Version2.2 2021-02-10T18:51:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)c3cc4c([nH]c3=O)CCC4)F C66446081 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)c3cc4c([nH]c3=O)CCC4)F C01[X(C22H28F1N4O2)] 165 C1 491 O=C(c1cc2CCCc2[nH]c1=O)NCCC[NH+]1CCN(CC1)c1ccccc1F O=C(c1cc2CCCc2[nH]c1=O)NCCC[NH+]1CCN(CC1)c1ccccc1F Fc1ccccc1N2CC[NH+](CCCNC(=O)C3=CC4=C(CCC4)NC3=O)CC2 InChIKey=YOIJVZZAGXNSIM-UHFFFAOYSA-O InChI=1S/C22H27FN4O2/c23-18-6-1-2-8-20(18)27-13-11-26(12-14-27)10-4-9-24-21(28)17-15-16-5-3-7-19(16)25-22(17)29/h1-2,6,8,15H,3-5,7,9-14H2,(H,24,28)(H,25,29)/p+1 InChI=1/C22H27FN4O2/c23-18-6-1-2-8-20(18)27-13-11-26(12-14-27)10-4-9-24-21(28)17-15-16-5-3-7-19(16)25-22(17)29/h1-2,6,8,15H,3-5,7,9-14H2,(H,24,28)(H,25,29)/p+1/fC22H28FN4O2/h24-26H/q+1 c1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)c3cc4c([nH]c3=O)CCC4)F C01[X(C22H28F1N4O2)] 165 C01 491 O=C(c1cc2CCCc2[nH]c1=O)NCCC[NH+]1CCN(CC1)c1ccccc1F O=C([C]1[CH][C]2=C(N[C]1=O)CCC2)NCCC[NH]1CC[N@](CC1)[C]1[CH][CH][CH][CH][C]1F F[C]1[CH][CH][CH][CH][C]1N2CC[NH](CCCNC(=O)[C]3[CH]C4=C(CCC4)NC3=O)CC2 InChIKey=FBAHMZAEKNOYLZ-UHFFFAOYSA-N InChI=1S/C22H28FN4O2/c23-18-6-1-2-8-20(18)27-13-11-26(12-14-27)10-4-9-24-21(28)17-15-16-5-3-7-19(16)25-22(17)29/h1-2,6,8,15,26H,3-5,7,9-14H2,(H,24,28)(H,25,29) InChI=1/C22H28FN4O2/c23-18-6-1-2-8-20(18)27-13-11-26(12-14-27)10-4-9-24-21(28)17-15-16-5-3-7-19(16)25-22(17)29/h1-2,6,8,15,26H,3-5,7,9-14H2,(H,24,28)(H,25,29)/f/h24-25H 2579.6005850533 -1316.2135336 1-A 25537.6733 106 385 491 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.41188 -20.59991 -20.59534 -15.83856 -15.70310 -15.68985 -15.65425 -11.43665 -11.42880 -11.42676 -11.42548 -11.42510 -11.41854 -11.39386 -11.39249 -11.37975 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1622.8088 1626.2490 1626.6840 1633.7438 1636.4102 1641.9256 1642.4940 1646.7009 1650.3429 1658.5526 1662.2923 1662.5159 1676.2047 1739.2013 1756.6591 1787.7452 1815.7235 1815.8320 1872.8420 1918.1865 3178.2427 3182.8147 3209.8253 3210.4521 3211.2987 3233.5440 3238.4194 3256.4727 3261.9262 3262.9196 3277.0868 3278.8182 3290.1005 3296.4988 3299.0242 3302.1397 3312.9083 3330.3929 3341.2203 3364.6731 3380.3670 3390.7395 3401.5884 3404.2779 3409.7764 3680.2426 3809.2832 3836.7983 4.9186 4.9973 5.6327 5.6146 5.3297 4.0235 3.8624 4.1420 3.9009 2.9786 3.9855 2.7473 4.6859 2.8231 3.4303 3.5838 3.8659 3.6086 2.1599 4.0976 3.9126 2.8891 3.6201 5.1714 5.4421 4.0999 4.2712 3.8698 5.6105 2.9948 2.4350 5.5155 5.0631 2.9501 3.4157 3.4512 4.0714 7.0009 3.4841 2.7979 4.2187 2.9009 1.1942 3.5395 3.4315 1.4371 2.5327 1.7874 2.1241 4.0464 3.9978 2.8982 3.0489 1.2685 3.2119 8.7217 2.4906 1.7814 2.8373 2.0995 1.5988 1.6393 1.6616 3.0836 2.2205 3.4075 2.0956 1.4507 3.1327 1.5472 2.3329 2.4887 1.3258 2.5724 1.9755 1.8565 2.1532 1.6949 2.8936 2.9488 3.9848 1.7330 2.0729 4.1983 1.2369 2.0443 1.1681 3.0136 1.9216 1.5493 2.0386 2.6510 1.4435 1.5693 1.2610 2.1716 1.6265 1.5976 1.6401 1.5788 1.2728 1.2681 1.6487 1.2776 1.2914 1.6143 1.4939 1.1986 1.2677 1.2491 3.8815 1.3453 1.3065 1.3894 1.3935 1.2698 1.4691 1.1751 1.7207 1.2921 1.4912 1.2693 1.0984 1.3554 1.1010 1.0952 