Version2.4 2021-04-30T06:00:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 02-Nov-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cc(cc(c1O[C@H]2CCC[C@H]2O)Br)C[NH3+] C37712032 RHF 6-31G(d) (6D,7F) CCOc1cc(cc(c1O[C@H]2CCC[C@H]2O)Br)C[NH3+] C01[X(C14H21Br1N1O3)] 114 C1 342 CCOc1cc(C[NH3+])cc(c1O[C@H]1CCC[C@H]1O)Br CCOc1cc(C[NH3+])cc(c1O[C@H]1CCC[C@H]1O)Br CCOc1cc(C[NH3+])cc(Br)c1O[C@H]2CCC[C@H]2O InChIKey=KLUMTROILLYGOA-NEPJUHHUSA-O InChI=1S/C14H20BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8,16H2,1H3/p+1/t11-,12+/m1/s1 InChI=1/C14H20BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8,16H2,1H3/p+1/t11-,12+/m1/s1/fC14H21BrNO3/h16H/q+1 CCOc1cc(cc(c1O[C@H]2CCC[C@H]2O)Br)C[NH3+] C01[X(C14H21Br1N1O3)] 114 C01 342 CCOc1cc(C[NH3+])cc(c1O[C@H]1CCC[C@H]1O)Br CCO[C]1[CH][C]([CH][C]([C]1O[C@H]1CCC[C@H]1O)Br)C[NH3] CCO[C]1[CH][C]([CH][C](Br)[C]1O[C@H]2CCC[C@H]2O)C[NH3] InChIKey=HKGIIHIPNNVKOK-NEPJUHHUSA-N InChI=1S/C14H21BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8H2,1,16H3/t11-,12+/m1/s1 InChI=1/C14H21BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8H2,1,16H3/t11-,12+/m1/s1 1969.1536782888 -3391.0552909 1-A 7114.6722 85 257 342 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.16672 -64.57748 -58.71672 -58.71470 -58.71455 -20.69723 -20.67062 -20.62293 -15.88552 -11.47473 -11.42828 -11.41999 -11.40989 -11.39342 -11.38606 -11.37481 -11.36932 -11.36362 -11.34592 -11.30206 -11.28792 -11.28738 -11.28703 -9.82508 -7.57444 -7.56512 -7.56491 -3.31356 -3.30908 -3.30884 -3.29796 -3.29795 -1.53863 -1.50635 -1.50365 -1.43465 -1.30193 -1.21356 -1.18863 -1.17734 -1.12774 -1.09884 -1.08557 -1.03669 -1.03084 -0.98401 -0.97423 -0.96527 -0.93502 -0.91350 -0.87192 -0.86627 -0.84611 -0.82988 -0.82295 -0.80821 -0.78003 -0.77912 -0.76113 -0.74765 -0.73211 -0.71630 -0.70697 -0.69628 -0.67555 -0.66213 -0.66027 -0.64987 -0.63565 -0.63196 -0.61810 -0.61311 -0.59452 -0.59036 -0.58026 -0.57597 -0.56484 -0.54910 -0.54126 -0.53298 -0.50988 -0.50517 -0.49317 -0.44416 -0.43142 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.02431 0.00869 0.01687 0.06624 0.07082 0.07455 0.09681 0.13312 0.14008 0.14584 0.15433 0.16820 0.17326 0.19149 0.19269 0.20633 0.21040 0.21772 0.22675 0.23578 0.24071 0.24759 0.25272 0.25778 0.25985 0.26442 0.27319 0.28393 0.29795 0.31138 0.31521 0.33070 0.34705 0.35800 0.35922 0.37649 0.38970 0.40559 0.41217 0.42208 0.42616 0.44241 0.50648 0.52484 0.53846 0.54611 0.55535 0.56024 0.56774 0.57403 0.57643 0.58841 0.60634 0.62124 0.63061 0.63436 0.65513 0.65758 0.66433 0.67625 0.68864 0.69191 0.70504 0.71354 0.72830 0.73669 0.73763 0.75351 