Version2.4 2021-04-30T18:55:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 26-Oct-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1c(c(oc1[C@H](C[NH3+])N2CC[NH+](CC2)C3CC3)Br)Br C50362188 RHF 6-31G(d) (6D,7F) c1c(c(oc1[C@H](C[NH3+])N2CC[NH+](CC2)C3CC3)Br)Br C01[X(C13H21Br2N3O1)] 114 C1 357 [NH3+]C[C@@H](c1oc(c(c1)Br)Br)N1CC[NH+](CC1)C1CC1 [NH3+]C[C@@H](c1oc(c(c1)Br)Br)N1CC[NH+](CC1)C1CC1 [NH3+]C[C@H](N1CC[NH+](CC1)C2CC2)c3oc(Br)c(Br)c3 InChIKey=UMOYSUJQYUVTFB-NSHDSACASA-P InChI=1S/C13H19Br2N3O/c14-10-7-12(19-13(10)15)11(8-16)18-5-3-17(4-6-18)9-1-2-9/h7,9,11H,1-6,8,16H2/p+2/t11-/m0/s1 InChI=1/C13H19Br2N3O/c14-10-7-12(19-13(10)15)11(8-16)18-5-3-17(4-6-18)9-1-2-9/h7,9,11H,1-6,8,16H2/p+2/t11-/m0/s1/fC13H21Br2N3O/h16-17H/q+2 c1c(c(oc1[C@H](C[NH3+])N2CC[NH+](CC2)C3CC3)Br)Br C01[X(C13H21Br2N3O1)] 114 C01 357 [NH3+]C[C@@H](c1oc(c(c1)Br)Br)N1CC[NH+](CC1)C1CC1 [NH3]C[C@@H](C1=[CH][C](=[C]([Br])O1)Br)N1CC[N@H](CC1)C1CC1 [NH3]C[C@H](N1CC[NH](CC1)C2CC2)c3oc(Br)c(Br)c3 InChIKey=IAYVMFJRYTVRQX-NSHDSACASA-N InChI=1S/C13H21Br2N3O/c14-10-7-12(19-13(10)15)11(8-16)18-5-3-17(4-6-18)9-1-2-9/h7,9,11,17H,1-6,8H2,16H3/t11-/m0/s1 InChI=1/C13H21Br2N3O/c14-10-7-12(19-13(10)15)11(8-16)18-5-3-17(4-6-18)9-1-2-9/h7,9,11,17H,1-6,8H2,16H3/t11-/m0/s1 2374.3230032650 -5881.8964537 1-A 11106.7399 98 259 357 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.27784 -490.25427 -64.68923 -64.66544 -58.82885 -58.82660 -58.82655 -58.80511 -58.80284 -58.80277 -20.88234 -15.96476 -15.95875 -15.84490 -11.56675 -11.56228 -11.55633 -11.55431 -11.54719 -11.53629 -11.53505 -11.53310 -11.52554 -11.50017 -11.47549 -11.47037 -11.46858 -9.93788 -9.91377 -7.68787 -7.67762 -7.67755 -7.66375 -7.65346 -7.65346 -3.42728 -3.42221 -3.42211 -3.41020 -3.41020 -3.40314 -3.39808 -3.39804 -3.38604 -3.38603 -1.72222 -1.60506 -1.59341 -1.51696 -1.39524 -1.35064 -1.34384 -1.32910 -1.28653 -1.23858 -1.21850 -1.18820 -1.16635 -1.13012 -1.09673 -1.08778 -1.06679 -1.05613 -1.05151 -1.04536 -0.99139 -0.97704 -0.96473 -0.94767 -0.93318 -0.92969 -0.91724 -0.91066 -0.89393 -0.88239 -0.87841 -0.85809 -0.84703 -0.83057 -0.82089 -0.80997 -0.80616 -0.80012 -0.79573 -0.76605 -0.75991 -0.75539 -0.75284 -0.73372 -0.68532 -0.68275 -0.67741 -0.65101 -0.64336 -0.62290 -0.59262 -0.59055 -0.52304 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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4.60901 4.62934 4.68988 4.70397 4.72042 4.88072 9.06257 9.10818 74.07517 74.79059
11.94216
22.0034 5.2957 5.2769 23.2387 |XX|YY|ZZ|XY|XZ|YZ| -12.4014 -88.9566 -105.4500 -9.9207 -4.9906 15.0086
|XX|YY|ZZ|XY|XZ|YZ| 56.5346 -20.0206 -36.5140 -9.9207 -4.9906 15.0086
