Version2.1 2021-01-09T21:18:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CCC(=O)NC[C@H](c3ccco3)[NH+]4CCCC4 C25155297 RHF 6-31G(d) (6D,7F) Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CCC(=O)NC[C@H](c3ccco3)[NH+]4CCCC4 C01[X(C21H26F3N6O2)] 168 C1 532 O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)CCc1c(C)nc2n(c1C)nc(n2)C(F)(F)F O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)CCc1c(C)nc2n(c1C)nc(n2)C(F)(F)F Cc1nc2nc(nn2c(C)c1CCC(=O)NC[C@@H]([NH+]3CCCC3)c4occc4)C(F)(F)F InChIKey=HZAADMJMIRYIGG-MRXNPFEDSA-O InChI=1S/C21H25F3N6O2/c1-13-15(14(2)30-20(26-13)27-19(28-30)21(22,23)24)7-8-18(31)25-12-16(17-6-5-11-32-17)29-9-3-4-10-29/h5-6,11,16H,3-4,7-10,12H2,1-2H3,(H,25,31)/p+1/t16-/m1/s1 InChI=1/C21H25F3N6O2/c1-13-15(14(2)30-20(26-13)27-19(28-30)21(22,23)24)7-8-18(31)25-12-16(17-6-5-11-32-17)29-9-3-4-10-29/h5-6,11,16H,3-4,7-10,12H2,1-2H3,(H,25,31)/p+1/t16-/m1/s1/fC21H26F3N6O2/h25,29H/q+1 Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CCC(=O)NC[C@H](c3ccco3)[NH+]4CCCC4 C01[X(C21H26F3N6O2)] 168 C01 532 O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)CCc1c(C)nc2n(c1C)nc(n2)C(F)(F)F O=C(CC[C]1[C]([N][C]2[N][C]([N]N2C=1C)C(F)(F)F)C)NC[C@H](C1=[CH][CH]=CO1)[NH]1CCCC1 C[C]1[N][C]2[N][C]([N]N2C(=C1CCC(=O)NC[C@@H]([NH]3CCCC3)c4occc4)C)C(F)(F)F InChIKey=LWYRBJZFBJEIHI-MRXNPFEDSA-N InChI=1S/C21H26F3N6O2/c1-13-15(14(2)30-20(26-13)27-19(28-30)21(22,23)24)7-8-18(31)25-12-16(17-6-5-11-32-17)29-9-3-4-10-29/h5-6,11,16,29H,3-4,7-10,12H2,1-2H3,(H,25,31)/t16-/m1/s1 InChI=1/C21H26F3N6O2/c1-13-15(14(2)30-20(26-13)27-19(28-30)21(22,23)24)7-8-18(31)25-12-16(17-6-5-11-32-17)29-9-3-4-10-29/h5-6,11,16,29H,3-4,7-10,12H2,1-2H3,(H,25,31)/t16-/m1/s1/f/h25H 3160.1198495562 -1584.9095144 1-A 26718.3426 118 414 532 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92.0353 110.6523 132.8425 138.6630 147.7604 155.0371 174.5017 191.8804 204.6858 212.7216 216.4153 265.8648 282.8816 283.6882 302.7592 320.4549 346.2089 360.6337 373.3799 374.2761 388.4232 423.5176 444.4456 460.7670 463.5732 484.2616 521.5653 540.3848 558.1557 564.1370 600.8844 614.1904 619.0967 629.3176 651.8185 657.1416 665.2845 695.7325 711.3466 736.0112 754.5952 765.7854 796.6237 826.7765 850.3912 863.3236 874.7907 878.8270 885.1677 895.8542 919.8719 934.2653 959.0149 967.3063 976.0424 983.0274 989.3912 1006.4793 1015.0238 1034.7892 1035.6638 1043.1275 1079.9695 1089.9408 1101.2472 1102.5698 1105.8391 1121.0537 1124.2472 1145.1444 1161.3374 1170.0259 1178.6466 1178.9780 1190.6510 1207.5022 1212.6972 1224.0587 1265.9225 1278.8052 1299.8012 1318.1141 1325.6327 1332.3335 1334.5936 1344.2210 1376.2585 1378.1033 1381.8984 1386.6926 1396.0928 1399.7460 1412.3954 1418.2984 1447.8743 1462.4426 1467.4846 1472.1806 1475.5497 1502.1764 1504.9039 1522.0856 1522.4952 1541.1233 1548.0262 1552.3117 1559.8459 1566.3416 1567.7181 1569.2652 1591.6712 1608.1719 1611.2386 1620.3080 1622.6673 1629.6817 1634.5632 1637.8667 1639.6448 1643.7330 1655.2989 1662.6030 1671.8244 1689.4821 1701.0435 1702.5631 1750.7518 1764.0465 1824.3005 1857.6980 1938.1122 3212.1306 3215.1912 3237.7086 3238.0703 3247.3478 3251.4588 3267.9342 3276.4454 3280.1846 3287.6951 3298.9931 3299.0029 3309.2003 3314.4926 3316.1301 3331.4043 3339.8339 3342.2622 3350.1517 3357.9727 