9-15,24-25,34H,4-8,16-17H2,1-3H3,(H,30,36)/t25-/m1/s1/f/h30H 3977.7916366209 -1580.8916861 1-A 20082.3563 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.39924 -20.64284 -15.81500 -15.78786 -15.75845 -15.74224 -15.72438 -15.70601 -11.47115 -11.44622 -11.44555 -11.42298 -11.41710 -11.41426 -11.40919 -11.39832 -11.38247 -11.36073 -11.35942 -11.35565 -11.35508 -11.35486 -11.35307 -11.34857 -11.34811 -11.34529 -11.33997 -11.33952 -11.33740 -11.33734 -11.33680 -11.33672 -11.33117 -11.32010 -11.31964 -11.30706 -1.71954 -1.62571 -1.51223 -1.45343 -1.38941 -1.38726 -1.32401 -1.27322 -1.26293 -1.25859 -1.23557 -1.20491 -1.17030 -1.16264 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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|A|A|A|A|A|A| 12.9914 19.3624 23.7656 34.1713 42.1214 45.6403 47.8269 49.6639 67.2108 72.3217 95.0560 101.7149 109.6479 126.5895 128.3666 146.4009 153.2624 165.3758 183.2262 193.1840 196.4013 198.7690 224.6474 232.4733 248.8527 261.9175 279.1835 282.4309 302.8675 329.8719 344.3160 363.2826 374.7646 375.9347 391.5981 414.4532 439.9359 449.8164 451.9978 456.9388 461.9201 467.1599 493.9342 511.8756 530.2528 551.4661 586.0590 592.9330 593.5413 601.6696 627.5110 661.0032 669.2750 694.1361 697.2287 722.6154 744.9687 752.3839 771.8002 793.1159 800.0471 822.7552 832.0186 833.6197 839.3246 853.1455 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0.8004 1.0765 5.8029 1.6471 2.6501 1.9040 0.0295 3.6646 2.5461 2.7595 1.5134 0.4411 4.4572 1.4509 1.7370 4.1750 0.6165 2.3277 5.7092 9.3588 2.3754 22.3812 1.6663 6.6119 0.4571 2.8186 1.8167 0.6387 0.6890 3.2487 0.9615 2.9879 4.1998 1.5149 3.6293 7.4861 1.2008 27.3523 16.5106 2.3636 1.9859 10.1876 2.4887 4.3174 2.9720 5.3679 0.8091 3.8711 7.2710 2.0642 2.8002 2.0258 2.6829 6.2460 0.2366 8.4636 0.1796 7.7781 4.8272 4.6811 5.3425 1.6654 17.3605 0.0585 0.6689 3.7161 1.4060 6.2090 5.5676 9.1513 4.0316 5.1348 3.9828 1.5083 2.1068 1.5906 5.6421 2.4378 5.3308 4.6714 8.6099 18.8818 51.5777 87.4508 13.0187 6.3125 4.4813 316.0098 102.9406 3.9992 3.0264 1.6514 6.3910 4.2524 2.3560 4.2232 3.5620 4.1793 5.0273 3.5799 6.9776 11.3201 37.7066 26.0488 9.9737 21.0410 7.9796 0.7574 13.7311 29.1168 23.0941 16.0922 34.7051 23.9134 18.3677 24.6739 5.3378 12.9721 2.8101 2.9656 9.0201 7.9930 17.2649 13.1174 7.3203 18.5012 3.4501 0.7922 7.6371 81.4222 7.1399 426.9901 21.7486 68.4223 94.5386 102.1232 194.5067 101.8297 64.0544 60.2566 66.4208 20.8249 104.8951 209.5220 82.6225 41.5658 95.4293 33.9815 57.4861 59.3687 81.0238 51.7889 131.2792 65.9158 69.0586 43.8298 62.3484 82.4833 53.8975 34.8984 42.7656 32.0427 36.4234 172.9799 113.7479 105.2209 31.8875 38.6395 40.5025 0.7395 0.7300 0.7498 0.7351 0.7488 0.7497 0.7341 0.7499 0.6723 0.7431 0.7483 0.7442 0.7076 0.7479 0.6096 0.6989 0.6114 0.7105 0.2706 0.7283 0.7480 0.4347 0.7463 0.6755 0.3260 0.1701 0.6933 0.5960 0.4042 0.2281 0.7216 0.3407 0.5552 0.6781 0.6221 0.4877 0.0504 0.7062 0.6138 0.5125 0.7420 0.7420 0.0203 0.4437 0.4544 0.7455 0.3661 0.0676 0.5022 0.6533 0.5293 0.7255 0.6621 0.7499 0.3153 0.7179 0.0719 0.1058 0.0963 0.5924 0.3362 0.2471 0.5070 0.1368 0.2916 0.7331 0.2241 0.3262 0.6753 0.3518 0.2228 0.6879 0.1089 0.0500 0.4698 0.5549 0.1360 0.4418 0.4864 0.5969 0.7104 0.4147 0.5753 0.3929 0.7302 0.7101 0.4917 0.5362 0.2646 0.5620 0.5706 0.3394 0.5778 0.6167 0.3437 0.6055 0.7451 0.5766 0.7427 0.7373 0.5007 0.2027 0.6132 0.5344 0.1868 0.7353 0.5541 0.6422 0.3685 0.0711 0.7073 0.2641 0.6810 0.3974 0.3327 0.6684 0.3087 0.3695 0.2997 0.5599 0.0604 0.6845 0.2311 0.3916 0.7472 0.5820 0.7243 0.6748 0.7236 0.7034 0.7498 0.5643 