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 367.8053 102.0059 -10.2841 -19.4881 -90.4345 -90.2103 -7.9110 24.8802 31.6719 35.5103
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -6238.2992 -935.6187 -1222.4273 -341.7257 -281.9223 106.4724 98.0299 97.3016 -1.5170 -1615.4527 -1558.9583 -340.5639 51.8769 44.8544 -6.9537
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393.00513 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 22.8530 31.5966 37.5076 54.2457 72.1148 103.4144 114.3296 131.5897 156.1095 181.0077 206.1029 228.2725 242.5644 248.7058 261.8654 282.7734 301.3496 330.6623 358.1879 394.7061 437.4729 449.8669 466.0733 485.4288 503.3835 530.6144 554.1562 596.1739 684.9068 736.1179 763.4889 813.5741 822.1384 842.5665 886.2540 908.1352 916.7666 925.0108 944.5419 974.8760 1013.3491 1015.1912 1041.3017 1048.5543 1070.1840 1072.4992 1089.6327 1117.3890 1144.5047 1154.1391 1157.8226 1172.4063 1193.2188 1212.6166 1213.0512 1241.0978 1245.1120 1257.9269 1270.0086 1274.8874 1280.5654 1302.8825 1311.8054 1325.2357 1351.7631 1362.1149 1411.0273 1432.6132 1454.0477 1468.8915 1472.7875 1488.9132 1507.0387 1519.7880 1530.9445 1537.2115 1552.7990 1558.1122 1580.1211 1597.0762 1614.3498 1618.4027 1631.4555 1640.2796 1645.6721 1648.6197 1662.0385 1677.2952 1684.4312 1716.3431 1805.7730 1830.6201 1841.9043 3164.5636 3178.9910 3220.9452 3287.2972 3288.5454 3300.0630 3305.2218 3334.2545 3335.9389 3345.4710 3350.9246 3359.7948 3369.8266 3379.6592 3419.2164 3432.2514 3451.1493 3613.9464 3666.1286 3703.7465 3730.9119 7.4961 4.6773 4.5832 3.1556 3.1145 10.8896 7.2803 3.5191 3.8650 5.8651 3.4377 3.2303 1.5758 4.2664 2.0258 2.2323 3.2681 2.9632 3.4826 5.7739 2.5068 3.2657 6.2059 4.4420 3.0825 3.0503 2.6164 3.1103 2.7383 5.4456 6.1817 2.0086 2.2833 1.4609 2.8460 1.6135 1.7628 1.9807 2.1169 1.5734 1.8237 1.6567 4.4898 3.1648 3.2217 2.7004 4.8236 2.7278 1.6471 2.1872 2.3187 1.5658 1.8478 1.9418 1.3153 1.2802 2.3915 1.4835 1.6822 2.0402 2.8722 1.8398 1.3658 1.6512 2.1127 3.3067 1.3069 1.3231 1.8079 1.2002 1.6160 1.4736 1.2945 1.5218 1.2158 1.3125 1.3633 1.3506 1.2685 1.4340 1.1454 1.1957 1.1258 1.0902 1.0948 1.0929 1.1110 1.3816 1.1821 9.4130 1.0594 6.0276 1.0621 1.0748 1.0748 1.0862 1.0618 1.0807 1.0621 1.0699 1.0925 1.0562 1.0618 1.1114 1.1127 1.1095 1.0932 1.1204 1.1167 1.1013 1.0344 1.0782 1.0932 1.0956 0.0023 0.0028 0.0038 0.0055 0.0095 0.0686 0.0561 0.0359 0.0555 0.1132 0.0860 0.0992 0.0546 0.1555 0.0818 0.1052 0.1749 0.1909 0.2633 0.5300 0.2827 0.3894 0.7943 0.6167 0.4602 0.5060 0.4734 0.6513 0.7568 1.7386 2.1231 0.7833 0.9093 0.6111 1.3170 0.7840 0.8729 0.9985 