1.1072 1.1229 1.1161 2.8472 1.9239 5.2121 6.3532 5.8015 6.4889 8.7836 6.8334 1.0729 1.0722 1.0673 1.0726 1.0655 1.0601 1.0767 1.0988 1.0893 1.0608 1.0640 1.1032 1.0683 1.1054 1.0921 1.0895 1.1016 1.1048 1.1114 1.1087 1.0888 1.0925 1.0959 1.0924 1.0983 1.0779 1.0817 1.0791 0.0003 0.0006 0.0010 0.0040 0.0076 0.0082 0.0144 0.0216 0.0241 0.0261 0.0408 0.0305 0.0537 0.0568 0.0749 0.0930 0.1166 0.1374 0.0887 0.1813 0.2065 0.1641 0.2228 0.3834 0.4409 0.3553 0.3989 0.4008 0.6511 0.3740 0.3339 0.8368 0.7894 0.4613 0.6093 0.6403 0.8703 1.5415 0.8077 0.6958 1.0680 0.7983 0.3350 1.0189 1.0931 0.4881 0.9518 0.6749 0.8145 1.6136 1.6453 1.2257 1.3384 0.5630 1.5075 4.1517 1.2054 0.8755 1.4408 1.1757 0.9112 0.9363 0.9578 1.8827 1.3622 2.1877 1.4642 1.0153 2.2447 1.1431 1.7300 1.8564 0.9950 1.9367 1.5084 1.4426 1.6895 1.3887 2.3850 2.5415 3.4541 1.5174 1.8636 3.8285 1.1850 2.0001 1.1684 3.0604 1.9683 1.5986 2.1087 2.7661 1.5145 1.6966 1.3660 2.4914 1.8930 1.8691 1.9255 1.8620 1.5304 1.5563 2.0766 1.6372 1.6675 2.0889 1.9425 1.5606 1.6795 1.6928 5.3361 1.8788 1.8774 2.0315 2.0516 1.8857 2.2131 1.8232 2.6811 2.0144 2.3451 2.0027 1.7447 2.1544 1.7590 1.7575 1.7944 1.8282 1.8176 4.7133 3.4288 9.4763 11.9633 11.2691 12.6059 18.1519 14.8138 6.3851 6.3995 6.4788 6.5135 6.4736 6.5309 6.6527 6.8652 6.8287 6.6545 6.7325 6.9879 6.8132 7.0772 7.0029 6.9992 7.1238 7.2198 7.3105 7.3954 7.3302 7.4008 7.4709 7.4593 7.5233 8.6017 9.2476 9.3595 0.1771 0.1245 0.1621 4.0671 3.9066 3.0307 3.2065 2.5659 3.4193 2.9455 3.1121 1.5363 6.1398 2.7198 3.2105 5.7113 0.3889 3.2322 0.0574 12.2993 6.2768 4.0510 3.6437 8.7651 6.8477 2.1977 3.6543 2.8157 2.1741 4.0647 0.7922 8.9590 7.6880 0.1018 20.2140 1.4708 9.6595 5.1137 1.9011 41.1758 25.6853 5.4035 68.8738 4.6347 8.2454 41.5552 10.5330 3.5306 11.0631 8.9563 12.5366 8.8881 21.9764 60.2557 23.5231 102.6599 11.3465 8.1028 0.9856 0.6581 2.4213 1.3490 5.9336 20.4365 3.6186 79.4892 1.7535 2.1829 24.7322 6.1097 5.3271 5.1830 0.1401 18.5405 9.1373 0.3185 10.7957 9.9653 17.2569 9.2248 10.6753 16.2573 22.0833 80.8709 11.7270 2.4897 13.0117 220.4401 2.7329 4.4468 13.7662 10.6083 10.7445 3.0789 6.4007 54.1246 20.3181 9.0865 72.0568 6.8555 9.5437 5.0933 135.6499 7.1473 6.8143 2.4610 0.4648 2.6283 7.0684 0.7984 47.9320 3.2452 36.1384 125.3646 66.0396 34.4636 17.5999 21.1651 13.8100 7.0109 91.0403 35.9427 10.2679 54.2605 3.2628 1.0141 16.3313 15.2082 5.4682 122.9780 707.9316 327.8534 8.0839 17.0067 1.9130 417.3957 790.7004 11.8805 41.4951 42.4035 14.7206 25.2358 38.7283 13.0216 23.1028 45.1646 6.2805 12.0607 13.8475 4.0951 38.9196 9.6140 3.5133 0.9068 10.7674 10.6715 3.7641 0.4466 7.3077 8.2589 0.0709 3.5892 31.0305 235.1727 99.1931 3.8837 1.8989 2.2124 1.1206 0.8283 1.8903 2.3305 0.7431 0.9953 1.2840 2.1236 0.3071 0.9923 0.1087 1.0405 1.6841 1.3444 1.3923 1.0976 0.5128 0.7323 0.4144 0.9858 2.4725 1.6181 1.9265 0.1854 0.3864 3.1648 0.6632 2.0592 4.9972 4.4328 2.0269 0.4552 0.4025 1.0958 8.5390 0.0761 1.7907 1.0787 2.1282 0.3050 2.1440 2.2441 0.9174 26.3476 1.6805 7.2048 0.1724 0.3932 0.5257 2.3141 1.0048 5.6068 3.9483 11.8430 3.4884 10.1398 0.1947 1.7941 1.4300 1.7812 3.6652 