3372.1511 3441.4829 3459.0350 3493.3558 3713.8730 3886.4114 5.6788 4.9057 5.5488 10.9921 5.1357 4.4025 3.5787 3.9180 3.6393 5.5929 6.4163 4.3925 2.9666 6.4394 2.6971 2.0547 1.7337 3.4136 1.3680 3.6327 4.0386 4.8965 2.1481 4.5987 4.0974 4.1042 5.6122 3.9012 3.0875 4.0954 5.4000 2.5553 4.7028 1.2220 3.6877 5.3056 7.2295 3.7194 3.8132 5.7442 5.4374 7.0616 7.1573 1.9773 6.3218 2.7644 2.0465 4.8222 3.4990 5.5588 3.2564 3.8726 4.1717 4.2819 13.3584 2.5456 5.6019 3.3795 1.2598 1.7901 10.5339 2.3983 2.0788 3.5246 6.2358 1.5410 2.2463 2.5345 2.1030 3.5368 2.6884 1.4204 1.9498 2.7129 2.3032 3.9685 6.7190 1.6845 1.9033 2.7168 1.8502 1.6852 1.5679 2.7688 2.1416 3.0639 2.1100 2.3104 1.8084 6.7017 1.6368 1.4262 1.3110 1.8074 1.4268 9.3207 1.7091 1.3105 3.9165 2.5855 12.9755 1.2429 7.4562 4.6850 1.3316 1.2427 1.8362 1.2440 1.3798 4.5312 1.2835 1.3315 1.2818 3.2384 1.4764 2.0480 1.2931 1.5549 1.4064 1.3552 1.4471 1.2454 1.2696 1.2145 1.1413 1.1028 2.6289 1.0553 1.0927 1.1002 1.0938 1.0903 1.0969 1.1052 1.9047 7.7417 4.3975 8.3780 11.1483 6.2545 9.6146 9.2496 1.0563 1.0473 1.0709 1.0390 1.1019 1.0659 1.1011 1.0623 1.0631 1.0638 1.1020 1.0733 1.0936 1.0997 1.1047 1.1005 1.1002 1.0947 1.1005 1.1125 1.1090 1.0981 1.0968 1.1074 1.0783 1.0803 0.0001 0.0003 0.0007 0.0027 0.0026 0.0043 0.0049 0.0091 0.0102 0.0214 0.0259 0.0219 0.0214 0.0670 0.0306 0.0264 0.0246 0.0612 0.0297 0.0897 0.1077 0.1351 0.0895 0.2168 0.1943 0.2217 0.3396 0.2755 0.2366 0.3364 0.4457 0.2271 0.4970 0.1422 0.4613 0.6718 0.9989 0.5961 0.6561 1.0544 1.0196 1.5022 1.5908 0.4465 1.4751 0.6920 0.5207 1.2575 0.9979 1.6573 1.0393 1.2992 1.4414 1.6010 5.3800 1.0846 2.4600 1.5237 0.5733 0.8264 4.9810 1.1957 1.0691 1.9099 3.4377 0.8650 1.2790 1.4618 1.2552 2.1469 1.6961 0.8976 1.2500 1.8643 1.6121 2.8356 4.8125 1.2137 1.4093 2.0232 1.4295 1.3391 1.2646 2.2662 1.7539 2.5591 1.8126 2.0019 1.5964 6.3277 1.5771 1.4196 1.3421 1.8713 1.4922 9.7813 1.8196 1.4625 4.3824 2.9091 14.7006 1.4273 8.6073 5.5065 1.5782 1.5349 2.3138 1.5784 1.7620 5.8126 1.7064 1.7767 1.7497 4.4227 2.0659 2.8916 1.8358 2.2291 2.0329 1.9624 2.0997 1.8589 1.9346 1.8577 1.7655 1.7108 4.1137 1.6612 1.7271 1.7426 1.7413 1.7602 1.7864 1.8201 3.2032 13.1983 7.5103 15.1301 20.4400 12.2641 19.5492 20.4706 6.4216 6.3787 6.6144 6.4188 6.8459 6.6391 6.9286 6.7190 6.7394 6.7744 7.0660 6.8825 7.0558 7.1181 7.1576 7.1961 7.2306 7.2048 7.2772 7.3911 7.4298 7.6625 7.7316 7.9621 8.7629 9.6138 0.0651 0.5659 0.3557 0.5446 1.3328 1.0480 1.2822 1.1847 0.9482 11.2644 2.2196 0.4550 5.8162 1.5181 2.4885 0.8093 0.5695 0.1244 0.3894 3.7860 8.6126 2.2364 0.6306 3.4661 3.7139 7.4853 0.6395 2.6654 7.4782 9.1703 0.4667 4.8303 10.1156 98.6113 3.4923 6.1281 2.8261 10.9877 6.5298 7.1956 3.7556 2.9716 3.6966 1.5378 7.3739 10.4698 1.0432 6.5870 5.1543 4.0576 4.3036 1.1785 1.4694 9.6233 37.1609 5.9753 1.9277 8.6874 52.6170 17.8853 25.5149 10.3379 14.3136 2.2020 10.7414 8.4422 1.2723 3.8776 1.7917 35.8447 0.6518 1.2227 6.9375 78.9963 23.3781 16.6041 7.3929 5.6463 12.1998 11.7542 18.9299 1.1610 0.2255 7.6536 1.9552 21.0008 2.6687 15.4126 11.0173 5.5739 27.1201 20.1156 6.6079 310.7218 20.5513 516.3370 12.8857 2.6751 8.4496 5.1188 301.7578 16.3895 278.8503 93.7779 16.4991 1.8572 3.9403 3.2668 1.4251 74.7284 12.6321 