0.75717 0.76546 0.76983 0.78523 0.79275 0.80981 0.82742 0.83768 0.84394 0.85405 0.86362 0.87049 0.87823 0.88557 0.89931 0.91091 0.91770 0.92163 0.92993 0.94129 0.94358 0.95658 0.96848 0.97942 0.99476 1.00020 1.00235 1.02737 1.04346 1.04479 1.04730 1.05340 1.05741 1.07597 1.08123 1.08732 1.09305 1.09715 1.10170 1.10912 1.11543 1.11999 1.13268 1.13591 1.15200 1.16566 1.17310 1.17599 1.18064 1.20056 1.20657 1.22195 1.25152 1.26901 1.29430 1.29700 1.33260 1.34011 1.36319 1.36811 1.40138 1.41109 1.42836 1.43379 1.45246 1.47393 1.48841 1.52561 1.53587 1.55880 1.58554 1.60233 1.62473 1.63068 1.65016 1.66479 1.67569 1.69567 1.73095 1.73993 1.76244 1.77824 1.79481 1.82056 1.83249 1.87889 1.89314 1.89487 1.91435 1.93364 1.96118 1.98491 1.99141 2.00513 2.03036 2.03871 2.05362 2.06526 2.07141 2.08181 2.08964 2.11415 2.12115 2.12712 2.13486 2.14707 2.16592 2.17087 2.17978 2.19673 2.23124 2.23825 2.24906 2.25935 2.26851 2.30098 2.30390 2.31175 2.33675 2.35875 2.37925 2.38602 2.39512 2.41758 2.42987 2.43286 2.43794 2.47298 2.47643 2.49053 2.50417 2.51859 2.53508 2.55589 2.55857 2.57059 2.61260 2.61362 2.63299 2.64038 2.66811 2.67795 2.75043 2.75665 2.76239 2.78763 2.83085 2.83176 2.85770 2.88433 2.89629 2.90537 2.91369 2.94627 2.96627 2.97794 2.99494 3.02026 3.02890 3.10225 3.14706 3.16458 3.20119 3.21619 3.29816 3.30787 3.41521 3.57062 3.69117 3.96443 4.15750 4.34518 4.39289 4.43055 4.51427 4.55157 4.57778 4.59120 4.65027 4.69984 4.72295 4.75999 4.78695 4.93651 5.01654 5.04123 5.38427 9.21935 75.12383 11.07794 18.3668 1.7509 7.4860 19.9110 |XX|YY|ZZ|XY|XZ|YZ| -5.5736 -106.1749 -112.6244 7.7777 29.3993 -1.3189 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330.07048 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| 24.2389 35.6008 46.5295 53.4276 60.6516 89.3763 102.5113 117.6651 124.1902 132.2979 154.7991 195.0544 213.7459 232.6912 243.1781 275.3756 279.8023 286.0585 304.3052 312.5364 338.4507 402.8996 414.3964 435.8357 467.3263 515.3255 592.8108 622.7442 642.1521 673.0332 698.1634 719.5637 776.3974 826.0699 846.4490 863.8599 898.9596 903.5322 912.4140 930.8706 938.7745 946.8993 970.2927 975.1090 993.6570 1001.4125 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1.4128 1.8551 3.4262 2.1328 1.8490 1.6176 1.7804 3.2568 2.1230 2.1069 1.9457 2.1642 3.9418 2.2350 1.5871 1.3641 1.5692 2.1030 1.3751 1.1904 3.0335 1.3341 1.1045 1.3647 1.3562 2.3939 1.5449 1.3761 1.4679 1.3744 1.2548 1.3160 1.4787 1.5862 2.6214 1.0413 1.1062 1.1007 1.0809 1.0910 3.5071 1.1227 1.2151 1.1940 6.5343 4.8895 1.0440 1.0495 1.0573 1.0688 1.0374 1.0792 1.0755 1.0764 1.1083 1.0759 1.1021 