0.6193 1.0191 9.2761 3.0073 8.9718 1.7875 24.8181 7.6610 0.0455 11.2856 4.7234 0.7884 3.6487 5.3504 9.7787 3.3700 38.1225 3.3487 3.2959 63.7228 4.4321 2.3356 3.9272 40.1442 14.0005 1.4822 2.0164 4.6053 13.4379 2.8438 14.4724 18.6833 1.8466 2.0400 2.8909 16.9152 7.3876 12.8480 60.1993 12.4007 2.3414 14.4637 6.5812 26.5402 1.7773 2.7813 14.9996 0.4364 0.7686 16.1837 2.1067 3.3658 5.0497 44.2621 3.8683 4.3249 26.1809 40.6504 14.8507 18.7512 11.1326 3.1380 2.8263 9.4199 12.2860 1.2212 23.9174 299.7156 7.0220 6.2032 33.4436 15.8077 10.2561 6.6112 84.8481 132.3948 69.6996 178.0390 55.2237 74.7652 114.1398 137.7182 31.4169 95.5875 43.2998 47.5246 147.1485 60.1067 107.5169 33.5872 5.6988 52.0638 70.4589 44.5667 82.3504 68.5377 43.3229 233.9333 19.6654 36.7630 69.6727 0.7496 0.7470 0.7474 0.7470 0.7493 0.7479 0.7391 0.7485 0.7189 0.7498 0.7152 0.2560 0.2420 0.6288 0.2928 0.1751 0.7449 0.7479 0.7483 0.6707 0.7348 0.7379 0.7266 0.7335 0.5813 0.7500 0.7394 0.1225 0.5189 0.7393 0.3171 0.3002 0.3805 0.6305 0.4205 0.1691 0.7497 0.4037 0.3658 0.6265 0.5763 0.7183 0.5916 0.6799 0.2746 0.4312 0.0464 0.7043 0.0967 0.7389 0.7432 0.7495 0.6634 0.7412 0.6821 0.7380 0.0379 0.4122 0.1750 0.6207 0.4908 0.3876 0.5209 0.5601 0.7469 0.5581 0.7010 0.6825 0.4780 0.1836 0.3374 0.4043 0.6591 0.0735 0.4303 0.7491 0.5979 0.6349 0.6315 0.3375 0.3389 0.5360 0.2837 0.2550 0.3334 0.1406 0.7499 0.2246 0.1796 0.7338 0.4116 0.7432 0.6560 0.6485 0.7460 0.0659 0.7147 0.6081 0.7496 0.3502 0.2289 0.5631 0.2540 0.7405 0.7495 0.2509 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0.5001 0.2466 0.8571 0.3668 0.3045 0.8465 0.5832 0.8527 0.7923 0.7868 0.8545 0.1237 0.8336 0.7563 0.8569 0.5187 0.3725 0.7205 0.4051 0.8509 0.8568 0.4011 0.3704 0.8077 0.5579 0.8097 0.2502 0.8273 0.5577 0.6409 0.6499 0.8571 0.5640 0.6341 0.8274 0.8564 0.6716 0.6000 0.8424 0.5066 0.7855 0.8316 0.8333 0.8143 0.7074 0.6007 0.6597 0.5893 0.8560 0.6324 0.7310 0.3462 0.7582 0.8169 0.2012 0.2990 0.3296 0.3452 0.1449 0.5292 0.7997 0.2070 0.1332 0.3574 0.8504 0.2671 0.7442 0.6158 0.1934 0.6681 0.3604 0.8559 0.6617 0.8480 0.8523 0.5433 0.4982 0.2195 0.3295 0.2532 0.4516 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 6 6 6 6 6 6 7 6 6 7 1 6 6 6 6 6 7 6 8 6 6 6 6 7 1 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 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 4393.7678 43800.2949 45877.9270 0.99997 -0.00701 0.00275 0.00701 0.99997 0.00263 -0.00277 -0.00261 0.99999 1 0.01971 0.00198 0.00189 0.41075 0.04120 0.03934 15.36 21.34 24.51 50.17 70.88 84.48 114.29 135.51 147.21 175.35 189.74 197.46 200.69 265.91 276.89 301.95 325.52 365.71 379.83 394.28 430.64 446.74 465.02 510.39 533.54 551.84 572.80 603.24 638.54 662.37 694.10 730.09 740.13 741.21 791.65 807.39 866.64 879.54 902.47 934.72 943.11 983.32 992.76 1005.70 1057.92 1092.39 1149.09 1151.76 1160.72 1183.68 1202.48 1218.98 1241.93 1248.72 1284.15 1293.25 1304.01 1314.10 1335.75 1402.71 1415.06 1416.61 1423.14 1464.65 1468.11 1501.92 1566.79 1568.08 1586.66 1611.14 1614.16 1618.91 1623.81 1626.42 1637.90 1652.28 1660.35 1696.68 1701.72 1740.15 1745.14 1753.93 1777.26 1789.96 