Version2.1 2021-01-13T01:17:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2c(c1)n(c(c2C[NH2+]C3CCCCCCC3)C(=O)[O-])Cc4ccccc4F C09531905 RHF 6-31G(d) (6D,7F) COc1ccc2c(c1)n(c(c2C[NH2+]C3CCCCCCC3)C(=O)[O-])Cc4ccccc4F C01[X(C26H31F1N2O3)] 183 C1 542 COc1ccc2c(c1)n(Cc1ccccc1F)c(c2C[NH2+]C1CCCCCCC1)C(=O)[O-] COc1ccc2c(c1)n(Cc1ccccc1F)c(c2C[NH2+]C1CCCCCCC1)C(=O)[O-] COc1ccc2c(C[NH2+]C3CCCCCCC3)c(n(Cc4ccccc4F)c2c1)C([O-])=O InChIKey=WPBUWUYKYAPKEN-UHFFFAOYSA-N InChI=1S/C26H31FN2O3/c1-32-20-13-14-21-22(16-28-19-10-5-3-2-4-6-11-19)25(26(30)31)29(24(21)15-20)17-18-9-7-8-12-23(18)27/h7-9,12-15,19,28H,2-6,10-11,16-17H2,1H3,(H,30,31) InChI=1/C26H31FN2O3/c1-32-20-13-14-21-22(16-28-19-10-5-3-2-4-6-11-19)25(26(30)31)29(24(21)15-20)17-18-9-7-8-12-23(18)27/h7-9,12-15,19,28H,2-6,10-11,16-17H2,1H3,(H,30,31)/f/h28H COc1ccc2c(c1)n(c(c2C[NH2+]C3CCCCCCC3)C(=O)[O-])Cc4ccccc4F C01[X(C26H31F1N2O3)] 183 C01 542 COc1ccc2c(c1)n(Cc1ccccc1F)c(c2C[NH2+]C1CCCCCCC1)C(=O)[O-] CO[C]1[CH][CH][C]2[C]([CH]1)N(C[C]1[CH][CH][CH][CH][C]1F)C(=[C]2C[NH2]C1CCCCCCC1)[C]([O])=O CO[C]1[CH][CH][C]2[C]([CH]1)N(C[C]3[CH][CH][CH][CH][C]3F)C(=C2C[NH2]C4CCCCCCC4)C([O])=O InChIKey=FXRABABLCLCYPV-UHFFFAOYSA-N InChI=1S/C26H31FN2O3/c1-32-20-13-14-21-22(16-28-19-10-5-3-2-4-6-11-19)25(26(30)31)29(24(21)15-20)17-18-9-7-8-12-23(18)27/h7-9,12-15,19H,2-6,10-11,16-17,28H2,1H3 InChI=1/C26H31FN2O3/c1-32-20-13-14-21-22(16-28-19-10-5-3-2-4-6-11-19)25(26(30)31)29(24(21)15-20)17-18-9-7-8-12-23(18)27/h7-9,12-15,19H,2-6,10-11,16-17,28H2,1H3 3237.1580440007 -1435.5285393 1-A 18693.2457 117 425 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.30106 -20.57770 -20.48224 -20.47272 -15.66730 -15.59848 -11.32158 -11.31051 -11.30802 -11.30126 -11.28860 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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| 14.1452 15.3253 26.5710 30.9279 48.6322 56.2595 62.9728 74.6797 81.5267 97.3305 116.7847 135.8842 145.4714 159.7407 166.9728 192.2843 215.3690 222.1318 224.9602 246.9084 258.3169 275.0989 283.8531 293.7395 305.9625 313.8734 322.8630 352.1600 365.7563 387.9110 403.3951 405.6335 431.5797 443.9225 467.7461 477.7090 492.9277 495.2820 502.3472 525.7787 531.5580 571.1816 585.1995 607.4777 627.3151 643.7772 664.4839 682.2070 695.6715 717.7815 749.1790 759.0455 804.1089 811.7359 834.6928 835.3541 851.6966 856.4431 861.9510 872.9649 891.5270 894.2010 898.6477 904.7017 914.8822 928.0596 959.5640 967.1258 981.8708 989.7801 997.4519 1018.0982 1049.7510 1057.3872 1062.6148 1069.4429 1078.0330 1088.8497 1091.2869 1111.6677 1120.4868 1125.1752 1141.3414 1143.1395 1181.5132 1186.2163 1192.9238 1197.7357 1209.9503 1219.6200 1225.8797 1239.5976 1252.0128 1263.5009 1273.3534 1292.4988 1293.4975 1308.0909 1316.5085 1330.2322 1340.3729 1344.2727 1349.2734 1374.3107 1376.7984 1380.5135 1391.7084 1408.2912 1418.8204 1423.9465 1434.5558 1439.5101 1460.2052 1482.8582 1491.2191 1494.8536 1500.8399 1517.2934 1519.4619 1531.8359 1533.9107 1540.3585 1542.5194 1545.5900 1548.1876 1558.8036 1573.3098 1600.4176 1615.9007 1623.0323 1629.7714 1630.4715 1635.0807 1639.0674 1646.2626 1646.5307 1648.6144 1649.8052 1652.0324 1655.8962 1660.1985 1661.3352 1674.8436 