1.1036 1.0606 1.1030 1.1056 1.0988 1.1136 1.0937 1.0916 1.0317 1.0957 1.0954 1.0671 0.0013 0.0034 0.0053 0.0055 0.0087 0.0094 0.0116 0.0305 0.0322 0.0535 0.0556 0.0465 0.1557 0.0524 0.1534 0.0567 0.0940 0.0630 0.2222 0.2966 0.2223 0.4164 0.2969 0.4339 0.4925 0.9036 0.9745 1.0302 1.3302 1.1443 1.0238 1.0289 0.8020 0.9577 1.4302 1.4717 1.4072 0.5892 1.1053 0.8144 1.8801 1.2167 0.8677 1.1204 1.4953 0.8347 1.1640 2.3718 1.4987 1.3534 1.2633 1.4090 2.5963 1.7075 1.7350 1.7535 1.9659 3.8340 2.1962 1.5788 1.3590 1.6363 2.2669 1.4998 1.3550 3.5456 1.5974 1.3367 1.6665 1.6648 3.0609 1.9851 1.7941 1.9747 1.8929 1.7672 1.8712 2.1805 2.3632 3.9422 1.6234 1.7348 1.7451 1.7172 1.7338 5.7090 1.8359 1.9954 1.9777 11.9564 9.1027 2.0318 2.0662 6.3937 6.5073 6.3603 6.6245 6.6295 6.6670 6.8947 6.7099 6.9094 7.0164 6.7720 7.0590 7.1404 7.1157 7.3938 7.3719 7.3873 7.9804 8.9921 9.0034 10.6206 1.8786 4.5257 10.3145 6.5058 7.7813 1.1221 2.0668 0.7009 10.9001 1.9624 0.9331 0.5474 2.4117 1.1498 5.1284 2.6160 19.0533 106.7796 10.4184 6.1042 5.7001 11.2411 0.7924 4.1224 12.6368 5.1594 3.9745 1.7800 5.3434 7.0567 5.9169 9.5650 3.5246 2.0502 37.3239 21.8344 46.6360 3.7549 2.6733 10.7035 2.1241 21.3000 15.6021 15.1618 22.6072 8.7596 2.5355 19.7882 43.0905 3.0033 5.6256 11.0563 145.2944 135.4983 29.1400 65.4401 14.9050 75.6682 157.9130 11.8946 5.1654 34.0697 14.4807 18.9767 24.7183 148.4342 1.9252 3.5509 16.7715 34.2027 209.5481 19.7427 7.5752 11.2917 161.8914 28.8574 42.5069 150.6364 36.4806 52.7565 6.1914 6.7287 4.0203 1.1806 7.9754 263.1731 10.7705 186.4111 19.0413 130.2952 4.3852 64.3190 48.9193 36.4965 9.6656 18.1191 26.9925 35.1775 89.6718 34.4463 35.5436 14.0371 32.0456 5.7721 30.4711 29.6945 26.0914 0.5836 2.0184 5.8952 63.6062 107.3971 100.3130 70.9955 0.3955 0.3597 0.3927 0.4742 0.8950 0.1336 0.1894 0.4397 0.9389 0.7191 0.5781 0.4699 1.3540 0.3051 2.3728 0.2307 1.7151 4.3718 4.4121 2.6253 1.6987 1.2993 0.7197 0.6187 3.1295 2.6645 1.3054 0.5737 3.4897 1.3085 1.8846 1.1324 1.4439 1.2011 5.1774 3.8409 14.1862 2.0330 5.5216 2.3648 26.1309 5.5292 1.2880 2.8215 1.3219 1.5529 3.4116 9.4942 2.6259 5.4478 14.5393 16.5170 17.5613 3.9330 6.4047 1.0250 16.0485 27.8651 4.7263 1.5933 1.2321 6.4965 5.2540 6.3214 10.2785 6.7490 3.3813 11.6630 2.9578 6.0652 19.7708 2.7952 5.2193 6.1846 31.5333 0.9365 11.5274 5.5216 5.0002 11.8588 19.2586 19.2375 3.9951 17.3094 9.3727 22.0241 6.6072 0.3461 15.8764 14.0115 104.6520 6.9980 7.1043 45.5762 46.1241 144.2761 33.8166 19.9588 21.4431 60.7281 201.3885 79.8951 96.9919 98.4565 86.2854 34.5912 37.8370 45.1796 61.1329 67.6890 110.9761 106.0675 34.6243 120.3958 0.7365 