1.1128 0.8810 1.1034 1.0060 2.8684 2.0501 2.1739 1.8301 3.3743 2.0066 1.2712 1.7165 1.8314 1.2681 1.5501 1.6823 1.1403 1.1619 2.1845 1.3831 1.5986 1.9537 2.7750 1.8401 1.3848 1.7086 2.2745 3.6147 1.5330 1.5999 2.2520 1.5258 2.0653 1.9247 1.7322 2.0710 1.6790 1.8274 1.9367 1.9319 1.8661 2.1550 1.7587 1.8452 1.7654 1.7282 1.7470 1.7502 1.8082 2.2900 1.9761 16.3375 2.0354 11.9012 2.1231 6.3417 6.3994 6.6394 6.7601 6.8861 6.8148 6.8861 7.1557 6.9254 7.0016 7.3524 7.4004 7.4235 7.3572 7.7174 7.7507 7.7283 7.9596 8.5382 8.8356 8.9852 1.1957 0.5319 4.1254 1.7410 4.9342 6.6480 3.2115 18.3980 0.8261 0.6624 5.8912 3.5204 4.4738 20.6155 0.5294 2.8741 9.4781 10.4060 3.9570 6.7907 6.6142 0.6715 2.9973 1.4427 4.1887 1.4391 0.3890 1.3484 0.7493 5.1258 0.2097 3.4318 5.6565 1.3743 14.9431 27.8110 5.6216 2.5080 21.1035 3.4465 13.1937 25.7416 31.9111 25.1082 40.0976 11.7416 68.7710 31.3360 20.2760 13.2873 14.6934 61.2597 41.6661 6.0709 15.5125 3.0700 10.2677 2.7696 13.8813 12.5402 99.5116 22.0993 1.9278 1.2469 4.7597 55.6065 21.8745 20.5245 10.4861 29.2436 15.1863 41.8735 13.4843 54.2780 13.9264 4.7062 20.6303 7.4155 38.0824 11.4185 13.8058 7.9174 7.0060 10.2863 18.1321 26.8394 4.4132 8.3557 210.7028 80.9660 28.1377 5.1610 57.7251 17.2722 26.0776 5.9110 0.9264 5.6122 2.8998 8.3679 2.9467 1.7258 3.9962 1.4392 5.1426 1.5931 0.0575 0.4331 0.5989 7.1206 52.6489 48.8573 225.2322 175.9874 1.0689 0.8243 0.6750 0.2324 0.2830 1.1369 0.3953 0.1581 0.2548 1.8205 0.7569 1.7548 0.2470 1.1585 0.1567 0.9639 2.4307 0.4208 0.7382 1.6228 0.7081 1.5595 4.2304 1.0021 0.3358 3.6396 3.5211 1.8109 2.9135 0.6689 3.4423 14.0321 3.6573 4.2115 8.0686 4.8864 4.3395 0.8619 5.0696 4.1727 3.3505 3.0038 4.4388 7.8406 1.0000 8.8700 1.7405 3.7682 0.7955 15.9185 4.0871 8.5129 7.7849 17.4505 0.4166 2.2774 7.0003 2.9922 4.0794 9.7865 4.7501 4.8203 4.7827 3.9690 18.8607 12.2494 5.0272 2.0214 10.7825 19.3241 5.1740 15.5544 4.0789 5.4728 0.5231 7.1859 0.2907 0.4778 5.6245 3.2440 11.1199 6.2344 7.0409 3.3344 6.0224 5.6549 9.5685 3.0138 1.8426 136.5338 9.7740 55.8072 4.0405 33.6436 57.4824 46.1907 44.1211 31.5968 37.9910 132.9692 76.2040 31.7037 141.0191 28.5354 65.7274 56.1758 73.7317 63.2012 43.7739 55.8189 70.0935 29.4847 24.6078 40.1959 0.7463 0.7200 0.7216 0.6765 0.7333 0.7485 0.6821 0.5880 0.5238 0.0467 0.5884 0.6958 0.6772 0.1796 0.2073 0.4297 0.1602 0.3867 0.2176 0.4442 0.5705 0.4832 0.2456 0.7441 0.6266 0.7300 0.2530 0.7499 0.2687 0.6067 0.5674 0.2491 0.2570 0.0447 0.1035 0.7401 0.4096 0.4665 0.4361 0.6117 0.4986 0.7119 0.1657 0.2746 0.4356 0.7112 0.1915 0.5559 0.4308 0.5297 0.7136 0.6185 0.7091 0.5857 0.5908 0.7470 0.3641 