0.4618 0.6898 0.5690 0.3074 0.4439 0.1680 0.4073 0.7463 0.4166 0.3542 0.7374 0.3889 0.2850 0.3258 0.7448 0.7500 0.6830 0.2557 0.5165 0.7366 0.5016 0.6301 0.6065 0.7011 0.5862 0.7219 0.5350 0.5058 0.3757 0.3883 0.4180 0.2006 0.4302 0.7467 0.4344 0.7494 0.1417 0.2629 0.0582 0.0561 0.0501 0.1811 0.7353 0.4040 0.6693 0.2420 0.1020 0.0390 0.5577 0.7468 0.1028 0.7168 0.7127 0.6946 0.5704 0.1158 0.7197 0.3921 0.4597 0.4660 0.4573 0.4080 0.1521 0.7461 0.4776 0.7059 0.1847 0.2380 0.2552 0.4723 0.2259 0.2179 0.8502 0.8439 0.8570 0.8473 0.8563 0.8569 0.8466 0.8570 0.8040 0.8526 0.8561 0.8533 0.8288 0.8557 0.7575 0.8228 0.7589 0.8308 0.4260 0.8428 0.8559 0.6060 0.8547 0.8063 0.4918 0.2907 0.8189 0.7469 0.5757 0.3714 0.8383 0.5082 0.7140 0.8082 0.7670 0.6556 0.0960 0.8278 0.7607 0.6777 0.8519 0.8519 0.0398 0.6146 0.6249 0.8542 0.5360 0.1266 0.6687 0.7903 0.6922 0.8409 0.7967 0.8571 0.4795 0.8358 0.1341 0.1914 0.1757 0.7440 0.5032 0.3963 0.6728 0.2407 0.4515 0.8460 0.3662 0.4920 0.8062 0.5205 0.3645 0.8151 0.1965 0.0952 0.6393 0.7138 0.2395 0.6129 0.6544 0.7476 0.8307 0.5863 0.7304 0.5642 0.8440 0.8305 0.6593 0.6981 0.4185 0.7196 0.7266 0.5068 0.7324 0.7629 0.5116 0.7543 0.8539 0.7315 0.8523 0.8488 0.6673 0.3371 0.7602 0.6965 0.3148 0.8475 0.7131 0.7821 0.5386 0.1328 0.8286 0.4179 0.8102 0.5688 0.4993 0.8013 0.4717 0.5396 0.4612 0.7179 0.1140 0.8127 0.3754 0.5628 0.8553 0.7358 0.8401 0.8058 0.8396 0.8259 0.8570 0.7215 0.6319 0.8165 0.7253 0.4702 0.6148 0.2877 0.5788 0.8547 0.5881 0.5231 0.8489 0.5601 0.4436 0.4914 0.8538 0.8571 0.8117 0.4072 0.6812 0.8483 0.6681 0.7731 0.7551 0.8243 0.7391 0.8385 0.6970 0.6718 0.5462 0.5594 0.5896 0.3341 0.6016 0.8550 0.6057 0.8568 0.2482 0.4164 0.1101 0.1062 0.0955 0.3067 0.8475 0.5755 0.8019 0.3897 0.1851 0.0752 0.7161 0.8550 0.1865 0.8350 0.8322 0.8198 0.7265 0.2076 0.8370 0.5633 0.6298 0.6358 0.6276 0.5796 0.2640 0.8546 0.6464 0.8276 0.3118 0.3845 0.4067 0.6416 0.3685 0.3579 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 6 6 6 1 6 7 7 7 7 6 6 6 6 6 6 6 9 7 1 6 6 6 6 6 6 6 6 6 7 1 6 8 6 6 6 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 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 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 12283.4693 28132.6689 32185.9225 0.99947 -0.03254 -0.00276 0.03248 0.99929 -0.01913 0.00338 0.01903 0.99981 1 0.00705 0.00308 0.00269 0.14692 0.06415 0.05607 18.69 27.86 34.19 49.16 60.60 65.67 68.81 71.46 96.70 104.05 136.76 146.35 157.76 182.13 184.69 210.64 220.51 237.94 263.62 277.95 282.58 285.98 323.22 334.48 358.04 376.84 401.68 406.36 435.76 474.61 495.39 522.68 539.20 540.89 563.42 596.31 632.97 647.19 650.32 657.43 664.60 672.14 710.66 736.47 762.92 793.44 843.21 853.10 853.97 865.67 902.85 951.04 962.94 998.71 1003.16 1039.68 1071.84 1082.51 1110.45 1141.12 1151.09 1183.76 1197.09 1199.39 1207.60 1227.49 1235.06 1262.82 1264.92 1284.98 1304.57 1321.16 1329.53 1339.00 1352.24 1369.41 1372.89 1377.85 1413.88 1426.73 1481.29 1494.68 1501.45 1550.22 1553.07 1558.91 1563.60 1568.42 1573.84 1593.44 1594.81 1601.59 1623.22 1629.31 1641.32 1648.60 1657.42 1665.78 1692.21 1714.52 1731.38 1737.75 1756.07 1778.48 1802.54 1809.71 1836.55 1849.54 1852.29 1882.08 1889.62 1896.95 1907.20 1918.09 1940.62 1961.58 1965.52 1979.31 2003.35 2015.37 2020.37 2031.86 2050.38 2056.85 2063.92 2072.48 2099.45 2104.33 2114.22 2130.35 2142.39 2145.36 2180.65 2187.12 2202.12 2207.41 2212.37 2236.02 2256.91 2264.51 2265.32 2275.09 2277.19 2291.75 2294.55 2339.42 2344.56 2345.17 2349.08 2352.75 2356.07 2360.77 2364.00 2370.55 2373.22 2377.49 2379.43 2383.60 2391.48 