0.7152 0.6478 0.7463 0.7192 0.7315 0.7213 0.6801 0.7469 0.6344 0.3734 0.7474 0.7500 0.1616 0.5378 0.1731 0.4012 0.4857 0.1155 0.3095 0.2533 0.7457 0.7150 0.6634 0.0359 0.2855 0.5448 0.6390 0.3209 0.3764 0.4613 0.3610 0.3756 0.3347 0.5113 0.2282 0.1837 0.4807 0.2339 0.7358 0.0675 0.0496 0.7455 0.3659 0.4147 0.7047 0.2807 0.4097 0.6432 0.7241 0.5985 0.6626 0.7473 0.6889 0.4595 0.7159 0.1596 0.3871 0.4301 0.7056 0.7059 0.6369 0.1523 0.6848 0.7281 0.2452 0.5098 0.7417 0.7321 0.3921 0.1053 0.1637 0.7439 0.5772 0.4408 0.4569 0.5845 0.5506 0.7128 0.3060 0.7478 0.7413 0.6954 0.7500 0.5221 0.2288 0.5820 0.5951 0.6563 0.7102 0.5563 0.7498 0.6453 0.2033 0.4581 0.0291 0.7456 0.5638 0.7010 0.6768 0.0241 0.5013 0.6750 0.0850 0.7124 0.7492 0.5097 0.7499 0.3136 0.2620 0.0880 0.5489 0.6377 0.3120 0.8483 0.8340 0.7863 0.8547 0.8366 0.8449 0.8381 0.8096 0.8551 0.7763 0.5438 0.8555 0.8571 0.2783 0.6994 0.2952 0.5726 0.6538 0.2071 0.4727 0.4043 0.8543 0.8338 0.7976 0.0693 0.4442 0.7053 0.7797 0.4859 0.5470 0.6313 0.5304 0.5461 0.5015 0.6766 0.3716 0.3104 0.6493 0.3791 0.8478 0.1265 0.0945 0.8542 0.5358 0.5863 0.8268 0.4384 0.5813 0.7828 0.8400 0.7488 0.7971 0.8554 0.8158 0.6297 0.8344 0.2753 0.5581 0.6015 0.8274 0.8276 0.7782 0.2643 0.8129 0.8426 0.3938 0.6753 0.8517 0.8453 0.5634 0.1905 0.2813 0.8532 0.7319 0.6119 0.6272 0.7378 0.7102 0.8323 0.4687 0.8557 0.8514 0.8204 0.8571 0.6860 0.3723 0.7358 0.7461 0.7925 0.8305 0.7149 0.8570 0.7844 0.3379 0.6284 0.0565 0.8543 0.7211 0.8242 0.8072 0.0470 0.6678 0.8060 0.1567 0.8321 0.8566 0.6752 0.8571 0.4774 0.4153 0.1617 0.7087 0.7788 0.4756 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 8 6 6 6 6 6 6 8 6 1 6 6 6 6 1 8 35 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 15.99491 78.91834 12.00000 14.00307 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 5591.7881 7786.6219 11825.0309 0.99998 0.00614 -0.00018 -0.00614 0.99981 -0.01823 0.00007 0.01823 0.99983 1 0.01549 0.01112 0.00732 0.32275 0.23177 0.15262 34.87 51.22 66.95 76.87 87.26 128.59 147.49 169.29 178.68 190.35 222.72 280.64 307.53 334.79 349.88 396.20 402.57 411.57 437.83 449.67 486.96 579.68 596.22 627.07 672.38 741.44 852.92 895.99 923.91 968.34 1004.50 1035.29 1117.06 1188.53 1217.85 1242.90 1293.40 1299.98 1312.76 1339.32 1350.69 1362.38 1396.03 1402.96 1429.65 1440.81 1484.78 1559.56 1571.25 1603.66 1656.49 1667.49 1673.59 1681.05 1700.96 1779.48 1786.49 1848.62 1858.09 1869.51 1870.86 1914.07 1946.10 1957.61 1999.82 2026.46 2051.08 2062.03 2071.30 2076.74 2119.55 2124.75 2140.22 2174.04 2199.78 2224.45 2235.12 2276.18 2287.88 2298.65 2340.42 2347.38 2360.18 