0.2805 0.2909 0.3411 0.4926 0.6614 0.7495 0.7327 0.1894 0.7033 0.5374 0.6979 0.7411 0.7353 0.4667 0.5979 0.7297 0.5267 0.7371 0.5651 0.7460 0.3304 0.7152 0.1980 0.6621 0.5477 0.7352 0.7248 0.6261 0.7429 0.7236 0.5470 0.3422 0.2027 0.7500 0.4309 0.6482 0.1929 0.1546 0.2466 0.2340 0.3506 0.3412 0.0530 0.2838 0.1893 0.0577 0.6526 0.7253 0.6283 0.2370 0.7247 0.5948 0.3302 0.0527 0.2179 0.5737 0.6608 0.8547 0.8372 0.8383 0.8070 0.8461 0.8562 0.8110 0.7405 0.6875 0.0893 0.7409 0.8206 0.8075 0.3046 0.3434 0.6011 0.2761 0.5577 0.3574 0.6151 0.7265 0.6516 0.3944 0.8533 0.7704 0.8439 0.4038 0.8571 0.4236 0.7552 0.7240 0.3989 0.4090 0.0857 0.1877 0.8506 0.5812 0.6363 0.6073 0.7591 0.6654 0.8317 0.2844 0.4309 0.6069 0.8312 0.3214 0.7146 0.6022 0.6925 0.8329 0.7643 0.8298 0.7388 0.7428 0.8552 0.5338 0.4381 0.4507 0.5087 0.6600 0.7962 0.8568 0.8457 0.3185 0.8258 0.6991 0.8221 0.8513 0.8475 0.6364 0.7484 0.8437 0.6900 0.8487 0.7221 0.8545 0.4967 0.8340 0.3305 0.7967 0.7078 0.8474 0.8405 0.7701 0.8525 0.8396 0.7071 0.5100 0.3371 0.8571 0.6022 0.7866 0.3234 0.2678 0.3956 0.3792 0.5192 0.5088 0.1006 0.4422 0.3184 0.1090 0.7898 0.8408 0.7717 0.3832 0.8404 0.7459 0.4964 0.1001 0.3579 0.7291 0.7958
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 6 6 6 8 6 6 1 6 7 1 1 1 7 6 6 7 1 6 6 6 6 6 35 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 1.00783 1.00783 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 78.91834 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
4416.0716 18785.2357 19288.0825 0.99986 -0.00501 -0.01596 0.01024 0.93782 0.34698 0.01323 -0.34710 0.93774 1 0.01961 0.00461 0.00449 0.40868 0.09607 0.09357 32.88 45.46 53.97 78.05 103.76 148.79 164.49 189.33 224.61 260.43 296.54 328.43 349.00 357.83 376.77 406.85 433.57 475.75 515.35 567.89 629.43 647.26 670.58 698.42 724.26 763.44 797.31 857.76 985.43 1059.11 1098.49 1170.55 1182.87 1212.27 1275.12 1306.60 1319.02 1330.88 1358.99 1402.63 1457.98 1460.63 1498.20 1508.64 1539.76 1543.09 1567.74 1607.67 1646.69 1660.55 1665.85 1686.83 1716.78 1744.68 1745.31 1785.66 1791.44 1809.88 1827.26 1834.28 1842.45 1874.56 1887.40 1906.72 1944.89 1959.78 2030.15 2061.21 2092.05 2113.41 2119.01 2142.21 2168.29 2186.64 2202.69 2211.70 2234.13 2241.78 2273.44 2297.84 2322.69 2328.52 2347.30 2360.00 2367.76 2372.00 2391.30 2413.25 2423.52 2469.43 2598.10 2633.85 2650.09 4553.10 4573.86 4634.22 4729.69 4731.48 4748.05 4755.48 4797.25 4799.67 4813.39 4821.23 4834.00 4848.43 4862.58 4919.49 4938.24 4965.43 5199.66 5274.74 5328.87 5367.95 0.372043 0.390095 0.391039 0.322369 -5881.524410 -5881.506358 -5881.505414 -5881.574085 2.303237D-04
MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE c1c(c(oc1[C@H](C[NH3+])N2CC[NH+](CC2)C3CC3)Br)Br C50362188 RHF 6-31G(d) (6D,10F) C1 393.005135 |X|Y|Z| 34.158056 35.995537 92.976626
48.533155 15 6 7 8 12 2 1
|36.858105| |13.215999|36.858105| |8.571210|14.257741|36.858105| |8.608253|8.625759|14.067672|73.516695| |14.264006|8.574462|8.707643|24.812775|36.858105| |7.319414|5.135124|5.314572|13.912265|12.724366|36.858105| |7.017216|4.694698|4.476352|10.273898|9.179187|17.522958|0.500000| |5.237702|4.211493|4.595299|11.575518|7.635939|12.374986|0.250076|36.858105| |4.435294|3.975517|4.760988|12.313675|6.289763|7.617672|0.155251|12.675408|53.358707| |3.679508|3.387598|3.972485|9.313996|4.806745|5.614407|0.126383|9.061527|25.642411|0.500000| |4.106111|3.698336|4.423073|11.290662|5.756326|7.187231|0.145843|9.185711|25.641808|0.321966|0.500000| |4.874619|4.619214|5.982444|16.341245|6.947203|6.912767|0.142038|9.100881|25.587647|0.322162|0.325520|0.500000| |5.280014|4.158532|4.442483|10.986936|7.601742|12.860882|0.249367|7.740182|8.933998|0.139496|0.212277|0.160550|53.358707| |5.325224|4.372942|4.591016|10.456150|6.818052|7.676277|0.176224|5.081439|6.478972|0.106660|0.150874|0.128659|17.717825|36.858105| |3.754502|3.323581|3.536637|7.549932|4.467742|4.998036|0.122188|3.928025|5.337296|0.092631|0.128861|0.104461|10.560154|12.527270|36.858105| |3.201024|2.784767|2.879871|6.039166|3.704862|4.405853|0.115419|3.618468|4.714843|0.084617|0.111510|0.089154|8.895370|7.633740|12.693100|53.358707| |3.262264|2.793250|2.805081|5.763387|3.650520|4.279091|0.117657|3.423340|4.306015|0.077534|0.098377|0.082290|8.063770|7.130603|9.308890|25.659052|0.500000| |3.212058|2.738080|2.851057|6.163616|3.846134|5.030540|0.132264|4.336911|5.481882|0.098965|0.131240|0.098403|10.486539|6.643513|7.790686|17.325295|0.260660|36.858105| |4.072612|3.266037|3.349827|7.535147|5.110386|7.853644|0.211735|6.071031|6.756228|0.116633|0.155211|0.118340|17.738092|8.001520|6.712747|10.467043|0.200113|12.506261|36.858105| |2.590357|2.339148|2.428882|4.924508|2.909312|3.297876|0.087090|2.875727|3.875685|0.071791|0.090722|0.074260|5.989720|4.988427|7.726242|17.334846|0.263189|7.461647|4.928976|36.858105| |2.295506|2.114223|2.236249|4.530353|2.596844|2.932720|0.076330|2.694703|3.764837|0.071343|0.089101|0.071721|5.165015|4.016303|5.695123|9.874726|0.156478|6.072493|4.145621|12.760884|36.858105| |2.221769|2.013909|2.080977|4.180543|2.469306|2.820516|0.075995|2.565411|3.442856|0.065437|0.079346|0.065301|4.860625|3.732884|4.941309|9.849760|0.175921|6.185398|4.183274|12.764073|12.718958|36.858105| |4.704016|6.538332|10.355191|12.