1834.64 1854.06 1874.68 1888.91 1897.08 1904.00 1906.37 1914.71 1919.96 1948.94 1950.96 2007.72 2022.15 2027.45 2031.01 2035.62 2055.39 2076.47 2103.64 2121.89 2129.95 2132.25 2137.43 2138.84 2157.51 2182.04 2197.76 2215.15 2246.95 2266.57 2274.33 2284.19 2300.61 2334.86 2339.81 2340.44 2350.59 2354.43 2362.36 2363.18 2369.24 2374.48 2386.29 2391.67 2391.99 2411.68 2502.32 2527.44 2572.17 2612.42 2612.58 2694.60 2759.84 4572.78 4579.36 4618.22 4619.12 4620.34 4652.35 4659.36 4685.34 4693.18 4694.61 4715.00 4717.49 4733.72 4742.93 4746.56 4751.04 4766.54 4791.69 4807.27 4841.01 4863.59 4878.52 4894.13 4898.00 4905.91 5295.05 5480.71 5520.30 0.524587 0.548857 0.549801 0.466013 -1315.688946 -1315.664677 -1315.663733 -1315.747521 2.810263D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE c1ccc(c(c1)N2CC[NH+](CC2)CCCNC(=O)c3cc4c([nH]c3=O)CCC4)F C66446081 RHF 6-31G(d) (6D,10F) C1 399.219630 |X|Y|Z| 27.771918 44.145685 151.054721 57.000169 26 6 7 22 4 |36.858105| |13.747937|36.858105| |7.923545|13.745754|36.858105| |6.947346|8.027335|13.850253|36.858105| |7.903882|6.838097|7.861872|13.747064|36.858105| |13.749844|7.941961|6.861987|8.024809|13.736849|36.858105| |5.128952|4.517947|5.095656|7.719755|13.314883|7.812721|53.358707| |4.107220|3.801930|4.348539|6.141792|7.837422|5.514489|17.890942|36.858105| |3.234337|2.965042|3.251840|4.187691|5.107988|4.151892|10.683631|12.531618|36.858105| |2.901642|2.707763|2.997450|3.821286|4.465512|3.632301|9.065212|7.669258|12.684921|53.358707| |2.783745|2.675155|3.039725|3.889722|4.279777|3.398359|8.184410|7.165102|9.331414|25.682187|0.500000| |3.235339|2.965022|3.250684|4.185101|5.107036|4.153764|10.677889|6.635918|7.731180|17.232916|0.258840|36.858105| |4.107744|3.801288|4.346266|6.136241|7.834261|5.516144|17.883253|7.929536|6.644848|10.446495|0.199226|12.533960|36.858105| |2.405755|2.245929|2.426319|2.937694|3.343221|2.903687|6.071544|4.967582|7.641092|17.213415|0.258885|7.579999|4.954309|36.858105| |2.131320|2.027519|2.201162|2.613283|2.861277|2.501495|4.915299|3.822472|4.967943|10.285232|0.204141|6.056810|4.247229|12.506229|36.858105| |1.851581|1.759330|1.879033|2.172059|2.362374|2.131838|3.897106|3.021848|3.814474|6.697246|0.130842|4.224808|3.210062|7.570331|12.409267|36.858105| |1.686262|1.618766|1.728960|1.970258|2.103140|1.909632|3.371710|2.558390|3.050224|5.206179|0.105949|3.516614|2.809109|5.019246|7.731567|13.250267|53.358707| |1.667644|1.597484|1.695658|1.919201|2.051139|1.880408|3.251504|2.390387|2.776133|4.714434|0.094756|3.416019|2.752802|4.271641|6.085635|7.876439|19.231613|36.858105| |1.789091|1.697049|1.790873|2.035183|2.206874|2.033738|3.525123|2.529574|2.940162|5.059648|0.098627|3.864006|3.032686|4.529239|6.149249|7.010698|11.613481|15.717936|73.516695| |1.498568|1.448071|1.533667|1.710037|1.800062|1.663215|2.784250|2.039904|2.299059|3.763560|0.076984|2.755043|2.330027|3.225835|4.229421|5.056390|10.676653|12.771288|14.351981|36.858105| |1.459969|1.409659|1.483166|1.639668|1.724712|1.609627|2.633549|1.894913|2.097511|3.386401|0.068752|2.562849|2.207426|2.807743|3.496928|3.921782|7.105975|7.800803|12.292746|13.965673|