4.1818 4.3754 2.5542 14.4020 3.1967 33.7226 53.1461 22.1267 11.4897 4.9684 73.3700 21.9419 21.3421 7.3973 5.2506 6.5054 11.8207 6.4991 5.0997 17.9177 2.2402 4.5614 12.6617 365.9350 239.1998 36.5098 80.1512 41.9520 3.2449 405.2291 220.7233 9.2542 19.1181 16.2006 3.3029 6.6774 13.4830 25.5897 13.3979 13.8277 4.1604 1.8049 4.5451 2.2058 12.4204 13.1994 7.6933 5.6030 3.3215 22.7469 5.1506 2.8814 1.4661 1.0476 0.2344 52.8408 61.3827 1.6802 0.5676 0.4158 0.0606 0.7598 1.2658 0.6768 3.6186 0.6107 0.0898 1.3627 2.4238 0.3243 0.3205 0.4802 0.6538 0.2979 0.2201 0.4683 0.3870 0.2271 1.4625 0.7039 2.8398 1.7723 2.0118 0.5524 1.6704 1.2816 1.7447 0.7492 0.3940 1.2277 0.8688 0.7743 0.5149 0.7118 1.5476 0.8111 5.3274 3.9916 1.7909 2.8916 1.0384 2.0859 0.8775 1.7863 3.8573 4.0947 0.7701 0.4576 2.4930 0.9904 2.9878 0.9706 0.9741 1.5140 1.4148 1.4312 3.6849 0.4165 10.4843 3.9623 1.5421 4.6057 3.3831 6.2771 6.8102 8.9290 7.5557 4.0211 3.0914 1.8614 3.7015 3.7895 18.5772 12.1130 4.9503 1.5054 3.1829 14.7400 1.3664 1.0304 9.1018 1.1026 3.2609 0.9838 8.8739 1.2647 6.4643 3.6358 4.2831 4.1690 1.1094 7.0042 6.5687 9.8634 4.1342 18.1316 1.7733 2.7032 15.8229 13.4383 10.3342 3.2448 14.4656 12.4432 2.1473 0.7432 10.0473 7.2550 4.9321 3.2019 37.0293 5.1861 17.1403 2.4612 3.2515 9.7940 4.2735 29.9794 6.2498 10.6946 16.1359 8.6904 14.8674 11.2310 17.3440 15.7927 7.7141 14.4641 3.4510 10.5201 4.6008 2.8799 28.0847 102.7043 21.0474 14.0671 32.7136 4.2972 1.7173 11.7447 177.3317 109.8384 125.1238 35.1566 52.0405 80.3627 41.7929 72.1856 74.3564 70.7364 40.5957 153.4349 83.2288 20.5495 41.0640 69.0148 27.3795 55.8175 45.7617 29.5187 55.1900 78.8997 121.0428 19.7822 37.6582 0.7496 0.7394 0.7432 0.7497 0.7412 0.7433 0.6888 0.7479 0.7393 0.4559 0.7245 0.7404 0.7458 0.6654 0.5018 0.1528 0.2095 0.7499 0.7183 0.7362 0.7410 0.5142 0.3984 0.1857 0.6845 0.5775 0.6087 0.2299 0.5402 0.3281 0.5674 0.2138 0.7221 0.6111 0.0797 0.0797 0.4799 0.3604 0.7267 0.3897 0.1905 0.6988 0.2865 0.7283 0.7257 0.7460 0.2437 0.0727 0.1612 0.0451 0.5899 0.6477 0.6580 0.7097 0.0855 0.5696 0.5937 0.7454 0.5995 0.1793 0.7325 0.0794 0.4590 0.4890 0.7375 0.2291 0.6127 0.1154 0.1353 0.0434 0.0799 0.7232 0.2290 0.5236 0.0615 0.1137 0.1810 0.5038 0.7041 0.7221 0.5681 0.7420 0.7434 0.3635 0.7479 0.7473 0.2841 0.4329 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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 14.00307 14.00307 12.00000 14.00307 12.00000 18.99840 18.99840 18.99840 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 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 5324.9371 47125.1847 49097.7925 0.99999 0.00344 -0.00024 -0.00344 0.99992 -0.01206 0.00020 0.01207 0.99993 1 0.01627 0.00184 0.00176 0.33892 0.03830 0.03676 6.69 15.81 20.36 29.60 42.06 58.37 69.46 90.41 99.06 115.98 119.11 132.42 159.20 191.13 199.51 212.59 223.06 251.07 276.07 294.50 306.06 311.37 382.52 407.00 408.16 435.60 461.06 498.12 518.87 537.21 538.50 558.85 609.35 639.46 662.94 666.98 696.74 750.42 777.49 803.06 811.67 864.54 883.68 890.74 905.45 937.82 945.48 957.20 1001.00 1023.47 1058.96 1085.69 1101.79 1146.16 1189.55 1223.52 1242.13 1258.63 1264.44 1273.56 1288.93 1323.49 1344.20 1379.81 1391.74 1404.31 1414.36 1423.51 1448.10 1460.39 1488.83 1490.09 1500.83 