2362.56 2362.96 2391.54 2396.94 2402.07 2412.38 2535.53 2557.53 2614.89 2630.12 4609.34 4625.15 4641.15 4644.02 4653.86 4664.89 4675.27 4681.09 4693.40 4726.34 4736.51 4741.90 4763.58 4769.97 4829.99 4866.51 4876.15 5213.27 5369.63 5373.83 5913.43 0.367486 0.386679 0.387624 0.317273 -3390.687805 -3390.668612 -3390.667667 -3390.738018 2.359584D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE CCOc1cc(cc(c1O[C@H]2CCC[C@H]2O)Br)C[NH3+] C37712032 RHF 6-31G(d) (6D,10F) C1 330.070480 |X|Y|Z| 63.038480 50.964514 23.312370 42.152178 12 6 8 11 1 |36.858105| |12.585105|36.858105| |8.062454|13.462092|73.516695| |5.246330|7.969257|25.505798|36.858105| |4.396837|6.672772|14.110966|13.788265|36.858105| |3.332404|4.483249|9.263802|7.902326|13.623253|36.858105| |2.977404|3.774662|8.226902|6.824716|7.912533|13.847589|36.858105| |3.210160|3.978532|9.453456|7.918872|6.892794|7.978739|13.685669|36.858105| |4.098913|5.225438|14.586481|13.455045|7.873629|6.831336|7.868564|13.796904|36.858105| |4.104611|4.718051|12.834337|8.038225|5.254911|4.624411|5.225130|8.025883|14.294967|73.516695| |3.667005|3.979887|9.890547|5.719907|4.182666|3.796088|4.258292|5.962141|8.002563|23.771760|36.858105| |3.207723|3.568838|8.519750|5.320494|4.152050|3.968694|4.639943|6.540342|7.560819|16.536253|17.562486|0.500000| |4.232843|4.336199|10.345780|5.216310|3.899342|3.376027|3.518516|4.415166|5.854063|13.608725|12.465856|0.244666|36.858105| |3.300541|3.249089|7.047274|3.678954|2.980894|2.701873|2.852226|3.455893|4.120977|9.136989|7.865878|0.187623|12.301306|36.858105| |2.818969|2.829307|6.155082|3.375797|2.770476|2.601345|2.852055|3.538702|4.025147|9.266787|8.072317|0.199818|7.700422|12.279691|36.858105| |3.097067|3.183595|7.262811|4.067134|3.202987|2.998514|3.369016|4.445828|5.244968|13.973333|12.516808|0.249049|7.932342|7.801021|12.456145|36.858105| |2.726557|2.850717|6.378697|3.732588|3.039239|2.949918|3.424390|4.549161|4.937160|12.181328|8.777604|0.219384|5.650142|5.602654|8.653519|17.555777|0.500000| |3.363289|3.308797|7.398419|3.903188|3.057629|2.790859|3.034628|3.870660|4.714884|12.506902|8.086209|0.161383|6.708691|6.339597|7.854265|13.599684|0.257669|73.516695| |2.558608|2.942465|6.568231|4.583127|4.098350|4.630003|6.742926|10.104978|6.708578|11.024237|5.469574|0.176012|3.864830|3.332406|3.747466|4.778908|0.154350|7.008830|2539.412838| |2.836995|3.661890|6.901388|5.040143|7.596750|12.706647|7.659243|5.061315|4.443157|6.027579|2.939065|0.085506|2.706561|2.258308|2.175590|2.432511|0.066931|4.068111|122.233570|36.858105| |2.617957|3.285816|6.121626|4.249909|5.799917|7.708879|5.817359|4.258132|