36.858105| |1.329740|1.291801|1.355975|1.482510|1.544150|1.449456|2.321293|1.672648|1.823183|2.878633|0.058879|2.170991|1.921470|2.336117|2.811803|3.096249|5.345510|5.057897|8.124051|7.858932|13.475187|36.858105| |1.256402|1.226852|1.291674|1.408780|1.457362|1.364500|2.184235|1.593647|1.735617|2.715960|0.056088|2.006881|1.790254|2.206910|2.650438|2.950811|5.134576|4.487877|6.845005|6.915005|8.055661|14.125741|36.858105| |1.279154|1.250395|1.322924|1.450634|1.499805|1.394806|2.264347|1.674257|1.841439|2.893713|0.060179|2.091503|1.850782|2.388526|2.923545|3.345873|6.085182|5.035190|7.137039|7.985778|7.013695|8.085598|14.106134|53.358707| |1.219521|1.196312|1.266567|1.383743|1.423471|1.324346|2.138441|1.592037|1.743829|2.708871|0.056623|1.938602|1.732471|2.222673|2.677905|3.045573|5.352939|4.159948|6.025135|5.810702|5.128164|5.843171|9.286799|25.957741|0.500000| |1.386880|1.350319|1.434053|1.589268|1.654408|1.527278|2.535336|1.887204|2.112698|3.384694|0.070368|2.412552|2.086462|2.873947|3.674367|4.405957|8.965209|7.377177|9.203376|13.080832|7.790129|6.716550|7.889536|18.801811|0.262946|36.858105| |1.384571|1.351130|1.440503|1.600531|1.661787|1.526493|2.555429|1.935221|2.183481|3.478896|0.073018|2.406833|2.082126|2.990634|3.831906|4.718682|9.537921|6.369061|8.068687|7.978000|5.313977|4.707927|5.457835|11.605750|0.221664|15.695139|73.516695| |1.153629|1.130468|1.185818|1.281212|1.317907|1.241861|1.951432|1.421099|1.529183|2.353406|0.048624|1.744681|1.584391|1.880804|2.195124|2.395513|3.963240|3.319758|5.303294|4.480637|5.154711|8.010270|12.688549|10.229342|0.191896|4.990625|7.102375|36.858105| |1.166518|1.141961|1.193443|1.284807|1.322570|1.252254|1.947719|1.401173|1.495873|2.301020|0.047321|1.737845|1.588481|1.815787|2.097506|2.240127|3.621654|3.104782|5.194787|4.017663|5.038568|7.977683|8.042748|7.046310|0.127781|4.013902|5.792192|12.313228|36.858105| |1.261540|1.226569|1.279331|1.385282|1.439062|1.363579|2.135426|1.524781|1.639497|2.548908|0.051943|1.948584|1.756675|2.027152|2.360982|2.533260|4.128889|3.730275|6.408367|4.911673|7.148147|12.601286|8.076878|7.108111|0.120042|4.399531|6.122111|7.692129|12.297642|36.858105| |4.670694|5.302722|8.151541|14.252829|8.150917|5.307190|9.309955|6.265559|4.339126|5.610821|0.123848|4.333696|6.255981|3.116358|2.824783|2.307072|2.859860|2.027265|3.776520|1.806707|1.716709|1.550743|1.481852|2.091136|0.040788|1.689773|3.043857|1.342811|1.339197|1.438069|97.533100| |17.738542|8.911127|5.640388|4.992158|5.636059|8.924214|5.671746|3.463309|2.863709|3.517888|0.068397|2.865023|3.464171|2.201746|1.960325|1.730061|2.152877|1.570844|2.998974|1.418564|1.388898|1.269991|1.199151|1.655991|0.032240|1.313479|2.325879|1.105501|1.120418|1.211335|8.318696|0.500000| |8.911172|17.734617|8.940115|5.690734|4.935192|5.647093|4.900911|3.146567|2.546160|3.198744|0.064762|2.546182|3.146132|1.993574|1.821569|1.601325|2.022274|1.470081|2.765102|1.344508|1.314119|1.212665|1.154382|1.597221|0.031267|1.259443|2.238421|1.069888|1.082441|1.157635|9.604472|0.214620|0.500000| |5.621421|8.833575|17.745274|8.982761|5.630374|4.948935|5.651714|3.742431|2.895366|3.698239|