1675.3909 1675.9563 1719.3578 1763.5695 1790.4006 1820.2170 1826.3136 1845.7987 1920.6758 2674.3378 3183.6762 3185.0472 3190.0410 3194.7018 3202.1851 3203.2005 3218.2008 3222.8278 3230.1545 3234.1169 3238.4121 3243.1618 3245.5537 3260.1431 3263.1851 3277.7217 3279.4610 3301.7066 3302.2687 3322.0710 3334.9930 3350.1439 3363.8470 3381.3785 3393.0099 3398.5355 3406.7496 3408.9560 3437.8463 3728.5941 5.8282 3.9315 4.8350 4.7096 3.5747 4.5548 5.4053 4.9381 7.8455 6.8942 2.6814 2.9907 4.8597 4.1770 5.5741 5.0717 4.2554 2.2429 2.7196 2.9390 2.0541 3.4600 1.9425 2.8463 4.5343 2.9830 3.2579 5.0955 3.9499 2.6212 4.6544 2.9442 3.3905 3.0450 3.2188 3.6309 3.9483 2.5685 3.3003 1.7646 3.6610 5.1685 4.3190 4.4839 4.5683 5.5648 5.3862 4.6338 4.5405 3.5956 4.1806 2.1165 4.9294 4.9971 2.1232 3.8109 1.4942 1.9450 3.9082 2.2219 1.9884 2.1488 1.6993 3.7565 4.9662 2.3886 1.9029 2.1801 1.5094 1.5282 2.8144 2.1154 1.3576 2.6136 1.6287 2.5685 2.0536 1.8796 1.7776 3.1977 2.7092 1.3987 2.0281 2.0416 2.3608 2.3201 2.7554 2.3340 2.7671 1.9136 1.1373 1.8312 1.7621 5.0036 2.2009 1.9039 1.2658 2.0569 1.6683 1.2251 2.2658 1.1515 1.8613 3.2395 1.3561 1.2392 1.8868 1.3100 2.4072 1.1653 1.6674 1.4675 1.2381 3.4010 1.6382 1.3599 1.8058 1.3025 1.3321 1.4797 1.6053 1.5099 1.4882 1.6804 1.7093 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12.1888 17.0189 13.8559 24.5130 11.9321 9.2403 3.6054 5.1106 14.2974 0.4491 13.9927 3.1316 0.0267 2.2976 3.7450 41.3736 27.5530 22.9029 4.8454 29.3715 48.9823 8.5200 10.9857 61.5781 16.2209 22.0049 7.8879 49.4748 25.5590 1.9947 0.3894 8.1707 3.4566 6.2433 1.6854 14.8925 10.1737 15.7702 28.5933 2.2092 1.6999 7.4295 10.0083 1.6009 43.3015 9.6684 5.0800 34.8135 5.6281 6.6521 23.5681 62.6043 17.1550 31.2220 3.0142 5.8652 40.7618 46.0828 63.4149 2.5472 69.8695 70.7751 7.2327 3.8587 284.2812 31.5134 419.6565 4.7810 43.6733 102.4120 3.0231 324.8300 32.8962 6.9085 30.6263 7.3495 15.7687 11.1672 52.1877 6.3710 4.1816 18.9842 2.8624 4.0554 52.5638 123.2871 42.9392 38.0961 2.4161 63.2540 5.1204 131.6511 98.9538 21.2763 26.8254 30.0191 3.7361 18.0779 212.6056 51.7738 14.4003 89.7188 21.1115 192.3425 16.8653 18.7834 10.3895 169.4190 124.9810 735.3237 1030.4987 26.2730 2.9348 53.7137 21.3679 9.0459 68.0748 18.2610 53.4013 36.3775 26.6423 39.3791 37.2716 78.8472 54.8400 60.3630 18.3908 55.4756 29.3570 18.4700 51.3019 9.9972 28.4426 5.1221 26.1432 11.3570 10.2472 22.0830 4.1004 2.0057 22.8732 1.3616 0.2759 2.4729 2.7290 0.8491 4.4211 1.0922 1.9088 0.4183 0.8315 1.2182 0.9161 3.1081 0.6143 0.9173 0.6159 1.9173 0.2362 0.1889 0.1634 1.5829 0.8993 0.6675 2.2557 4.0541 1.0803 0.8406 2.9245 0.6208 1.0918 0.2723 0.9162 0.7357 0.7709 2.8312 0.3367 0.2296 1.5271 1.1256 0.5292 1.5900 1.8913 0.4600 5.2563 2.2515 4.8978 5.6794 4.1335 1.2163 1.3393 2.4170 20.0760 9.3975 6.3087 4.9764 3.0951 1.2719 5.7077 5.5415 9.8466 0.2803 1.9676 2.6978 4.0335 0.6649 1.8735 0.9404 3.0158 2.5789 2.1702 12.6862 3.7398 1.3442 17.8191 1.2971 4.8729 9.0109 2.6525 1.0977 1.6101 5.3379 0.7737 8.3008 24.3387 19.7979 5.7491 5.9285 1.4432 2.4783 6.2356 2.2837 4.8426 8.3167 21.5529 5.9499 3.0659 4.9948 5.0644 3.8542 2.5048 18.9262 3.4813 9.6847 8.0273 4.0195 0.6477 7.1220 