2402.65 2413.29 2413.69 2445.96 2502.89 2536.62 2575.78 2609.80 2618.92 2619.19 2700.56 4597.17 4628.42 4628.95 4646.46 4663.84 4664.21 4669.53 4687.09 4688.99 4701.33 4705.64 4711.41 4716.49 4720.80 4729.05 4738.60 4742.62 4752.23 4754.38 4763.33 4770.16 4785.13 4811.28 4829.88 4836.44 4853.90 4856.22 4879.16 4884.68 4902.56 4904.86 4919.20 5146.28 5555.86 0.638683 0.669628 0.670572 0.572953 -1580.253003 -1580.222058 -1580.221114 -1580.318733 3.274157D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE CC[C@H](c1nnnn1Cc2ccc(cc2)F)[NH+](Cc3cc4ccc(c(c4[nH]c3=O)C)C)C5CCCC5 C13065112 RHF 6-31G(d) (6D,10F) C1 489.277813 |X|Y|Z| 67.821736 49.031674 114.361043 72.450476 30 6 7 24 6 |36.858105| |12.445000|36.858105| |7.381384|12.346195|36.858105| |7.069735|8.974837|17.715484|0.500000| |4.918572|7.613777|12.648919|0.252280|36.858105| |4.075655|5.976353|7.596852|0.159360|14.714078|53.358707| |3.308573|4.475592|5.325566|0.126755|9.048228|19.441439|53.358707| |3.293479|4.344590|5.290816|0.136258|8.885839|12.191593|20.730263|53.358707| |4.050402|5.535271|7.554216|0.202840|14.253441|12.188015|12.448020|19.535473|53.358707| |3.818050|4.697282|5.939911|0.191138|7.406026|7.252635|7.488527|10.742808|17.695114|36.858105| |4.211886|4.958957|5.376814|0.175251|5.791646|5.986280|5.960642|7.605676|10.413042|12.591061|36.858105| |4.384734|4.601582|4.823811|0.167929|4.563702|4.839562|4.646862|5.524623|7.182388|7.567901|13.736029|36.858105| |4.150436|4.075485|3.898702|0.126881|3.635370|4.077781|3.922755|4.482880|5.424622|5.013259|7.889511|13.732731|36.858105| |3.834010|3.892622|3.545872|0.108377|3.445233|4.008877|3.926269|4.440689|5.133329|4.460899|6.907848|8.023193|13.843294|36.858105| |3.704162|4.082775|3.727689|0.109585|3.867299|4.569204|4.605506|5.297282|5.956297|5.015528|7.899838|6.873692|7.893421|13.779298|36.858105| |3.864416|4.600219|4.500776|0.132741|5.029657|5.706914|5.898099|7.281873|8.530623|7.544482|13.670049|7.952121|6.859311|8.011531|13.796031|36.858105| |3.365196|3.282315|2.938639|0.087880|2.827608|3.398144|3.325694|3.658666|4.092714|3.406605|4.669856|5.320694|8.191298|14.413876|8.181223|5.321612|97.533100| |6.047404|7.481831|12.524438|0.254917|7.491864|8.254750|5.963296|5.634839|7.066064|4.315841|3.843727|3.646389|3.082355|2.805237|2.879116|3.318446|5.453261|53.358707| |7.199005|7.608437|9.287702|0.211462|5.707399|6.607845|4.996830|4.745751|5.784845|3.715749|3.503718|3.449387|3.020147|2.752050|2.768355|3.084938|5.441898|25.547415|0.500000| |4.518502|5.619102|7.288920|0.153765|6.307161|8.746772|6.176873|5.372272|6.079349|3.568198|3.157184|2.920143|2.542708|2.395737|2.511741|2.869208|4.750905|16.986403|0.264860|36.858105| |4.616918|5.630683|5.801643|0.124376|5.085829|7.515867|5.486520|4.685653|5.108447|3.057416|2.852097|2.652773|2.394406|2.314635|2.435654|2.704715|4.673671|10.246765|0.211607|12.702435|36.858105| |3.839727|4.754624|4.671283|0.103070|4.605608|7.530953|5.708080|4.665977|4.807538|2.842427|2.665171|2.431471|2.221775|2.200264|2.362232|2.613847|4.476594|7.088100|0.140752|7.581753|14.180085|36.858105| |3.423781|3.957324|3.640737|0.084306|3.538146|5.532858|4.544244|3.842770|3.916166|2.409369|2.327830|2.157152|2.023354|2.032193|2.168375|2.331262|4.220462|5.322196|0.111175|4.969962|7.843430|13.244381|36.858105| |2.842381|3.263816|3.027065|0.071905|3.074890|4.892473|4.261401|3.592915|3.543083|2.197364|2.129794|1.959833|1.854229|1.889285|2.036632|2.174864|3.957761|4.257647|0.087106|3.811409|5.131523|7.655145|13.615653|36.858105| |2.536544|2.794834|2.558486|0.062313|2.557696|3.926827|3.515224|3.054812|3.025291|1.927085|1.896