1553.84 1568.18 1584.45 1586.35 1591.06 1612.95 1617.54 1647.61 1670.91 1683.41 1695.81 1696.29 1713.08 1737.33 1744.80 1761.15 1821.38 1839.92 1870.12 1896.47 1907.29 1916.93 1920.18 1934.03 1980.13 1982.78 1988.24 1995.14 2008.67 2013.92 2032.12 2040.62 2083.17 2104.13 2111.38 2118.14 2122.99 2161.30 2165.22 2189.94 2190.53 2217.33 2227.26 2233.43 2244.27 2253.62 2255.60 2257.82 2290.06 2313.80 2318.21 2331.26 2334.66 2344.75 2351.77 2356.52 2359.08 2364.97 2381.61 2392.11 2405.38 2430.79 2447.42 2449.61 2518.94 2538.07 2624.76 2672.81 2788.51 4621.54 4625.94 4658.34 4658.86 4672.21 4678.12 4701.83 4714.07 4719.45 4730.26 4746.52 4746.53 4761.20 4768.82 4771.17 4793.15 4805.28 4808.77 4820.12 4831.37 4851.77 4951.53 4976.78 5026.16 5343.43 5591.68 0.509760 0.537876 0.538820 0.443263 -1584.399754 -1584.371638 -1584.370694 -1584.466251 3.204997D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CCC(=O)NC[C@H](c3ccco3)[NH+]4CCCC4 C25155297 RHF 6-31G(d) (6D,10F) C1 451.206934 |X|Y|Z| 32.810315 46.456012 153.241568 61.585192 25 6 7 8 18 6 1 |36.858105| |12.626997|36.858105| |7.412849|13.150978|36.858105| |5.023487|7.926511|13.999070|36.858105| |4.597766|7.228879|8.243718|14.014269|53.358707| |5.272792|8.467070|7.009975|7.953445|19.108905|36.858105| |8.035676|14.742279|7.872431|6.797399|11.043771|14.214273|53.358707| |3.997717|5.429368|4.756655|5.482676|11.920377|14.564096|10.822599|53.358707| |3.362509|4.483776|4.420124|5.641281|12.675148|9.243058|7.657981|19.397073|36.858105| |3.484445|4.805906|5.296114|7.884282|19.252826|8.611713|7.452448|11.533991|14.673201|53.358707| |2.674709|3.321447|3.284877|3.978303|7.395561|5.426452|5.409002|10.462504|12.664342|10.592873|36.858105| |2.523934|3.052915|2.957507|3.445636|6.113650|4.712118|4.972380|8.892766|8.208265|7.783431|14.463837|97.533100| |2.401410|2.944275|3.045820|3.764188|6.538643|4.361701|4.545971|7.258432|8.181780|9.743732|14.484716|20.105475|97.533100| |2.525866|3.051013|2.952653|3.439271|6.106194|4.710765|4.972148|8.900248|8.205656|7.769263|14.473745|20.118838|20.103919|97.533100| |3.705843|4.947457|7.396307|12.702876|10.729355|5.136377|6.040453|5.679905|4.691135|9.212928|3.639899|7.079578|8.368511|7.064225|36.858105| |6.371105|7.395368|12.555575|7.570059|6.948155|4.500573|6.855156|4.695602|3.302092|5.264475|2.632214|5.431491|5.657125|5.418765|6.156688|36.858105| |5.193256|5.557618|7.508639|5.697912|5.751514|3.798773|5.673982|4.143961|2.942715|4.614843|2.411230|5.120611|5.229971|4.902010|5.145514|12.417191|36.858105| |4.055900|4.006154|4.898061|4.052600|4.362055|2.937962|4.342761|3.348274|2.399262|3.690834|2.035176|4.346052|4.469459|4.206090|3.959009|7.502155|12.577122|36.858105| |3.724849|3.635905|4.410029|3.712391|4.026665|2.711513|3.987092|3.120729|2.246708|3.449782|1.922845|4.069520|4.244743|4.025439|3.711665|6.765435|7.931136|15.824117|73.516695| |3.429759|3.336696|3.834736|3.322914|3.758131|2.577501|3.779446|3.012709|2.161182|3.267307|1.867994|4.055750|4.112208|3.856775|3.275364|5.051357|7.809637|13.995163|15.211469|53.358707| |2.797971|2.700307|3.035428|2.713651|3.146457|2.169430|3.145841|2.590628|1.871175|2.803233|1.648537|3.584925|3.657115|3.437477|2.738742|3.840555|5.042241|7.867955|12.569709|18.014572|36.858105| |2.768880|2