8.5490 16.5355 13.6856 16.1540 3.9160 23.0192 65.9124 11.9136 10.9911 9.9346 3.8416 1.8663 3.1167 27.5630 4.6799 7.0841 36.8856 36.5867 20.1059 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0.4130 0.4132 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 6 8 6 6 6 6 6 6 7 6 6 6 7 1 1 6 6 6 6 6 6 6 6 6 8 8 6 6 6 6 6 6 6 9 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 9081.5399 25536.1896 31655.5815 0.99999 0.00541 -0.00070 -0.00541 0.99998 -0.00310 0.00069 0.00310 0.99999 1 0.00954 0.00339 0.00274 0.19873 0.07067 0.05701 20.35 22.05 38.23 44.50 69.97 80.94 90.60 107.45 117.30 140.04 168.03 195.51 209.30 229.83 240.24 276.65 309.87 319.60 323.67 355.25 371.66 395.81 408.40 422.63 440.21 451.59 464.53 506.68 526.24 558.12 580.40 583.62 620.95 638.71 672.98 687.32 709.21 712.60 722.77 756.48 764.79 821.80 841.97 874.02 902.57 926.25 956.04 981.54 1000.92 1032.73 1077.90 1092.10 1156.93 1167.91 1200.94 1201.89 1225.40 1232.23 1240.16 1256.00 1282.71 1286.56 1292.95 1301.66 1316.31 1335.27 1380.60 1391.48 1412.69 1424.07 1435.11 1464.82 1510.36 1521.34 1528.87 1538.69 1551.05 1566.61 1570.12 1599.44 1612.13 1618.88 1642.14 1644.72 1699.93 1706.70 1716.35 1723.27 1740.85 1754.76 1763.77 1783.50 1801.37 1817.90 1832.07 1859.62 1861.05 1882.05 1894.16 1913.91 1928.50 1934.11 1941.30 1977.33 1980.91 1986.25 2002.36 2026.22 2041.37 2048.74 2064.01 2071.13 2100.91 2133.50 2145.53 2150.76 2159.37 2183.05 2186.17 2203.97 2206.96 2216.23 2219.34 2223.76 2227.50 2242.77 2263.64 2302.64 2324.92 2335.18 2344.88 2345.88 2352.52 2358.25 2368.60 2368.99 2371.99 2373.70 2376.91 2382.47 2388.66 2390.29 2409.73 2410.51 2411.33 2473.77 2537.38 2575.99 2618.89 2627.66 2655.69 2763.42 3847.78 4580.60 4582.57 4589.76 4596.46 4607.23 4608.69 4630.27 4636.93 4647.47 4653.17 4659.35 4666.19 4669.63 4690.62 4695.00 4715.91 4718.41 4750.42 4751.23 4779.72 4798.31 4820.11 4839.83 4865.05 4881.78 4889.73 4901.55 4904.73 4946.29 5364.62 0.575646 0.602782 0.603726 0.514968 -1434.952893 -1434.925757 -1434.924813 -1435.013571 2.976958D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE COc1ccc2c(c1)n(c(c2C[NH2+]C3CCCCCCC3)C(=O)[O-])Cc4ccccc4F C09531905 RHF 6-31G(d) (6D,10F) C1 438.231871 |X|Y|Z| 115.678403 65.793729 31.350441 62.024054 26 6 7 24 2 |36.858105| |13.641927|73.516695| |7.990983|25.028298|36.858105| |6.737272|13.951070|13.557216|36.858105| |4.532253|9.235298|7.903583|13.838783|36.858105| |3.798317|8.201595|6.858928|7.942927|13.674647|36.858105| |4.003784|9.448480|8.019061|6.901554|7.912641|13.595026|36.858105| |5.277670|14.657220|13.815670|7.853809|6.779502|7.803589|13.674451|36.858105| |3.143974|7.042771|5.152571|4.630869|5.356775|8.469696|13.893766|7.610284|53.358707| |2.743583|5.821502|4.172441|4.152685|5.236066|8.435496|8.514590|5.286817|18.768420|36.858105| |2.952314|6.128405|4.553862|5.007984|7.289242|13.246563|8.386537|5.280163|11.581078|13.959421|36.858105| |2.558821|5.057873|3.564360|4.101953|5.800591|7.318703|5.119869|3.816418|7.009477|7.409112|12.716727|36.858105| |2.265277|4.435497|3.022679|3.367708|4.391059|5.262926|4.161973|3.246815|5.971513|6.105269|7.775836|12.750624|53.358707| |2.177108|4.322002|2.925836