0.077965|2.893984|3.740225|2.236587|2.065377|1.774789|2.245321|1.616680|3.010331|1.475646|1.427619|1.313666|1.257326|1.753341|0.034379|1.389767|2.485781|1.159075|1.165548|1.241651|16.725534|0.123603|0.213025|0.500000| |8.886353|5.640485|4.947492|5.695442|8.982199|17.731855|9.866575|5.248907|4.266610|5.035768|0.093016|4.270539|5.252632|3.019441|2.559794|2.201503|2.661414|1.930394|3.744112|1.696455|1.643913|1.474011|1.382172|1.920611|0.037122|1.548686|2.745772|1.255393|1.266713|1.386674|9.625883|0.214219|0.123962|0.107479|0.500000| |3.747366|3.685812|4.451992|6.334949|6.727551|4.689274|12.211905|17.472153|8.859615|9.312963|0.208262|5.749005|7.018265|4.582682|3.740213|2.940979|3.448447|2.350622|4.349523|2.026947|1.874328|1.663840|1.596820|2.293824|0.044714|1.896400|3.478924|1.425998|1.400950|1.513445|17.102209|0.087575|0.085771|0.110601|0.118807|0.500000| |4.333373|3.947281|4.361917|5.797475|7.327318|5.723775|12.496188|17.613387|8.992353|7.617996|0.145144|4.970748|5.715614|4.137322|3.241047|2.681778|3.116009|2.141920|4.008091|1.850773|1.727471|1.538764|1.472005|2.101071|0.040972|1.726271|3.152399|1.322493|1.303593|1.411933|12.341118|0.102308|0.091004|0.103537|0.152457|0.302189|0.500000| |2.847588|2.666913|2.927523|3.642751|4.173693|3.495067|7.685779|8.810282|17.624138|12.362305|0.224998|5.627205|4.969703|7.135789|4.790775|3.824605|4.136137|2.693789|4.939321|2.248218|2.027522|1.773464|1.708341|2.492100|0.048537|2.104394|3.928934|1.507213|1.460720|1.588155|8.701340|0.070935|0.064740|0.074079|0.098574|0.215762|0.212148|0.500000| |3.251315|2.883450|3.045465|3.799120|4.813689|4.218286|9.604988|8.824284|17.630697|12.424899|0.182061|7.055583|5.843849|7.067482|4.570798|3.705151|4.011525|2.720159|5.206784|2.248077|2.068902|1.796210|1.699838|2.439146|0.047016|2.049123|3.736287|1.500604|1.473537|1.623823|8.396018|0.081649|0.069134|0.074656|0.127686|0.173340|0.216238|0.299812|0.500000| |2.850964|2.668247|2.926870|3.640605|4.175625|3.500353|7.687607|4.962403|5.623806|12.314356|0.223809|17.667194|8.818258|7.039416|6.866780|4.614616|5.408725|3.976832|8.198393|3.152649|2.934431|2.441566|2.230485|3.154672|0.059028|2.696789|4.716176|1.916012|1.915524|2.170107|8.683619|0.071038|0.064771|0.074034|0.098802|0.129025|0.109125|0.126567|0.144087|0.500000| |3.256147|2.886303|3.047575|3.802015|4.821678|4.227049|9.628431|5.854695|7.074216|12.429150|0.182059|17.634716|8.832742|7.016965|5.378217|4.077295|4.576166|3.315745|6.832967|2.670227|2.513335|2.127394|1.953115|2.750293|0.051926|2.319887|4.086644|1.703378|1.704156|1.923918|8.397232|0.081773|0.069192|0.074687|0.128048|0.133658|0.131466|0.144300|0.213628|0.300175|0.500000| |4.336121|3.947687|4.360089|5.793027|7.327715|5.729511|12.496829|5.716593|4.974677|7.621220|0.145251|9.000579|17.614556|4.122969|3.705078|2.915590|3.562123|2.636036|5.244234|2.262325|2.187321|1.912685|1.765378|2.451879|0.046682|2.009194|3.516925|1.571016|1.593299|1.770303|12.322643|0.102387|0.091012|0.103476|0.152702|0.142961|0.127932|0.109215|0.131203|0.212827|0.216246|0.500000| |3.747639|3.685011|4.449154|6.328144|6.725245|4.690212|12.210232|7.019420|5.758213|9.320624|0.208550