365|1.769282|1.699984|1.741039|1.859382|1.947831|3.703483|3.580918|0.074528|3.069396|3.949317|5.109973|7.954306|13.939052|36.858105| |2.577752|2.731132|2.461644|0.060597|2.380542|3.536467|3.140625|2.789267|2.818606|1.826674|1.817544|1.724675|1.672311|1.704222|1.791652|1.853839|3.656816|3.488674|0.074518|2.922727|3.779709|4.501741|6.817554|7.886877|13.556223|36.858105| |2.977538|3.087105|2.747738|0.067235|2.566373|3.740116|3.236385|2.891510|2.985347|1.937244|1.930646|1.849919|1.789295|1.803160|1.875138|1.942746|3.854389|3.988157|0.087581|3.339305|4.518265|5.088703|7.784376|6.776820|7.866810|13.710930|36.858105| |3.533574|3.792223|3.384084|0.080319|3.115546|4.587801|3.818539|3.356066|3.501983|2.224044|2.189035|2.079748|1.978829|1.976122|2.065313|2.177695|4.155036|5.043915|0.111389|4.425159|6.769959|7.812395|13.646438|7.920972|6.919286|7.959103|13.580378|36.858105| |4.182097|4.268719|3.809387|0.090514|3.293496|4.637082|3.781768|3.391033|3.649155|2.343470|2.308995|2.232409|2.114188|2.072121|2.128375|2.246503|4.337243|5.997983|0.141477|5.115512|7.977953|6.976185|7.997978|5.205534|4.600461|5.188062|7.864395|13.721946|53.358707| |3.997647|3.829519|3.399098|0.083382|2.911925|4.008782|3.344402|3.057882|3.303714|2.171293|2.164854|2.128876|2.041588|1.995117|2.020836|2.103468|4.223248|5.294507|0.127178|4.248796|5.816821|5.111436|5.791311|4.263156|4.025804|4.773316|7.283917|9.194207|26.005013|0.500000| |4.954580|5.211453|4.903426|0.112687|4.006496|5.504937|4.302762|3.857977|4.264178|2.699040|2.608502|2.517100|2.327987|2.238476|2.295694|2.473549|4.599199|8.582283|0.214668|7.611133|13.079446|7.856278|6.744092|4.510582|3.789460|3.945287|5.156796|7.820987|19.198965|0.266430|36.858105| |5.407589|5.125193|4.982403|0.120268|3.830988|4.970110|3.959675|3.670389|4.159675|2.718521|2.640493|2.619793|2.419631|2.276099|2.283096|2.447116|4.677502|9.296871|0.270510|6.869179|8.132031|5.382832|4.707975|3.498826|3.065806|3.226417|4.079959|5.377379|11.531001|0.219121|15.582284|73.516695| |2.845970|2.799629|2.489121|0.062368|2.275516|3.218519|2.814098|2.571717|2.686700|1.783388|1.795646|1.753473|1.715285|1.718534|1.756167|1.795462|3.716127|3.631277|0.081420|2.917301|3.729293|3.847727|4.989304|4.405065|4.971378|7.472403|12.581753|7.568821|9.104158|0.214858|4.546115|6.965426|36.858105| |2.208433|2.289667|2.075686|0.052130|2.013107|2.948012|2.679062|2.419680|2.437294|1.607969|1.611668|1.541791|1.511086|1.546125|1.615390|1.650984|3.359468|2.915141|0.062194|2.377202|2.917422|3.316551|4.424045|5.043128|7.601944|12.592068|7.517795|5.010467|5.232229|0.104449|3.071165|4.701764|6.347788|36.858105| |4.577666|4.978573|7.415769|0.208972|5.592162|6.264794|5.046201|5.005684|6.186939|4.120458|3.551622|3.495017|2.916548|2.581599|2.592720|2.972586|5.047428|17.090387|0.262971|7.655019|5.039616|3.851682|3.072699|2.565453|2.217168|2.174003|2.448484|2.964768|4.718105|0.088768|4.593013|9.363433|2.289788|1.863959|36.858105| |3.569743|4.043480|5.931391|0.170932|5.580645|6.396384|5.487961|5.595416|6.759572|4.510465|3.579420|3.401030|2.775855|2.469595|2.523849|2.964457|4.797752|10.021601|0.156275|6.024855|4.106971|3.413258|2.736064|2.368648|2.046405|1.969768|2.158800|2.563627|3.884597|0.072937|3.568360|6.771383|2.000474|1.705950|12.464033|36.858105| |3.055266|3.238120|4.286679|0.131172|3.975533|4.670944|4.232227|4.427359|5.186292|3.804987|3.149293|3.142893|2.608455|2.283998|2.277040|2.607192|4.499154|6.777423|0.119987|4.190165|3.177590|2.709105|2.273817|2.003092|1.772302|1.727305|1.886414|2.182796|3.307270|0.063747|2.935022|5.708566|1.786179|1.523285|7.907139|12.303747|36.858105