.564316|2.780867|2.443295|2.880512|2.029477|2.993635|2.433291|1.735157|2.560843|1.534472|3.339090|3.377455|3.238575|2.404828|3.478817|4.217501|6.089659|10.978644|10.603143|12.329108|36.858105| |3.104217|2.817087|3.055073|2.621713|3.060919|2.163069|3.231537|2.567446|1.818801|2.687824|1.595527|3.449307|3.495158|3.380268|2.544457|3.944794|4.629122|6.865788|13.516319|10.102643|8.860729|17.670262|0.500000| |2.683534|2.438910|2.554215|2.245766|2.707829|1.944243|2.890549|2.350662|1.660508|2.415147|1.476178|3.247277|3.227097|3.119420|2.169025|3.055118|3.688269|4.734789|7.931201|8.338083|7.571309|12.780139|0.249489|36.858105| |2.875885|2.531269|2.565685|2.226167|2.719634|1.990665|3.009303|2.407119|1.677351|2.411248|1.488403|3.289736|3.222285|3.156067|2.098995|2.998710|3.543620|4.225631|6.967430|6.915825|5.303521|7.309670|0.188721|14.231428|36.858105| |2.472785|2.214073|2.222030|1.971030|2.452447|1.804451|2.698219|2.215781|1.547661|2.205245|1.389478|3.099695|3.011700|2.948336|1.868989|2.507406|2.928293|3.331789|5.478909|5.438076|4.210152|5.144652|0.127955|8.582115|13.215561|36.858105| |2.217956|2.038853|2.086009|1.881806|2.335231|1.696617|2.496789|2.094138|1.479887|2.120774|1.336691|2.981076|2.921939|2.829227|1.818956|2.360677|2.779537|3.225667|5.338037|5.430891|4.518546|5.353822|0.123244|8.760580|8.586687|14.245190|36.858105| |2.298223|2.133178|2.232004|2.010971|2.456497|1.760648|2.579696|2.157410|1.535108|2.224655|1.380278|3.055377|3.033399|2.914539|1.968288|2.593856|3.103848|3.809130|6.367693|6.702322|6.265768|7.927644|0.160114|14.087720|8.614852|8.615836|14.092123|73.516695| |2.321157|2.176565|2.353897|2.119271|2.529722|1.778855|2.589776|2.162345|1.554048|2.286319|1.391771|3.024453|3.084500|2.957724|2.123429|2.867284|3.279665|4.401018|8.522582|6.902878|7.547166|12.563997|0.253676|7.792897|5.258230|4.234961|4.663447|11.913429|53.358707| |2.136297|2.022463|2.179701|1.988483|2.394343|1.683755|2.433725|2.061986|1.487291|2.182512|1.340501|2.927897|2.979290|2.843359|2.003945|2.600203|3.002575|3.897030|7.217798|6.344701|7.005001|9.321171|0.182599|7.359470|4.936579|4.286395|5.087284|13.708988|25.740692|0.500000| |2.195783|2.021140|2.134680|1.916411|2.321101|1.654931|2.425890|2.024434|1.444719|2.102225|1.300222|2.828687|2.868156|2.787819|1.894273|2.545202|2.794191|3.527030|6.858747|5.222120|4.871657|7.472060|0.193976|6.451056|5.078391|4.184007|4.401622|9.976875|16.949353|0.256712|36.858105| |2.062485|1.918147|2.039292|1.848142|2.238791|1.588195|2.311563|1.949251|1.398420|2.039086|1.263107|2.730552|2.798193|2.723246|1.845779|2.425306|2.567883|3.182687|6.460521|4.454504|3.982269|5.265924|0.149731|4.364805|3.700742|3.148251|3.254412|6.957742|10.635163|0.173327|12.458418|36.858105| |1.977728|1.883507|2.042786|1.880195|2.262849|1.583046|2.273668|1.945542|1.411118|2.075454|1.277474|2.754958|2.853859|2.742433|1.919072|2.439374|2.605593|3.271801|6.720170|4.596146|4.265406|5.091905|0.137555|3.977714|3.263748|2.828717|3.014811|6.596745|10.822957|0.187711|7.911310|12.477221|36.858105| |2.228351|2.133829|2.355989|2.151952|2.547739|1.766638|2.540776|2.149143|1.560610|2.316598|1.400055|3.017413|3.127763|2.979873|2.206299|2.894039|3.207808|4.298531|8.986217|6.202527|6.351431|7.450123|0.190670|4.967033|3.814650|3.188525