|3.136864|3.962824|4.986864|4.231448|3.252279|6.559236|7.191496|7.692533|9.684698|24.373759|0.500000| |2.373041|4.646433|3.174278|3.550689|4.604449|5.401188|4.282576|3.381875|5.958095|5.720280|7.226307|9.242841|25.754842|0.314594|0.500000| |1.970705|3.767169|2.487343|2.770623|3.445789|3.818136|3.156404|2.604385|4.471168|4.214003|4.954942|7.410027|17.340390|0.252002|0.254431|36.858105| |1.778517|3.402265|2.203709|2.383018|2.844946|3.165257|2.771017|2.332775|4.026609|3.679916|3.955255|4.997215|10.700819|0.208656|0.195574|12.427813|36.858105| |1.567443|2.960175|1.881408|2.024684|2.354850|2.547806|2.274315|1.968374|3.273816|2.877021|3.044142|3.715889|6.721080|0.133109|0.126306|7.259770|12.384225|36.858105| |1.496869|2.816316|1.783476|1.920997|2.227742|2.396907|2.140921|1.860315|3.079747|2.700614|2.856803|3.523903|5.839539|0.116755|0.105088|6.162603|7.288449|12.349543|36.858105| |1.476500|2.743581|1.729460|1.887765|2.180799|2.280964|2.014108|1.772441|2.828673|2.436974|2.646377|3.294431|5.151815|0.098168|0.094365|5.342880|5.324337|7.306162|12.401354|36.858105| |1.621713|2.997451|1.905513|2.124764|2.493386|2.558239|2.197488|1.927477|3.022764|2.612757|2.952359|3.836083|5.800517|0.104268|0.105541|6.166286|5.144925|5.783540|7.198502|12.401327|36.858105| |1.749156|3.224832|2.062380|2.332017|2.763082|2.793706|2.359241|2.067757|3.194256|2.753269|3.189873|4.186105|6.660036|0.112682|0.127439|7.283740|5.836276|5.956806|5.786599|7.304414|12.344926|36.858105| |1.997543|3.734759|2.446176|2.806068|3.466741|3.567836|2.899466|2.470344|3.909232|3.475706|4.227206|6.036639|10.489825|0.155813|0.198447|12.454161|7.293732|5.801326|5.134770|5.317885|7.295176|12.385266|36.858105| |2.253228|4.644309|3.137438|3.117594|3.733982|5.078495|5.132767|3.789839|10.061620|12.454666|7.374900|5.975258|7.918143|0.221682|0.143141|4.319592|4.025248|3.152692|2.977970|2.580718|2.664940|2.728820|3.350802|36.858105| |2.126378|4.395811|2.890045|2.782064|3.183524|4.143471|4.502351|3.530019|8.912473|8.061132|5.261012|4.364330|5.800853|0.149711|0.108935|3.434889|3.328142|2.741247|2.624102|2.285047|2.319022|2.343678|2.772929|15.725059|73.516695| |2.075818|4.175269|2.790911|2.869929|3.484078|4.487256|4.181984|3.213159|7.163845|8.135900|6.650207|6.685813|10.278184|0.350435|0.169396|5.641002|5.319339|3.952779|3.698819|3.079902|3.141006|3.194541|3.984523|15.156814|15.307830|73.516695| |2.868659|6.416761|4.291259|3.669657|3.905845|5.209584|7.631336|6.200388|17.716537|7.453719|5.200072|3.754813|4.646026|0.105464|0.094749|2.718354|2.552615|2.137253|2.020722|1.848417|1.935614|2.019398|2.392200|6.052244|11.726776|7.766183|36.858105| |2.714340|5.983944|3.828609|3.273288|3.394311|4.257374|5.733859|5.201565|10.371712|5.507316|4.215130|3.236813|4.261008|0.096178|0.089935|2.536712|2.464535|2.073034|1.922327|1.749835|1.813266|1.914192|2.250834|4.912297|9.461356|6.824175|12.548296|36.858105| |2.349775|4.982326|3.166395|2.852966|3.035919|3.755172|4.549568|3.992995|8.074428|5.152326|3.967862|3.195652|4.454388|0.103227|0.094752|2.670276|2.688937|2.247139|2.048146|1.831267|1.869593|1.978682|2.324085|5.164299|10.042964|7.413785|7.507054|13.669247|36.858105| |2.177633|4.521818|2.782494|2.523