| |3.390341|3.368514|4.281694|0.136723|3.642067|4.205454|3.743696|3.909205|4.664504|3.523999|3.116268|3.281969|2.772858|2.376743|2.302465|2.571057|4.718693|6.822682|0.130572|3.940867|3.117116|2.606577|2.231379|1.946673|1.742704|1.727695|1.912177|2.201565|3.415975|0.067114|3.037534|6.190869|1.844553|1.529872|8.044706|7.675196|12.273062|36.858105| |4.663633|4.543042|6.054328|0.204190|4.527868|4.975298|4.229215|4.383404|5.476251|4.043796|3.663660|3.885997|3.239667|2.750178|2.656436|2.980180|5.383537|10.023284|0.195950|4.904096|3.815868|3.066681|2.584425|2.204350|1.955185|1.945221|2.184763|2.563841|4.074948|0.079503|3.757424|7.916285|2.098304|1.700536|12.458377|7.874601|7.739178|12.389588|36.858105| |17.579497|8.666470|6.511108|0.170176|4.382513|5.121535|4.138987|4.048050|4.866786|3.342132|3.516553|3.664345|3.452674|3.173520|3.066563|3.210218|6.421026|8.826412|0.247014|4.868485|5.057436|3.989596|3.572592|2.891188|2.589462|2.680565|3.184988|3.830815|6.596206|0.131667|5.987687|12.897659|3.103938|2.284709|4.934532|3.644705|3.143912|3.571458|4.986491|0.500000| |17.552262|8.772348|6.753006|0.211805|4.634231|5.060876|4.257439|4.397555|5.523251|4.090695|4.690319|5.301261|5.030382|4.342928|3.972626|4.101571|8.421428|7.381030|0.169737|3.955519|3.818975|3.234023|2.888682|2.463424|2.220962|2.247703|2.549157|2.951987|4.660135|0.092310|4.003473|7.934528|2.466793|1.962459|4.539270|3.605833|3.189266|3.643016|5.073760|0.300184|0.500000| |17.581237|8.874661|5.444122|0.143994|4.119444|4.892869|4.096022|4.054345|4.793410|3.345859|3.797251|3.946116|3.975982|3.862060|3.714417|3.686463|7.925358|6.270810|0.147354|3.784530|4.073947|3.574045|3.350597|2.834256|2.583507|2.659601|3.063090|3.528025|5.532815|0.110262|4.458958|8.291092|2.965107|2.300426|3.644774|2.977846|2.603280|2.852364|3.700951|0.303929|0.302837|0.500000| |8.761462|17.622828|8.805088|0.175254|6.769995|8.496366|6.166462|5.606518|6.601152|3.961112|4.050099|3.698978|3.371071|3.332507|3.569214|3.954830|6.533012|9.305106|0.196323|6.082846|7.051341|6.135674|5.037626|3.989372|3.321120|3.216473|3.676530|4.712024|7.073900|0.123552|6.265569|9.866886|3.211502|2.615949|4.476387|3.698895|2.952754|3.010933|3.894651|0.207076|0.172179|0.211764|0.500000| |8.909129|17.584725|9.013096|0.214448|7.422468|7.932645|6.378889|6.445621|8.225675|5.245101|6.053759|5.312667|4.752302|4.748854|5.228433|5.977730|8.678167|7.539255|0.149496|4.474624|4.464571|4.078230|3.511915|3.037900|2.634866|2.544813|2.794183|3.314074|4.843209|0.089999|4.091473|7.070018|2.536306|2.168856|4.128135|3.604963|2.959302|3.032132|3.906494|0.172636|0.212307|0.217178|0.305360|0.500000| |3.820710|4.481176|6.012418|0.212646|6.625468|6.479990|6.343697|8.219977|12.460569|17.611785|8.862877|7.307280|4.771567|4.000361|4.177531|5.575527|7.072367|6.292788|0.109627|3.672536|3.047958|2.758767|2.331108|2.103121|1.851006|1.770872|1.894970|2.179263|3.178637|0.060489|2.726671|4.999902|1.761042|1.561219|4.767277|5.405697|4.670825|4.297710|4.884980|0.095276|0.116594|0.090899|0.104043|0.130388|0.500000| |3.147442|3.764987|4.539249|0.138577|5.725980|6.333827|7.146072|10.766577|12.795678|17.641100|8.826992|5.946941|4.322967|3.999619|4.577363|6.643073|7.072519|4.860805|0.086557|3.110669|2.700584|2.567832|2.204533|2.048056|1.807194|1.703419|1.785246|2.025936|2.865791|0.054349|2.385839|4.238793|1.643389|1.511702|3.491541|3.957347|3.458552|3.126657|3.408964|0.078141|0.092481|0.078716|0.092202|0.115748|0.303493|0.500000| |4.234724|4.296913|4.789297|0.176377|4.361556|4.605426|4.367496|5.129367|6.695841|7.005291|8.898865|17.695590|8.957591|5.692621|4.950857|5.642834