371675|4.855819|3.684740|0.088596|3.491456|5.337017|0.096929|0.103774|0.136345|4.569458|3.487054|2.965363|3.327732|0.065247|2.401568|2.671986|2.153803|2.043001|1.871394|2539.412838| |6.464566|10.282235|6.644960|8.437572|4.735198|3.479058|0.093610|3.024488|3.929060|0.071695|0.075708|0.090035|4.088801|3.204346|2.625817|3.094773|0.064200|2.205533|2.531424|1.978479|1.799423|1.733049|175.045671|2539.412838| |17.792959|8.486248|5.853052|10.412254|8.804427|6.286756|0.193284|4.600885|5.128736|0.089505|0.097894|0.110205|6.416842|4.757412|3.468572|4.196211|0.089689|3.093706|3.931156|2.504794|2.197071|2.172504|128.268506|200.518953|0.500000| |5.346102|4.353660|4.622373|10.827550|7.088212|8.763324|0.214253|17.646623|12.355324|0.216357|0.180234|0.221594|7.610339|4.159235|3.281873|4.141506|0.081638|3.519525|4.675702|2.488854|2.339676|2.249654|119.391250|107.707438|0.132089|0.500000| |4.189089|3.435144|3.657313|8.552601|5.532042|8.701929|0.214619|17.650950|12.441066|0.224812|0.218218|0.180091|9.487860|4.565341|3.753136|4.991160|0.096040|4.675965|6.574757|2.932200|2.778775|2.683928|99.695567|88.711872|0.107828|0.301515|0.500000| |5.639516|4.429541|4.304006|9.107236|6.420699|6.849234|0.180334|4.485395|5.420182|0.091929|0.119535|0.108593|12.207692|17.469355|8.852194|9.302060|0.207847|5.777820|7.110918|4.622617|3.605808|3.538376|109.693508|113.687750|0.149744|0.106949|0.113616|0.500000| |5.915478|5.193325|5.765796|13.243387|7.647497|6.993808|0.154067|4.875578|6.638040|0.108141|0.152121|0.140999|12.366817|17.659923|9.056671|7.624333|0.145290|4.970275|5.725078|4.173918|3.547527|3.214438|144.907218|123.771102|0.136892|0.114359|0.116241|0.302850|0.500000| |3.509646|3.204871|3.357430|6.790454|3.952541|4.124302|0.103998|3.298555|4.497067|0.079548|0.104994|0.090478|7.646048|8.859288|17.634251|12.348179|0.223822|5.651365|5.007694|7.275420|5.261651|4.635736|98.049862|89.051720|0.091087|0.079293|0.086995|0.215992|0.216197|0.500000| |3.433777|3.139487|3.470518|7.493607|4.164944|4.638469|0.109967|3.916600|5.689796|0.099501|0.143909|0.110957|9.480507|8.792717|17.640321|12.447080|0.181976|7.090990|5.877042|7.095617|6.228075|4.824687|103.104889|84.556372|0.086530|0.090246|0.104287|0.172962|0.216082|0.301009|0.500000| |2.830399|2.426914|2.487267|5.232969|3.273477|4.172640|0.115497|3.738863|4.655836|0.086740|0.107372|0.084072|7.628936|4.978570|5.645681|12.332660|0.226051|17.664155|8.873670|6.857310|5.748411|6.793073|72.260180|68.268918|0.077440|0.087236|0.114950|0.130068|0.109311|0.126740|0.144210|0.500000| |3.001629|2.628264|2.810743|6.123318|3.645626|4.673152|0.117459|4.337997|5.879418|0.107806|0.147559|0.103