|3.425714|7.933148|17.089893|0.256526|7.790938|8.002828|12.530096|36.858105| |17.557537|8.811354|6.673755|4.598131|5.543582|4.432509|8.258953|4.733289|3.021405|4.317649|2.451077|5.282280|5.029434|5.151579|3.554372|6.625359|6.124669|4.755305|7.434074|5.526586|3.208522|3.184322|0.099629|3.124622|3.403615|2.866097|2.532297|4.666517|3.520329|0.065935|2.423756|2.229071|2.126502|2.431596|0.500000| |17.649788|8.994121|5.530712|4.213745|5.650609|5.071303|10.728796|5.502088|3.286501|4.442613|2.656820|5.730450|5.279494|5.718255|3.198942|4.704778|4.102618|3.351011|5.509970|4.027568|2.475433|2.473644|0.075843|2.453002|2.667896|2.349223|2.095662|3.792592|2.864361|0.054306|2.017845|1.894318|1.806888|2.007794|0.300319|0.500000| |17.548283|8.868836|6.547746|4.582255|5.593611|4.517557|8.488802|4.824492|3.062909|4.356410|2.481624|5.203998|5.077201|5.366799|3.530187|6.276681|4.793120|3.987379|6.859339|4.496247|2.762633|2.793366|0.088834|2.661407|2.833277|2.407814|2.164059|4.019604|3.229447|0.059970|2.273257|2.167252|2.062288|2.303138|0.301817|0.300824|0.500000| |3.315722|4.306759|5.842455|8.964363|9.630530|4.771135|5.490359|5.542698|4.749472|9.381827|3.787118|7.115029|8.959136|7.495033|17.583647|4.965238|4.087727|3.349299|5.791125|3.832718|2.429615|2.173675|0.063958|1.964593|1.904423|1.706172|1.662966|3.187615|2.663295|0.051327|1.766818|1.743749|1.814241|2.052379|0.086592|0.081175|0.089988|0.500000| |3.304108|4.299985|5.830724|8.961344|9.660023|4.780405|5.490344|5.560847|4.774399|9.452519|3.807295|7.546489|9.010914|7.134714|17.582675|4.959857|4.646108|3.639095|5.923572|4.287019|2.646240|2.293987|0.066220|2.094110|2.023234|1.826103|1.789827|3.427127|2.763271|0.053866|1.803855|1.745322|1.822012|2.094248|0.089707|0.081259|0.085735|0.303886|0.500000| |3.627947|4.562960|6.933048|8.863282|7.769657|4.204347|5.313155|4.703991|3.728295|6.677268|3.018856|6.027430|6.932032|6.012457|17.666583|7.089495|5.995171|4.721094|7.983724|5.112903|3.123809|2.690761|0.079396|2.367481|2.253291|1.982439|1.941307|3.792527|3.223632|0.061677|2.080604|2.033265|2.138040|2.497752|0.099451|0.085579|0.098028|0.300434|0.300082|0.500000| |7.373961|7.061561|8.889171|5.693122|5.860090|4.066127|6.524837|4.330017|2.972945|4.558397|2.411555|5.005881|5.137363|5.069980|4.684247|17.625962|8.874330|6.933226|12.169777|6.518407|3.769505|3.623673|0.118809|3.191809|3.194229|2.618051|2.421939|4.712905|4.055169|0.073823|2.707453|2.586329|2.538885|2.976688|0.214001|0.144760|0.227902|0.112832|0.108461|0.144264|0.500000| |4.835668|5.590471|8.853811|7.056763|6.451304|4.003173|5.738187|4.327253|3.151814|5.132356|2.556933|5.209297|5.616988|5.291021|6.831482|17.637079|8.880880|6.916638|12.603357|6.367745|3.752306|3.359638|0.105253|2.869320|2.747982|2.317029|2.220548|4.388257|3.893241|0.071908|2.522627|2.461017|2.527329|2.998874|0.135106|0.105906|0.138885|0.157052|0.144840|0.248741|0.308335|0.500000| |4.310741|4.931837|6.814518|6.025083|6.027544|3.803993|5.365780|4.213211|3.083921|4.958350|2.533803|5.389879|5.579807|5.059092|5.936955|8.792781|17.521743|9.010138|11.190838|9.425400|4.704482|3.749994|0.109061|3.313568|3.134529|2.685141|2.608731|5.164953|4.105735|0.078560|2.548613|2.358022|2.442431|2.995374|0.134159|0.099089|0.109440|0.124676|0.157269|0.195841|0.173567