|9.637813|5.160209|0.099432|2.969198|2.634369|2.373014|2.093288|1.888593|1.705439|1.670310|1.802382|2.031047|3.004355|0.058737|2.517880|4.751195|1.719451|1.494032|3.839333|3.753796|3.592638|3.851241|4.530601|0.102085|0.145334|0.102905|0.096422|0.128419|0.224440|0.154703|0.500000| |3.879848|3.603002|3.448217|0.112038|3.138126|3.581511|3.422097|3.833069|4.555739|4.078829|5.611250|8.841083|17.747346|8.966089|5.639515|4.947545|16.730855|3.880646|0.079016|2.358406|2.229226|2.056416|1.890902|1.731310|1.601424|1.590345|1.707979|1.874020|2.745207|0.054737|2.209067|4.137925|1.658572|1.447223|2.756787|2.596644|2.504915|2.728904|3.148820|0.092199|0.133019|0.104267|0.084081|0.111338|0.113105|0.100024|0.214166|0.500000| |3.286643|3.610257|3.243166|0.092444|3.406588|4.207289|4.300397|4.807180|5.127146|4.078052|5.614159|4.955031|5.643447|8.950414|17.746996|8.868490|16.738689|3.511649|0.069357|2.314267|2.287685|2.261682|2.111688|2.015400|1.856493|1.783235|1.845085|2.007945|2.774144|0.053821|2.160389|3.775322|1.724891|1.619543|2.314673|2.256578|2.039831|2.051872|2.339556|0.076939|0.094939|0.094054|0.091329|0.125811|0.095866|0.107283|0.107536|0.124589|0.500000| |3.487074|4.301983|4.271609|0.119607|5.179808|6.242506|6.897511|8.720359|9.062412|6.985444|8.882253|5.647317|4.944557|5.683456|8.966471|17.711555|9.635411|4.366989|0.081810|2.879204|2.730266|2.705129|2.405745|2.277621|2.025199|1.898557|1.965518|2.204257|3.040285|0.057564|2.444065|4.217961|1.793071|1.686317|2.846606|2.893021|2.507475|2.415472|2.760941|0.082253|0.098877|0.092906|0.107741|0.152048|0.140319|0.186543|0.123914|0.107428|0.214302|0.500000| |3.931333|5.075163|6.810861|0.145514|7.235089|11.350965|7.702971|6.344707|6.896244|3.829407|3.254893|2.914433|2.506954|2.382694|2.547842|2.973656|4.691798|12.165996|0.183584|17.768543|8.880792|7.164598|4.656029|3.779164|3.001062|2.770989|3.050830|3.924181|5.732275|0.098549|5.561431|8.840211|2.633369|2.271417|6.544593|6.223034|4.172729|3.689889|4.362654|0.111840|0.098229|0.093636|0.151138|0.119707|0.107584|0.094174|0.081634|0.063867|0.065395|0.084827|0.500000| |3.885948|4.429110|5.519433|0.128964|4.829280|6.596440|5.101400|4.567367|5.080610|3.133273|2.779449|2.630715|2.311033|2.161438|2.233666|2.515585|4.336266|12.510531|0.223713|17.651990|9.024889|6.025417|4.367490|3.430974|2.843267|2.752753|3.155659|4.069233|6.527554|0.114536|6.935894|12.169541|2.826068|2.272409|7.845873|6.134061|4.448290|4.175444|4.945458|0.119939|0.097357|0.091885|0.129116|0.101254|0.091630|0.077350|0.075601|0.060476|0.057376|0.069706|0.301650|0.500000| |3.461061|4.407947|4.550920|0.100909|4.943680|8.969570|6.834704|5.272058|5.200879|2.982063|2.732383|2.436913|2.204040|2.194433|2.395641|2.697505|4.433612|6.585570|0.123384|6.945688|9.077241|17.719245|8.790773|7.021777|4.678567|3.920556|4.134863|5.599379|6.813237|0.110197|5.590759|7.642692|3.221132|3.003586|3.702881|3.468765|2.719771|2.543202|2.934707|0.096834|0.083296|0.089350|0.151128|0.109727|0.079310|0.075823|0.065758|0.056184|0.063898|0.079224|0.216419|0.153219|0.500000| |2.676945|3.143283|2.991084|0.071108|3.166972|5.223676|4.670183|3.846446|3.689657|2.258831|2.162896|1.962023|1.843499|1.885449|2.057879|2.222003|3.928011|4.136329|0.082394|3.716578|4.698853|7.011200|8.886371|17.717937|8.964118|5.616513|4.901919|5.636277|5.733503|0.097976|3.919482|5.580547|3.527981|4.113623|2.517390|2.384463|2.005563|1.918258|2.151985|0.074440|0.065376|0.073479|0.104895|0.082859|0.059545|0.059066|0.052359|0.047518|0.056745|0.065639|0.107129|0.092309|0.211864|0.500000| |2.257356|2.481990|2.295020|0.056565|2.331732|3.583147|3.296001