832|2.629954|3.096581|3.602758|3.344704|5.785741|3.837433|3.198675|2.702761|3.853559|0.087066|0.083304|2.389495|2.461432|2.098243|1.895435|1.700907|1.723550|1.834014|2.120386|3.865494|7.314113|5.988392|4.992656|7.868057|13.773262|36.858105| |2.259658|4.696941|2.798479|2.480964|2.500391|2.853623|3.361000|3.318334|5.084486|3.257815|2.820700|2.393193|3.341737|0.073418|0.072494|2.101207|2.135584|1.849924|1.685178|1.536836|1.567205|1.670428|1.912517|3.145453|5.879316|4.929897|4.408597|6.796289|7.938629|13.731545|36.858105| |2.570797|5.489400|3.211875|2.732207|2.678902|3.043256|3.745278|3.903170|5.511251|3.329516|2.894265|2.402227|3.248027|0.070548|0.070056|2.029046|2.013584|1.745932|1.610019|1.484902|1.530266|1.627406|1.866300|3.077002|5.743087|4.732049|4.980488|7.836952|6.882889|7.948957|13.786397|36.858105| |2.860701|6.359711|3.841017|3.162828|3.113586|3.667051|4.853368|5.056239|7.403741|4.100735|3.436712|2.735649|3.595587|0.078662|0.076718|2.198802|2.139255|1.834017|1.704731|1.572595|1.632897|1.729395|2.005212|3.640424|6.848953|5.370684|7.506518|13.790769|8.064729|6.965818|8.019040|13.804080|36.858105| |3.248113|7.474907|4.314106|3.363849|3.172703|3.627200|4.909683|5.743199|6.884259|3.741933|3.250765|2.593182|3.310640|0.071159|0.070014|2.044255|1.955580|1.693484|1.594006|1.489519|1.558839|1.643927|1.893987|3.233023|6.018835|4.814936|6.696180|8.116870|5.303068|4.677571|5.318607|8.203177|14.234054|97.533100| |17.639474|17.025292|5.871860|4.907408|3.627373|3.186901|3.423822|4.433491|3.814588|2.445594|2.572280|2.251131|2.755171|0.054522|0.058712|1.780869|1.627478|1.447109|1.384489|1.364187|1.485822|1.592924|1.797927|2.053919|3.495212|3.364723|2.645461|2.544914|2.208004|2.074167|2.184799|2.503790|2.741729|7.108317|0.500000| |17.552545|16.435795|7.010848|6.742344|4.600504|3.749080|3.810636|4.773448|4.102281|2.683862|2.931643|2.583057|3.061422|0.059720|0.064645|1.972867|1.761714|1.560065|1.503980|1.494869|1.652974|1.771700|2.013280|2.211586|3.697647|3.644141|2.719132|2.512559|2.192284|2.016245|2.062590|2.315872|2.588850|6.548973|0.300149|0.500000| |17.551290|16.434914|7.002707|6.741781|4.599739|3.747374|3.805732|4.767159|4.094793|2.681056|2.930452|2.580386|3.153307|0.061164|0.068360|2.021749|1.826404|1.607759|1.523550|1.507221|1.661456|1.814536|2.076465|2.209855|3.671992|3.666052|2.710065|2.616793|2.312100|2.167268|2.245780|2.514843|2.743618|6.791877|0.300162|0.298985|0.500000| |7.518797|12.531536|8.824998|17.768571|8.993475|5.659314|4.970824|5.611404|5.001799|3.400686|4.043880|3.557698|4.079471|0.076826|0.087714|2.554844|2.207313|1.907153|1.817251|1.810251|2.048081|2.253955|2.658871|2.678166|4.292417|4.477109|3.046342|2.782960|2.475567|2.239269|2.221798|2.427626|2.735234|6.551793|0.146702|0.225991|0.226251|0.500000| |3.934323|7.458286|5.634813|8.990278|17.694414|8.837403|5.613303|4.901800|5.886715|4.529643|6.430363|6.112075|6.245011|0.109748|0.132733|3.721032|2.976377|2.476243|2.353202|2.348139|2.756294|3.105026|3.940898|3.435264|5.175233|5.954611|3.285828|2.912974|2.690317|2.370994|2.244684|2.360655|2.677194|6.068568|0.089398|0.113856|0.113841|0.218478|0.500000| |4.893638|13.563836|9.000834|5.625277|4.909512|5.561646|8.774028