|8.854016|17.472416|4.572050|4.168437|3.127182|3.806145|2.722794|5.216447|2.335653|2.202199|1.929749|1.811685|2.559896|0.049088|2.115828|3.771382|1.605143|1.604379|1.759440|17.060831|0.087592|0.085755|0.110517|0.118864|0.205784|0.142945|0.129352|0.133537|0.215331|0.173344|0.302224|0.500000| |2.281194|2.143042|2.313282|2.770042|3.104892|2.717811|5.472915|4.781163|7.489531|12.421969|0.216812|5.604065|4.175762|17.608276|8.817110|6.853422|6.266535|3.779522|6.808565|2.955962|2.556734|2.167450|2.083767|3.101914|0.059727|2.726974|5.169852|1.790451|1.711569|1.885599|6.634643|0.058225|0.053152|0.059640|0.078148|0.124892|0.115206|0.233084|0.189424|0.142366|0.147195|0.097245|0.109786|0.500000| |2.420944|2.217443|2.345594|2.805399|3.270956|2.937243|5.880906|4.566436|6.793365|12.415815|0.182413|7.219082|4.687665|17.616087|8.773057|6.867982|6.355466|4.179977|8.272265|3.149917|2.798562|2.320018|2.164594|3.145496|0.059427|2.754895|5.001682|1.850839|1.801343|2.031385|6.477871|0.062287|0.054774|0.059558|0.087240|0.112004|0.109400|0.167803|0.205609|0.182331|0.221202|0.113126|0.114479|0.301721|0.500000| |2.180865|2.070963|2.243203|2.659598|2.918780|2.560090|4.982166|3.657767|4.498265|9.309901|0.182517|6.672583|4.546148|8.818496|17.642246|8.975191|9.872570|6.803647|13.697071|4.594841|3.907371|3.061140|2.803879|4.112738|0.075508|3.767766|6.653183|2.305545|2.241060|2.570049|6.425174|0.055729|0.051651|0.058345|0.072803|0.098777|0.085722|0.114760|0.117324|0.243996|0.163178|0.113726|0.123173|0.173050|0.209964|0.500000| |2.081282|2.013766|2.219168|2.635346|2.806185|2.416536|4.741515|3.780380|4.706915|9.355773|0.217899|5.348561|4.084278|8.843721|17.519074|8.840437|9.426564|5.343884|8.957916|4.018770|3.300467|2.721292|2.622255|3.995191|0.075752|3.671955|7.013921|2.183464|2.067608|2.283823|6.592354|0.052865|0.050370|0.058522|0.067425|0.107687|0.088763|0.131055|0.114551|0.166477|0.125998|0.097780|0.117599|0.212159|0.172729|0.301113|0.500000| |1.776631|1.694905|1.811178|2.083649|2.249887|2.033445|3.677930|2.937349|3.725717|6.167348|0.122784|3.718004|2.934800|6.783120|8.797368|17.582337|12.658736|5.816833|9.034496|4.278602|3.367876|2.773846|2.721008|4.262805|0.081397|4.041791|8.141481|2.248797|2.076791|2.297726|4.994520|0.046176|0.042986|0.047714|0.058152|0.080122|0.073549|0.108673|0.099847|0.108111|0.099595|0.073444|0.080056|0.200636|0.166248|0.174864|0.214790|0.500000| |1.859230|1.745768|1.840952|2.117731|2.338502|2.146737|3.852047|2.936709|3.723866|6.315892|0.117171|4.161062|3.132725|7.090962|8.855860|17.575375|12.530303|7.248683|13.097881|4.730031|3.854666|3.032628|2.832329|4.252581|0.078593|3.986490|7.277057|2.320784|2.198442|2.521306|4.964449|0.048617|0.044167|0.047982|0.062495|0.077470|0.073271|0.101716|0.105123|0.123843|0.117943|0.080327|0.082450|0.174671|0.211811|0.211908|0.173894|0.301998|0.500000| |1.575304|1.523042|1.628916|1.841844|1.943050|1.767287|3.071853|2.355230|2.765017|4.569873|0.094932|3.051852|2.521313|4.238875|5.995525|8.942535|25.963651|9.426080|10.892295|7.481950|4.889196|3.891075|3.950566|6.785537|0.125017|7.748435|17.610353|3.040536|2.691439|2.981508|4.440020|0.041112|0.