|2.878910|2.812928|1.804315|1.776651|1.654027|1.595172|1.643341|1.761603|1.838689|3.512827|3.173433|0.065413|2.680728|3.295632|4.141452|5.655327|9.006234|17.740056|8.886695|5.625369|4.977814|4.972299|0.091367|3.134022|4.656055|4.061624|7.124503|2.000116|1.875670|1.638761|1.603642|1.779318|0.063372|0.055722|0.064010|0.080212|0.066170|0.047972|0.047474|0.044196|0.041756|0.049244|0.053426|0.074084|0.069463|0.111043|0.216487|0.500000| |2.748152|2.680266|2.443008|0.061570|2.217078|3.117281|2.721770|2.495604|2.617465|1.743764|1.740764|1.708925|1.662006|1.647513|1.673772|1.720289|3.552286|3.659456|0.082575|2.959862|3.725719|3.713004|4.584560|3.954785|4.268717|5.826950|8.809731|6.738050|9.168909|0.231704|4.676661|7.358262|17.525876|5.075350|2.345851|2.038251|1.831920|1.899089|2.145554|0.084884|0.066821|0.077906|0.084040|0.066798|0.048285|0.044653|0.046991|0.044846|0.045369|0.047571|0.073413|0.081759|0.086328|0.090137|0.098909|0.500000| |3.162355|3.014896|2.607601|0.065664|2.339755|3.252539|2.832119|2.613564|2.762099|1.847584|1.884803|1.856414|1.831523|1.835922|1.861441|1.885864|3.987772|3.754763|0.085599|2.920305|3.698055|3.692894|4.568632|3.950883|4.274327|5.845899|8.804549|6.699049|9.099401|0.231034|4.643934|7.341276|17.519465|5.105488|2.351853|2.029981|1.817217|1.900345|2.188449|0.096393|0.075370|0.093692|0.095655|0.075656|0.050678|0.046993|0.050440|0.049358|0.050709|0.051862|0.072581|0.077758|0.085948|0.090048|0.099098|0.300952|0.500000| |2.491336|2.453339|2.197076|0.055647|2.038657|2.887856|2.569573|2.359964|2.444723|1.635089|1.651355|1.613892|1.589159|1.601426|1.636548|1.662043|3.491143|3.160989|0.069908|2.517554|3.110490|3.255715|4.136314|3.926956|4.677287|7.126465|8.813038|5.565860|6.623447|0.149930|3.620673|5.705107|17.666635|7.531605|2.027559|1.799387|1.622639|1.670490|1.876668|0.074222|0.061007|0.072561|0.076994|0.062910|0.044745|0.042175|0.043881|0.042799|0.044968|0.046218|0.064283|0.068003|0.078316|0.089543|0.111484|0.304163|0.304105|0.500000| |2.073180|2.125731|1.954504|0.049415|1.885206|2.742152|2.495223|2.265703|2.289104|1.519148|1.516037|1.459048|1.427987|1.450643|1.505363|1.540182|3.154771|2.784281|0.059582|2.272870|2.753270|3.057871|3.950748|4.309785|5.905705|8.821474|6.652392|4.562966|4.987079|0.101934|2.940560|4.569927|6.380980|17.562084|1.804866|1.651758|1.486483|1.496123|1.650528|0.060215|0.051553|0.059503|0.066626|0.055614|0.041262|0.039734|0.039535|0.038185|0.041740|0.043525|0.060049|0.061372|0.076888|0.099921|0.154627|0.151987|0.136460|0.225906|0.500000| |2.240869|2.287197|2.040705|0.051579|1.962790|2.837816|2.582896|2.356138|2.388041|1.589000|1.611008|1.550414|1.533831|1.576615|1.639597|1.657897|3.452524|2.833262|0.060871|2.260867|2.750167|3.053796|3.948556|4.303570|5.894491|8.818910|6.663140|4.565734|4.996041|0.102326|2.943034|4.582332|6.401870|17.562680|1.812259|1.651045|1.481822|1.500256|1.674058|0.064134|0.055329|0.065886|0.072170|0.060548|0.042805|0.041418|0.041602|0.040928|0.045832|0.046794|0.059728|0.059788|0.076755|0.099752|0.154210|0.136185|0.153709|0.225654|0.301920|0.500000| |2.039606|2.139614|1.956999|0.049280|1.930057|2.850032|2.628641|2.369763|2.359457|1.555923|1.555988|1.480018|1.450228|1.491405|1.568199|1.603925|3.243075|2.722331|0.057358|2.220754|2.674271|3.080254|3.996626|4.840352|7.413625|8.872276|5.570920|4.195588|4.470526|0.087924|2.730922|4.211310|4.683631|17.610760|1.751743|1.624884|1.452587|1.447784|1.598139|0.057949|0.050777|0.058834|0.067476|0.056986|0.041780|0.040915|0.039734|0.038484|0.043923|0.045827|0.059891|0.058853|0.079823|0.115157|0.232047|0.110245|0.110821|0.146919|