821|9.441191|5.824687|7.063006|12.401818|0.182246|17.658498|8.817268|6.849995|6.701777|5.958216|82.693096|72.028773|0.078717|0.096921|0.130832|0.133567|0.130592|0.144025|0.212782|0.300223|0.500000| |3.723773|3.023040|3.115677|6.977237|4.643722|7.241393|0.201822|6.770783|7.164495|0.128301|0.159249|0.119634|12.330361|5.713285|4.991497|7.650548|0.146543|9.042423|17.609300|4.100436|3.691450|3.736662|86.005493|80.682104|0.100313|0.142821|0.237505|0.143966|0.126895|0.109586|0.130985|0.217141|0.215992|0.500000| |4.164559|3.254139|3.199443|6.912005|4.890073|6.990173|0.222037|5.163276|5.588263|0.098420|0.121802|0.101886|12.255306|7.149733|5.848741|9.392905|0.211309|8.851875|17.448900|4.581310|3.707586|3.942475|85.902952|87.534435|0.117497|0.118668|0.151381|0.211825|0.144462|0.131137|0.134768|0.216527|0.173258|0.303471|0.500000| |2.536659|2.321053|2.389841|4.737202|2.783839|3.040124|0.080740|2.620552|3.535079|0.065436|0.081459|0.069112|5.329577|4.703412|7.123879|12.366786|0.230561|5.536870|4.167467|17.742077|8.627440|8.640210|72.629391|67.859803|0.068407|0.064032|0.072908|0.125890|0.113175|0.223079|0.174120|0.142715|0.140965|0.096862|0.112029|0.500000| |2.124320|1.992908|2.114077|4.207791|2.371981|2.603001|0.067667|2.408079|3.411124|0.065104|0.079903|0.066069|4.439645|3.523632|4.856437|7.476203|0.126578|4.582404|3.421078|8.676964|17.733565|8.530414|67.116759|58.537323|0.056362|0.058920|0.068121|0.088778|0.089788|0.133366|0.149545|0.120762|0.138673|0.085726|0.086610|0.213784|0.500000| |2.341237|2.153358|2.307630|4.753230|2.699464|3.107243|0.079654|2.935455|4.183365|0.079859|0.101077|0.078349|5.520203|4.056649|5.510036|9.068884|0.140722|6.574438|4.426881|8.544441|17.726248|8.643842|71.894693|61.636431|0.061691|0.069912|0.085147|0.098163|0.099966|0.132711|0.179841|0.167433|0.233862|0.112648|0.105209|0.170494|0.293766|0.500000| |2.214259|1.985021|2.044247|4.138021|2.472945|2.893330|0.078931|2.673834|3.532881|0.067663|0.080972|0.066000|4.942240|3.600877|4.480534|9.014188|0.165364|6.796336|4.494458|8.530024|8.635527|17.740315|62.093829|57.927787|0.060486|0.064959|0.079493|0.095171|0.085293|0.112332|0.121377|0.239591|0.179362|0.115240|0.117356|0.170565|0.171040|0.213758|0.500000| |2.027424|1.855120|1.902033|3.754498|2.211695|2.472252|0.067287|2.254721|3.021868|0.057811|0.068563|0.057980|4.118245|3.209012|4.096609|7.465042|0.144727|4.666289|3.458128|8.696242|8.536888|17.733868|58.764027|55.287741|0.055471|0.055816|0.065081|0.086631|0.078522|0.112443|0.110011|0.142050|0.123972|0.086986|0.093404|0.214779|0.206969|0.171053|0.294037|0.500000|
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