|0.211684|0.500000| |5.875695|5.907405|6.869106|5.127809|5.564499|3.882439|6.039386|4.238424|2.928309|4.451730|2.400600|5.187326|5.123107|4.878994|4.365518|8.761707|17.538122|8.938413|10.758527|9.883466|4.712219|4.106763|0.123561|3.831827|3.850752|3.191138|2.953406|5.709523|4.275382|0.080739|2.727757|2.455824|2.440350|2.955810|0.213138|0.129669|0.140538|0.098806|0.113610|0.131072|0.208970|0.173335|0.304954|0.500000| |3.407249|3.353865|3.786686|3.326003|3.823685|2.638214|3.854688|3.096441|2.217600|3.335452|1.918113|4.207882|4.211056|3.928930|3.243327|4.682415|7.404853|9.294862|10.875894|26.070073|9.020702|6.063309|0.156295|5.558341|4.885760|4.052436|4.043840|8.466155|5.770545|0.113142|3.347812|2.855375|2.924175|3.771455|0.113020|0.082844|0.088457|0.076777|0.088857|0.100710|0.120442|0.117270|0.197984|0.214947|0.500000| |2.634035|2.594106|2.977861|2.713970|3.121865|2.121047|3.033759|2.539896|1.855285|2.804573|1.639800|3.540198|3.669692|3.423385|2.820979|3.794881|4.759935|7.350952|13.421155|12.610008|17.656094|8.755447|0.204092|5.554962|4.175646|3.442048|3.694153|8.693402|9.826400|0.183764|4.638757|4.084847|4.712577|7.549404|0.081849|0.064596|0.073158|0.070059|0.075333|0.091200|0.102102|0.107912|0.127079|0.117091|0.187310|0.500000| |2.523871|2.454966|2.719502|2.481770|2.931851|2.029685|2.917428|2.453668|1.778383|2.647219|1.582052|3.469858|3.519222|3.291473|2.516007|3.289002|4.263199|5.794656|9.086180|12.570322|17.617366|8.790070|0.174577|7.212373|5.064101|4.358912|5.007996|12.691382|8.865908|0.193645|4.405711|3.567156|3.840293|5.347821|0.079884|0.063136|0.068365|0.062253|0.068909|0.078357|0.088631|0.088885|0.115782|0.114840|0.231479|0.301946|0.500000| |3.287044|2.791484|2.778085|2.359950|2.880641|2.130906|3.279920|2.555798|1.762184|2.524982|1.552278|3.420107|3.336974|3.302426|2.183797|3.258048|3.760630|4.368802|7.255510|6.652075|4.736228|6.295154|0.187142|8.827236|17.790375|8.441115|5.849912|10.434228|6.271912|0.115649|4.601814|3.548371|3.086101|3.556531|0.110094|0.084446|0.090667|0.055047|0.057858|0.064839|0.099323|0.081456|0.089698|0.115481|0.129030|0.107248|0.120004|0.500000| |2.400178|2.134833|2.104560|1.872324|2.359936|1.755873|2.633850|2.170800|1.507519|2.128216|1.358856|3.047153|2.932261|2.892350|1.761234|2.324180|2.663261|2.921897|4.814506|4.606969|3.446408|4.034933|0.104711|5.849647|8.443603|17.811840|8.838003|10.439931|4.689151|0.096373|3.491859|2.749335|2.469459|2.718669|0.076754|0.064481|0.064597|0.044857|0.047911|0.051337|0.067531|0.059415|0.068166|0.081445|0.096739|0.080714|0.098538|0.193283|0.500000| |1.990680|1.852406|1.894443|1.732440|2.167885|1.574083|2.295681|1.960280|1.391435|1.987913|1.266798|2.836128|2.777894|2.682844|1.686308|2.112684|2.461400|2.800934|4.660450|4.635144|3.841943|4.289884|0.100536|6.026970|5.809299|8.617733|17.840788|16.451692|5.420307|0.124290|3.791109|2.919483|2.757442|3.062368|0.062294|0.052658|0.053856|0.043037|0.046418|0.049747|0.059675|0.055635|0.065326|0.072164|0.097076|0.090550|0.121152|0.123021|0.195169|0.500000| |1.999920|1.849513|1.938500|1.757580|2.150892|1.538938|2.245818|1.897446|1.355582|1.962565|1.228143|2.685600|2.711692|2.634425|1.739574|2.264877|2.495119|3.060234|5.765313|4.621248|4.266257|5.992927|0.147330|5.938906|4.790355|4.285779|