0.302493|0.302461|0.500000| |4.042091|4.225036|5.563475|0.149961|4.455136|5.387826|4.413617|4.274657|5.016720|3.348356|2.963668|2.936625|2.534254|2.277953|2.281742|2.561214|4.543569|12.616564|0.236016|7.546304|5.123534|3.849740|3.111167|2.576668|2.239772|2.217671|2.522285|3.056499|4.957866|0.094037|4.878495|10.320656|2.379250|1.901166|17.617795|8.887253|6.918609|7.245732|9.021374|0.126502|0.108830|0.092316|0.110993|0.097786|0.104477|0.081396|0.088527|0.067484|0.057471|0.068756|0.169419|0.262442|0.100670|0.069523|0.055905|0.068932|0.067281|0.058280|0.051637|0.051069|0.049383|0.500000| |3.178199|3.651161|5.080780|0.136079|5.156076|6.493964|5.629561|5.484204|6.177983|3.938613|3.152538|2.937125|2.454343|2.236558|2.317590|2.708534|4.393514|8.725044|0.138700|6.358476|4.246272|3.601696|2.846682|2.477561|2.121162|2.020189|2.197883|2.618998|3.904202|0.072517|3.560665|6.531868|2.013666|1.742720|8.692102|17.595656|8.636555|5.689150|5.639243|0.090705|0.086872|0.075382|0.096876|0.090978|0.123632|0.099574|0.087560|0.063739|0.058479|0.075118|0.197318|0.188970|0.103971|0.069977|0.054088|0.057189|0.056023|0.050375|0.046983|0.046430|0.046277|0.217038|0.500000| |3.669119|4.331710|6.662441|0.199493|6.950866|7.391582|6.499592|7.007122|9.006945|5.964225|4.331249|3.954972|3.104285|2.750107|2.852947|3.467612|5.233179|9.309896|0.143451|5.468802|3.899468|3.348477|2.687249|2.357056|2.031515|1.938186|2.102358|2.484825|3.696925|0.069176|3.334123|6.171634|1.935480|1.681251|8.811607|17.580597|8.758834|6.196526|6.749315|0.099749|0.104308|0.085138|0.107454|0.110990|0.207995|0.141664|0.120806|0.078901|0.069948|0.094191|0.166079|0.141792|0.096585|0.066620|0.052002|0.054107|0.054780|0.048578|0.044883|0.045360|0.044717|0.174333|0.303439|0.500000| |2.689967|2.833438|3.603050|0.105832|3.410644|4.192732|3.840341|3.931551|4.423965|3.184561|2.687479|2.667751|2.272131|2.023680|2.024707|2.289705|4.043089|5.813056|0.105624|3.880933|2.996359|2.583402|2.188001|1.939096|1.723208|1.680613|1.829782|2.104212|3.171785|0.061337|2.782547|5.376270|1.736776|1.487905|6.284401|8.729680|17.602378|8.720436|5.816360|0.077838|0.076728|0.064819|0.073613|0.072039|0.103984|0.082439|0.082911|0.060986|0.051049|0.061875|0.107725|0.119363|0.072120|0.053964|0.044382|0.049852|0.048680|0.043970|0.040582|0.040028|0.039463|0.175344|0.223037|0.177379|0.500000| |2.821464|3.007209|3.911003|0.122117|3.797307|4.447690|4.183964|4.520220|5.256753|4.046563|3.275005|3.264158|2.674826|2.328335|2.322500|2.678144|4.563567|5.701797|0.101638|3.574640|2.805449|2.458296|2.086583|1.866954|1.660007|1.610713|1.740606|1.992609|2.971728|0.057402|2.582573|4.935423|1.647455|1.430476|5.842530|8.748684|17.601377|8.676258|6.084967|0.078737|0.082957|0.067685|0.075744|0.078584|0.141943|0.104957|0.104971|0.071180|0.057575|0.071465|0.101665|0.101908|0.069434|0.052314|0.042967|0.046618|0.046604|0.041875|0.038684|0.038754|0.038102|0.140168|0.188355|0.227457|0.304597|0.500000| |3.117718|3.039428|3.700849|0.112843|3.164834|3.780797|3.365107|3.444198|3.998039|2.958876|2.673880|2.806102|2.445311|2.132053|2.065098|2.269841|4.304536|6.111512|0.122052|3.733202|3.020136|2.520786|2.185051|1.903494|1.716070|1.715110|1.907435|2.184212|3.416433|0.067864|3.019009|6.253019|1.858766|1.524173|6.785917|6.102866|8.735483|17.577678|8.823779|0.093728|0.091194|0.074053|0.077321|0.075525|0.096373|0.074086|0.089137|0.067486|0.051766|0.059701|0.095349|0.114476|0.067597|0.051764|0.043819|0.053755|0.053006|0.046765|0.041703|0.041450|0.039942|0.200910|0.140170|0.134941|0.227598|0.178039|0.500000| 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