|17.789846|9.069563|4.581795|4.290178|3.234913|3.875143|0.080664|0.082012|2.332675|2.136424|1.824808|1.727528|1.639141|1.759868|1.872416|2.199912|3.508076|6.069200|5.244878|6.596128|5.783525|4.176487|3.528670|3.622798|4.510758|6.153095|18.020683|0.121951|0.120225|0.120238|0.124026|0.106765|0.500000| |2.688796|5.192873|3.659633|4.472038|6.585289|7.042873|4.719037|3.708494|5.964070|5.563630|8.935755|17.656325|12.254880|0.182921|0.218293|6.633202|4.453903|3.467706|3.310995|3.248268|3.962053|4.483139|6.579768|4.498832|6.274725|8.640388|3.290583|2.889632|2.816644|2.442030|2.212093|2.239433|2.522698|5.475925|0.064998|0.076329|0.076220|0.110416|0.220386|0.086331|0.500000| |2.338490|4.590018|3.155653|3.543631|4.712529|5.724701|4.404798|3.390092|6.279086|6.535995|8.845483|17.629295|12.561088|0.234339|0.182068|7.018855|4.799903|3.733519|3.748438|3.499794|4.052636|4.111532|5.506214|5.977556|7.916838|12.356766|3.529397|2.991622|2.955626|2.502034|2.216001|2.224062|2.530749|5.438613|0.057811|0.066275|0.064701|0.087044|0.137217|0.081812|0.301236|0.500000| |1.897030|3.625843|2.383811|2.638211|3.258575|3.627599|3.032761|2.505580|4.348221|4.123296|4.746266|7.154501|12.646909|0.221943|0.182072|17.631150|8.891430|6.640401|6.854821|5.925439|6.822451|6.617668|8.852866|4.370885|6.233387|10.310048|2.668273|2.438713|2.540373|2.254368|1.987196|1.932506|2.109264|4.451224|0.047774|0.053213|0.053486|0.067659|0.097306|0.062657|0.173633|0.224359|0.500000| |1.767347|3.419581|2.216704|2.352672|2.794596|3.205915|2.877004|2.395055|4.331414|4.041198|4.109731|4.949236|10.265464|0.244128|0.180910|9.002329|17.554943|8.912684|6.402957|4.530986|4.258415|4.487149|5.454453|4.760324|6.947931|12.027015|2.775736|2.676385|2.976704|2.688552|2.284541|2.135717|2.279899|4.637021|0.045075|0.048482|0.050000|0.059873|0.079275|0.061427|0.116291|0.135608|0.217808|0.500000| |1.816766|3.471176|2.242375|2.421070|2.865026|3.156542|2.781837|2.364143|3.994448|3.558146|3.823756|4.589720|9.706354|0.184034|0.209016|8.859052|17.493601|8.850366|5.417767|4.361212|4.330549|5.272853|6.674030|3.763661|5.597613|8.367408|2.540854|2.514201|2.773005|2.585014|2.245312|2.096902|2.200700|4.491054|0.046191|0.049565|0.052289|0.062421|0.082888|0.060205|0.116776|0.116149|0.174350|0.303588|0.500000| |1.488539|2.818926|1.778425|1.886496|2.163803|2.356407|2.151026|1.874343|3.133486|2.718461|2.789504|3.258210|5.756701|0.119887|0.110867|5.473360|9.030832|17.558729|8.851678|5.561770|4.407026|4.471051|4.442584|3.044601|4.814911|6.708680|2.085832|2.051144|2.257565|2.132600|1.869282|1.744277|1.815983|3.745168|0.038401|0.040959|0.042328|0.049296|0.062264|0.048769|0.083592|0.090776|0.142121|0.230245|0.211621|0.500000| |1.539546|2.880610|1.819875|1.971309|2.274564|2.407302|2.142574|1.879417|3.027470|2.606488|2.797952|3.383748|5.947448|0.113182|0.116997|6.206164|8.771934|17.578201|8.805906|7.169620|5.906338|6.697374|5.890161|2.766628|4.314301|5.941221|1.979466|1.934878|2.083319|1.969424|1.758736|1.663717|1.735112|3.622752|0.039511|0.042559|0.044161|0.052123|0.067099|0.048372|0.090904|0.092486|0.151594|0.175406|0.221815|0.306913|0.500000| |1.551781|2.940932|1.874386|2.012971|2.354239|2.576493|2.299185|1.973521