039027|0.043474|0.049985|0.065568|0.059136|0.077951|0.073712|0.093916|0.080666|0.065263|0.070584|0.113532|0.108324|0.152102|0.165782|0.230785|0.185483|0.500000| |1.536539|1.474557|1.544790|1.710554|1.813924|1.700302|2.775630|1.968521|2.176746|3.531159|0.070737|2.744167|2.346097|2.907212|3.566915|3.888331|6.619786|7.389446|14.217863|9.107579|17.732276|8.778591|5.693259|6.840923|0.110500|5.588377|7.581929|4.189143|4.394474|6.416470|3.998491|0.040658|0.038102|0.041088|0.048481|0.053607|0.049725|0.057682|0.060142|0.088158|0.075669|0.065360|0.064281|0.072240|0.082006|0.114423|0.091102|0.090911|0.109700|0.120287|0.500000| |1.125118|1.108138|1.166081|1.257089|1.284663|1.207256|1.894950|1.384993|1.482023|2.272928|0.047325|1.676445|1.535490|1.802093|2.097813|2.262165|3.710731|3.020819|4.808807|3.947903|4.290556|5.935227|8.794763|9.167313|0.192737|4.568837|6.829319|17.562745|8.623219|5.651337|2.977808|0.029907|0.029181|0.031794|0.033751|0.038838|0.035834|0.040728|0.040175|0.050987|0.045165|0.042181|0.043514|0.047916|0.048847|0.060779|0.058790|0.059602|0.060170|0.080067|0.099086|0.500000| |1.105426|1.080797|1.129533|1.217858|1.255874|1.188640|1.857606|1.357434|1.464615|2.234683|0.045941|1.647575|1.495380|1.795127|2.070723|2.288974|3.739472|3.078461|4.935416|4.029930|4.492197|6.357473|8.951486|8.833976|0.176224|4.526727|6.678962|17.521148|8.653247|6.273782|2.860632|0.029512|0.028453|0.030638|0.033472|0.037721|0.035265|0.040241|0.040115|0.049815|0.044977|0.041131|0.041875|0.047810|0.049354|0.059786|0.056899|0.060321|0.062217|0.080074|0.104096|0.302350|0.500000| |1.174081|1.154837|1.210552|1.300699|1.330874|1.256734|1.951629|1.400209|1.483196|2.283643|0.047266|1.732053|1.597836|1.780798|2.056454|2.154291|3.456794|2.935059|4.940779|3.710033|4.530515|6.528676|6.569606|6.318776|0.117080|3.709088|5.461926|8.824412|17.577353|8.798897|3.060927|0.031267|0.030442|0.032953|0.035149|0.039071|0.036126|0.040168|0.040380|0.053176|0.046852|0.044623|0.045136|0.046550|0.048760|0.061274|0.056853|0.055490|0.058210|0.071260|0.112217|0.223675|0.175108|0.500000| |1.105170|1.081292|1.125047|1.205084|1.240540|1.181464|1.817064|1.306449|1.390178|2.117204|0.043385|1.599359|1.470583|1.664937|1.893867|2.021188|3.202948|2.700192|4.581018|3.357005|4.078109|5.783287|5.821352|5.687409|0.107267|3.358729|5.013132|8.675464|17.606034|8.642632|2.812815|0.029597|0.028561|0.030535|0.033241|0.036207|0.033941|0.037739|0.038195|0.048543|0.043814|0.041077|0.041118|0.043798|0.046124|0.055864|0.051711|0.052462|0.055583|0.066034|0.102881|0.189764|0.219228|0.302915|0.500000| |1.232322|1.192637|1.236678|1.336165|1.395227|1.331268|2.068177|1.475991|1.591345|2.453813|0.049570|1.875908|1.687960|1.960633|2.249967|2.440381|3.907222|3.500684|6.129720|4.417172|6.165921|8.835765|6.361928|6.144147|0.106467|3.935605|5.619052|6.264628|8.685666|17.529962|3.099814|0.033009|0.031302|0.033251|0.037797|0.040453|0.038147|0.042816|0.044134|0.057516|0.052032|0.047340|0.046566|0.050808|0.055207|0.067618|0.059781|0.061727|0.068721|0.077929|0.163794|0.130559|0.162750|0.175505|0.220008|0.500000| 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