4.733297|10.452473|12.259044|0.247123|17.651469|8.715243|6.475758|6.057865|0.061125|0.051636|0.056980|0.045178|0.046429|0.052633|0.066192|0.062131|0.064200|0.068467|0.084974|0.111773|0.113983|0.116370|0.099749|0.116609|0.500000| |2.392014|2.155408|2.245740|1.986283|2.408965|1.733642|2.572508|2.111480|1.493710|2.164204|1.338011|2.913252|2.932155|2.872917|1.931371|2.681482|2.931940|3.666128|7.047749|5.364939|4.722652|7.592475|0.218497|7.251941|6.190619|4.763349|4.660407|10.066903|12.161187|0.190827|17.694823|8.662055|5.752571|5.993971|0.074074|0.061097|0.069084|0.049896|0.050863|0.058593|0.080767|0.072546|0.072855|0.080863|0.095925|0.119761|0.116697|0.161211|0.109981|0.107590|0.302450|0.500000| |1.877217|1.746323|1.837630|1.677557|2.054513|1.465167|2.127332|1.811973|1.299570|1.883382|1.181462|2.560341|2.617435|2.557316|1.672995|2.142888|2.248106|2.701864|5.364215|3.785364|3.295491|4.173401|0.116944|3.724044|3.281218|2.902906|3.003641|6.177822|7.780188|0.140542|8.791029|17.615826|8.690874|5.693374|0.055929|0.048424|0.054727|0.044188|0.044126|0.050704|0.063320|0.060244|0.057836|0.060290|0.068984|0.093034|0.084606|0.087506|0.071804|0.076449|0.221250|0.190934|0.500000| |2.213936|2.041725|2.168674|1.947152|2.349165|1.669187|2.443764|2.038596|1.457388|2.126520|1.310309|2.819337|2.894533|2.833702|1.931933|2.603035|2.692284|3.325096|6.951109|4.472044|3.829463|5.008699|0.155472|4.104533|3.617457|3.005367|3.001913|6.278204|8.750843|0.139917|8.821026|17.578846|8.829057|6.880351|0.066137|0.056171|0.065621|0.050844|0.050215|0.059201|0.078563|0.073616|0.067681|0.071099|0.078988|0.109322|0.092791|0.100393|0.073810|0.074226|0.174819|0.221925|0.302380|0.500000| |1.804512|1.728054|1.864869|1.733838|2.105059|1.474664|2.106556|1.825365|1.327532|1.945910|1.209766|2.620166|2.709242|2.596211|1.775841|2.188481|2.354809|2.895097|5.740329|4.163542|3.870181|4.453239|0.114979|3.690720|3.035602|2.727346|2.982553|6.477044|9.272466|0.186319|6.785801|8.786806|17.554567|8.832211|0.053808|0.046178|0.051807|0.046721|0.047299|0.054561|0.062582|0.062686|0.062230|0.061850|0.075318|0.117205|0.101653|0.078323|0.066417|0.077551|0.179277|0.137548|0.215939|0.173673|0.500000| |1.925371|1.848589|2.015369|1.868579|2.248058|1.565867|2.237097|1.927777|1.404012|2.069782|1.273444|2.732925|2.854264|2.742506|1.922776|2.399003|2.501860|3.084009|6.452894|4.184059|3.713746|4.191964|0.117887|3.333589|2.830835|2.469503|2.590571|5.506720|7.752180|0.138162|5.655005|8.690697|17.613700|8.814298|0.056801|0.048824|0.056181|0.050974|0.050443|0.059636|0.069295|0.070189|0.065445|0.064381|0.074306|0.116445|0.092572|0.075985|0.060908|0.066396|0.133331|0.127261|0.195889|0.217316|0.302061|0.500000| |2.470347|2.365528|2.649255|2.391898|2.789663|1.923475|2.777438|2.317171|1.680838|2.512020|1.495125|3.200711|3.335059|3.181666|2.451339|3.356371|3.662581|5.092618|11.716189|6.816793|6.510544|7.374036|0.219160|4.743409|3.781032|3.072138|3.182411|7.161052|12.306632|0.183550|6.472497|6.885619|8.767728|17.629608|0.074781|0.060958|0.071737|0.063179|0.063659|0.078176|0.096893|0.098141|0.093052|0.091349|0.111134|0.222595|0.141110|0.101727|0.073481|0.078253|0.137494|0.156322|0.138650|0.194072|0.173190|0.216517|0.500000| 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