3.821417|5.387343|2.771354|0.082419|2.621888|2.225852|2.116829|2.295619|0.062793|3.781424|109.515589|12.451078|53.358707| |2.361648|2.890667|5.254058|3.505915|4.562331|5.654585|4.574426|3.510941|3.187629|4.648551|2.416036|0.071345|2.306646|1.996013|1.905281|2.046990|0.056189|3.399543|95.263231|8.924832|25.633656|0.500000| |2.857344|3.635618|6.651481|4.526150|6.211617|7.105052|5.229551|4.103311|3.892625|5.514763|2.869929|0.084795|2.792157|2.346675|2.184924|2.345910|0.063181|3.872038|104.236913|9.029782|25.654805|0.323258|0.500000| |2.472606|3.045803|5.856802|4.092703|5.218494|7.113297|6.222367|4.528858|3.894689|5.511462|2.889040|0.088159|2.690964|2.305112|2.213392|2.389885|0.065931|3.864724|119.444239|9.043567|25.648933|0.323196|0.325939|0.500000| |17.595142|8.875937|12.953764|4.935945|4.033869|3.152052|2.895688|3.187000|4.082044|7.601932|3.727054|0.088485|4.167401|3.294448|2.889260|3.251686|0.079504|6.562791|88.354741|2.668256|3.296972|0.060927|0.071955|0.064081|0.500000| |17.588401|8.866122|12.904801|4.863666|4.014357|3.121803|2.848430|3.114999|3.978407|7.307826|3.899317|0.094168|4.863187|3.775943|3.078162|3.278668|0.078479|6.271793|86.088258|2.659465|3.433026|0.063169|0.076990|0.067121|0.300878|0.500000| |17.566264|8.898791|10.238722|4.245508|3.837790|2.996883|2.652383|2.780206|3.391179|5.941679|3.038297|0.075732|3.447672|2.821782|2.442766|2.635118|0.065575|5.049153|76.844267|2.651168|3.359431|0.062839|0.074915|0.064154|0.300388|0.300622|0.500000| |8.837143|17.556110|16.531580|7.181985|6.794765|4.629338|3.801290|3.872597|4.848209|7.598853|3.505469|0.088603|3.617944|2.816046|2.540564|2.891722|0.073726|5.381153|97.606764|3.867929|4.519334|0.081936|0.099869|0.083964|0.212085|0.173309|0.212637|0.500000| |8.844203|17.538966|16.503654|6.984954|6.712545|4.539157|3.700374|3.751223|4.687455|7.320504|3.655567|0.094503|4.055865|3.105336|2.670500|2.915504|0.073013|5.225083|94.694406|3.842103|4.892106|0.087658|0.114889|0.091235|0.173461|0.212478|0.212475|0.300144|0.500000| |4.683586|7.441148|12.651619|8.941665|17.742316|8.879329|5.643003|4.964669|5.611786|7.534083|3.533514|0.096308|3.466551|2.714300|2.486355|2.802593|0.073433|4.855063|113.305784|7.043695|7.687593|0.128583|0.177382|0.132999|0.114927|0.115576|0.117958|0.223753|0.228689|0.500000| |2.550948|3.121003|6.525931|4.928635|5.617055|8.886370|17.729823|8.931911|5.633229|7.521530|3.631440|0.111479|3.027028|2.554932|2.602763|3.019241|0.087275|4.822958|223.468879|7.027680|7.639586|0.127945|0.132298|0.175964|0.069326|0.068186|0.064233|0.087930|0.085712|0.123739|0.500000| |4.372891|4.665577|10.936226|5.580063|4.269659|3.633