|3.352132|2.997613|3.145469|3.931137|6.403054|0.132383|0.110132|6.594129|7.114547|8.760615|17.519625|8.783361|6.496712|5.151507|5.008484|3.389015|5.260705|7.703300|2.188751|2.049992|2.176605|1.983344|1.751873|1.680519|1.797922|3.784254|0.039793|0.043411|0.043588|0.052451|0.068645|0.050825|0.099572|0.121236|0.232987|0.193216|0.141751|0.195343|0.174893|0.500000| |1.385240|2.602398|1.632598|1.740100|1.987849|2.135268|1.942215|1.705893|2.806549|2.419496|2.505589|2.976815|4.796765|0.098449|0.088391|4.623255|5.564321|8.885518|17.549598|8.998541|5.416187|4.474669|3.990082|2.695201|4.331285|5.822559|1.875552|1.797747|1.923838|1.797236|1.601578|1.524136|1.602997|3.371317|0.035811|0.038606|0.039081|0.045860|0.057781|0.044415|0.077760|0.087757|0.139518|0.146564|0.124548|0.233925|0.196651|0.306476|0.500000| |1.405551|2.607451|1.634566|1.774421|2.032100|2.123001|1.892679|1.675661|2.663751|2.275685|2.444038|2.986180|4.480789|0.087212|0.081894|4.344964|4.257830|5.434912|8.930252|17.526680|8.935467|5.435009|4.257736|2.422498|3.869978|5.065516|1.757030|1.654148|1.721299|1.597375|1.448906|1.405562|1.490725|3.194169|0.036203|0.039684|0.039643|0.047373|0.060465|0.043251|0.081633|0.089988|0.138541|0.106896|0.098935|0.126297|0.144108|0.213913|0.224280|0.500000| |1.407198|2.600054|1.626378|1.771148|2.021703|2.092960|1.862803|1.657860|2.600496|2.204834|2.382617|2.891644|4.532341|0.086348|0.085934|4.507474|4.732030|6.737950|8.894352|17.497927|8.899931|6.734967|4.722276|2.315532|3.683730|4.827306|1.713467|1.641643|1.723122|1.619830|1.471869|1.417580|1.488303|3.170509|0.036243|0.039464|0.040082|0.047501|0.060395|0.042765|0.080102|0.083167|0.129380|0.111169|0.114488|0.150177|0.212162|0.173620|0.218187|0.304822|0.500000| |1.701267|3.161925|2.026559|2.267299|2.696845|2.792794|2.373490|2.058861|3.274379|2.871831|3.281585|4.409214|6.346445|0.114109|0.110639|6.596163|5.010765|5.148556|6.502186|8.792505|17.509757|8.756608|7.134667|2.926482|4.482347|6.164035|2.075744|1.912106|1.955049|1.778987|1.613431|1.585385|1.709482|3.685964|0.043134|0.048425|0.048083|0.060269|0.082994|0.051951|0.125808|0.136145|0.231241|0.120410|0.114545|0.112291|0.135669|0.189039|0.137502|0.214303|0.173755|0.500000| |1.551527|2.839749|1.788021|1.995690|2.306153|2.323119|2.010807|1.790467|2.738458|2.320045|2.610162|3.283986|4.762910|0.086736|0.088839|4.626386|3.997256|4.473164|5.414039|8.991080|17.547204|8.880199|5.573091|2.340935|3.678574|4.778662|1.769374|1.659846|1.699068|1.575821|1.446821|1.419398|1.510034|3.267917|0.039615|0.044144|0.044170|0.054080|0.071063|0.045570|0.096074|0.095989|0.138953|0.095234|0.097905|0.100753|0.130717|0.137345|0.125063|0.224203|0.218237|0.306279|0.500000| |1.769679|3.221365|2.047875|2.343106|2.748152|2.693841|2.268685|2.018608|3.013676|2.544471|2.972588|3.800638|5.676086|0.096619|0.111869|5.473669|4.461580|4.474824|4.409841|5.565781|8.840020|17.552461|9.014804|2.466063|3.804480|4.985736|1.908908|1.809842|1.850117|1.722721|1.587665|1.558456|1.653707|3.569096|0.044712|0.050064|0.051265|0.063938|0.087337|0.050678|0.117931|0.102594|0.141151|0.100603|0.117646|0.099773|0.139523|0.112239|0.100845|0.126343|0.150550|0.194467|0.233854|0.500000| |1.650814