088|3.675998|4.434969|5.785152|11.462883|8.711261|0.217108|17.564228|8.625047|5.732955|5.675829|0.125257|8.688196|125.330610|2.916265|3.939920|0.070116|0.087548|0.082520|0.113081|0.142101|0.099701|0.105237|0.127777|0.106267|0.087069|0.500000| |5.177494|4.961405|11.805831|5.304482|3.888538|3.258985|3.303925|4.064152|5.543322|13.050925|8.936682|0.175179|17.633156|8.719903|6.160802|6.808668|0.138615|12.622807|118.741510|2.628641|3.404205|0.061533|0.074072|0.069985|0.145981|0.169980|0.112377|0.112522|0.122788|0.098189|0.078727|0.302085|0.500000| |3.000872|2.994060|6.315152|3.372407|2.829193|2.600612|2.732168|3.220412|3.700649|7.647829|6.171011|0.168090|8.679507|17.578820|8.717475|5.790869|0.128632|8.368952|105.900135|2.208788|3.030711|0.055647|0.065563|0.064552|0.081273|0.095428|0.072729|0.072313|0.081897|0.072161|0.068739|0.222038|0.176966|0.500000| |3.343270|3.140627|6.554764|3.304141|2.712197|2.436418|2.525728|2.990416|3.558445|7.768271|5.875252|0.138481|8.753946|17.604685|8.706233|6.217417|0.129820|10.634436|97.616189|2.068577|2.766121|0.051104|0.059605|0.057822|0.093775|0.108190|0.080017|0.075687|0.082827|0.070029|0.063201|0.186289|0.226863|0.304042|0.500000| |2.528523|2.590738|5.574123|3.163570|2.668311|2.570088|2.862345|3.513827|3.800285|8.236998|6.881566|0.202509|6.181858|8.709477|17.539125|8.841590|0.218496|10.153610|132.180789|2.168550|2.910470|0.053528|0.060978|0.062954|0.070994|0.075978|0.061692|0.065219|0.069126|0.066302|0.073763|0.142936|0.135392|0.225636|0.176656|0.500000| |2.588909|2.540121|5.357351|2.901284|2.428701|2.287798|2.483960|3.005087|3.362174|7.539410|5.738415|0.142974|5.708258|8.619025|17.573388|8.757057|0.196418|12.939278|109.527495|1.948193|2.576061|0.047813|0.054085|0.054656|0.074601|0.078220|0.063184|0.064095|0.066441|0.061460|0.063776|0.124708|0.141476|0.187324|0.222275|0.303216|0.500000| |2.947408|2.867034|6.159555|3.284129|2.667797|2.477042|2.693976|3.343800|3.877836|9.446994|5.959012|0.131768|5.195734|5.406219|7.097337|9.835550|0.230747|35.753250|120.562124|2.073255|2.634479|0.048784|0.054773|0.055005|0.089931|0.085473|0.070751|0.073995|0.071543|0.067014|0.068237|0.111548|0.150242|0.116621|0.148271|0.148756|0.211383|0.500000| |2.494690|3.106082|5.891540|4.190182|5.626688|8.811337|7.159062|4.720757|3.953322|5.528546|2.711975|0.079343|2.457535|2.092447|2.054723|2.300843|0.064385|3.844398|122.399134|17.648662|12.365336|0.219440|0.179605|0.219800|0.066354|0.065212|0.065072|0.091450|0.088542|0.143298|0.214303|0.072265|0.066139|0.056838|0.053324|0.057284|0.051472|0.054974|0.500000| 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