|3.041705|1.927875|2.151181|2.505124|2.545713|2.194406|1.939809|2.991805|2.550077|2.880797|3.617564|5.949873|0.104115|0.118204|6.264284|5.980832|6.752819|5.936365|7.178400|8.803081|17.589515|8.787906|2.561410|3.958032|5.320583|1.918371|1.847658|1.932375|1.814405|1.651953|1.594796|1.676626|3.563413|0.042019|0.046107|0.047725|0.057832|0.076798|0.049225|0.104706|0.097501|0.152230|0.124831|0.158107|0.140020|0.247013|0.136318|0.131146|0.144132|0.211863|0.175081|0.195856|0.306936|0.500000| |2.061586|3.841896|2.510902|2.887833|3.531804|3.575512|2.921341|2.515997|3.885162|3.376215|4.085240|5.394488|9.576234|0.144430|0.213477|8.873965|6.661999|5.223899|4.311903|4.347655|5.416387|8.848475|17.493361|3.190942|4.732356|6.572282|2.383237|2.287577|2.374033|2.193695|1.987648|1.931201|2.055510|4.346935|0.051479|0.057153|0.060299|0.076365|0.111206|0.062198|0.164670|0.129056|0.174038|0.139921|0.198114|0.116677|0.155061|0.114295|0.097493|0.098771|0.113994|0.141991|0.124657|0.212201|0.221394|0.500000| |2.154515|4.010647|2.654347|3.128189|3.966303|3.959432|3.105681|2.640577|4.082239|3.612568|4.607947|6.909944|9.849999|0.145885|0.182586|8.944314|5.433469|4.467581|4.258244|4.541397|6.441291|8.945361|17.552450|3.346750|4.913922|6.853537|2.457407|2.269798|2.293711|2.072933|1.886680|1.868166|2.028876|4.369215|0.053370|0.061007|0.062103|0.082661|0.131042|0.064444|0.241000|0.173801|0.215585|0.124876|0.139443|0.100276|0.123534|0.120468|0.095237|0.107254|0.111331|0.194726|0.147600|0.230159|0.175766|0.303987|0.500000| |2.504337|5.413642|3.542206|3.158690|3.419851|4.466065|5.774377|4.720506|12.609206|7.122489|4.817209|3.653884|4.574680|0.106763|0.090801|2.722205|2.582763|2.178061|2.081631|1.885071|1.951609|2.004420|2.352035|6.915693|15.799349|8.453435|17.745513|8.929016|6.924112|4.665384|3.979931|4.261332|5.805176|11.662891|0.064693|0.067010|0.065947|0.074553|0.082591|0.136071|0.087431|0.098990|0.075556|0.079432|0.070281|0.059415|0.055429|0.063311|0.053963|0.050082|0.048290|0.058409|0.049435|0.052238|0.052913|0.064203|0.066673|0.500000| |3.103092|7.112772|4.633372|3.770535|3.826216|4.845013|7.251590|6.882308|12.595119|5.754747|4.500906|3.350733|4.063082|0.089622|0.082785|2.436072|2.269500|1.933906|1.848279|1.714708|1.804490|1.875050|2.193641|4.693013|8.967566|6.413434|17.653141|8.890771|5.590673|4.181260|3.971103|4.749251|7.229432|17.818803|0.080148|0.081690|0.079335|0.087151|0.088645|0.226212|0.084135|0.088474|0.066887|0.067525|0.062664|0.052277|0.050179|0.055379|0.047824|0.045562|0.044289|0.053771|0.046277|0.049754|0.049363|0.060645|0.063260|0.302629|0.500000| |2.208805|4.619753|2.976225|2.764577|3.031629|3.818674|4.418726|3.690666|8.224683|5.873945|4.311315|3.517821|5.015464|0.121427|0.104560|2.978195|3.035250|2.500412|2.273403|1.998190|2.024186|2.128046|2.514119|6.653755|13.403852|9.278537|7.013046|8.956801|17.745547|8.926810|5.647956|4.959958|5.712161|9.601687|0.057295|0.058075|0.060504|0.066761|0.075715|0.103400|0.083787|0.091350|0.079076|0.096053|0.085873|0.070090|0.063360|0.067832|0.059194|0.052076|0.051842|0.059053|0.050628|0.054609|0.057666|0.070561|0.068325|0.202720|0.141581|0.500000| 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