Version2.4 2021-05-01T02:10:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 01-Nov-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN(CCC)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] C63213451 RHF 6-31G(d) (6D,7F) CCCN(CCC)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] C01[X(C13H30N3O2S1)] 141 C1 349 CCCN(S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])CCC CCCN(S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])CCC CCCN(CCC)[S](=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] InChIKey=VKLYQEXJTFTNJQ-QWHCGFSZSA-O InChI=1S/C13H29N3O2S/c1-3-10-16(11-4-2)19(17,18)15-13-9-7-5-6-8-12(13)14/h12-13,15H,3-11,14H2,1-2H3/p+1/t12-,13+/m0/s1 InChI=1/C13H29N3O2S/c1-3-10-16(11-4-2)19(17,18)15-13-9-7-5-6-8-12(13)14/h12-13,15H,3-11,14H2,1-2H3/p+1/t12-,13+/m0/s1/fC13H30N3O2S/h14H/q+1 CCCN(CCC)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] C01[X(C13H30N3O2S1)] 141 C01 349 CCCN(S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+])CCC CCCN([S@@]([O])(=O)N[C@@H]1CCCCC[C@@H]1[NH3])CCC CCCN(CCC)[S]([O])(=O)N[C@@H]1CCCCC[C@@H]1[NH3] InChIKey=MWZCMOMNGAZHMX-QWHCGFSZSA-N InChI=1S/C13H30N3O2S/c1-3-10-16(11-4-2)19(17,18)15-13-9-7-5-6-8-12(13)14/h12-13,15H,3-11H2,1-2,14H3/t12-,13+/m0/s1 InChI=1/C13H30N3O2S/c1-3-10-16(11-4-2)19(17,18)15-13-9-7-5-6-8-12(13)14/h12-13,15H,3-11H2,1-2,14H3/t12-,13+/m0/s1 1884.3687150690 -1220.0639079 1-A 6914.6502 80 269 349 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.35491 -20.68889 -20.67556 -15.83958 -15.73242 -15.71468 -11.45124 -11.43297 -11.37921 -11.37770 -11.37227 -11.36512 -11.35152 -11.34715 -11.33828 -11.32861 -11.31533 -11.30526 -11.29996 -9.32235 -7.00925 -7.00855 -7.00800 -1.61929 -1.48936 -1.47219 -1.38079 -1.36597 -1.24917 -1.17955 -1.17229 -1.16932 -1.14954 -1.05836 -1.04875 -1.04747 -1.03097 -0.95742 -0.94789 -0.93368 -0.92709 -0.91779 -0.90807 -0.89390 -0.84648 -0.84212 -0.83467 -0.79865 -0.78709 -0.77394 -0.75344 -0.74617 -0.74273 -0.72627 -0.72129 -0.71893 -0.70901 -0.69019 -0.68261 -0.67552 -0.67029 -0.65597 -0.64903 -0.64745 -0.64023 -0.63410 -0.61937 -0.61641 -0.61075 -0.60279 -0.59826 -0.59314 -0.59295 -0.58749 -0.58651 -0.58301 -0.57945 -0.57117 -0.56596 -0.49384 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.03617 0.07311 0.08009 0.09011 0.10454 0.11563 0.12629 0.13367 0.13854 0.14813 0.15033 0.16107 0.16401 0.17021 0.17739 0.18299 0.18810 0.19237 0.19886 0.20803 0.21189 0.21593 0.22146 0.22411 0.23061 0.23261 0.23501 0.23644 0.24093 0.24122 0.24889 0.25622 0.26807 0.27194 0.27919 0.28208 0.28789 0.29168 0.30184 0.30870 0.31459 0.32362 0.33110 0.33904 0.34312 0.34655 0.35651 0.37609 0.39026 0.41915 0.46584 0.48820 0.55957 0.56502 0.57341 0.58950 0.59757 0.60790 0.63021 0.63434 0.64068 0.64509 0.65061 0.66208 0.66533 0.67514 0.68054 0.69451 0.70714 0.72608 0.73484 0.74006 0.75535 0.76592 0.77753 0.78586 0.79370 0.80469 0.82577 0.83146 0.83822 0.84198 0.85457 0.86430 0.87564 0.88678 0.89008 0.90486 0.91311 0.92657 0.93232 0.94368 0.95405 0.96532 0.97057 0.97544 0.98616 0.98756 0.99379 1.00122 1.01225 1.02106 1.02854 1.03252 1.04375 1.05111 1.05609 1.06437 1.06748 1.07075 1.07408 1.08314 1.08591 1.09354 1.09951 1.10181 1.10602 1.11191 1.12683 1.12766 1.14106 1.14146 1.14508 1.15106 1.15929 1.16863 1.17242 1.18397 1.19141 1.20964 1.22052 1.23099 1.23749 1.24135 1.25112 1.28070 1.31119 1.31877 1.35912 1.36566 1.38035 1.38987 1.42697 1.43679 1.44285 1.48033 1.48350 1.50771 1.55057 1.56460 1.57432 1.58839 1.60338 1.60878 1.62588 1.67557 1.68326 1.69549 1.72886 1.73482 1.76177 1.77703 1.79410 1.79996 1.81639 1.85478 1.87314 1.90616 1.91020 1.92997 1.94386 1.94982 1.95737 1.96800 1.98605 2.00745 2.01607 2.04379 2.05568 2.05779 2.07704 2.08630 2.09809 2.09976 2.11366 2.11625 2.13900 2.14597 2.14802 2.15118 2.16495 2.17083 2.17971 2.18912 2.19669 2.20169 2.22197 2.23284 2.25745 2.26785 2.27752 2.30108 2.31630 2.32047 2.33263 2.36008 2.37360 2.40621 2.44028 2.44848 2.46496 2.47928 2.49568 2.50500 2.50858 2.52776 2.53437 2.54518 2.56066 2.58447 2.58771 2.59206 2.60540 2.61465 2.62868 2.63283 2.63626 2.66149 2.66440 2.70474 2.72234 2.75089 2.76308 2.79951 2.81747 2.82424 2.85355 2.87026 2.88293 2.89461 2.94998 2.96620 2.96883 2.97935 3.00729 3.02731 3.04309 3.08291 3.12049 3.14425 4.06333 4.10129 4.30271 4.33002 4.38632 4.41876 4.45366 4.50070 4.54668 4.57007 4.58084 4.66265 4.69712 4.76591 4.84327 4.86053 4.87010 4.87147 4.98873 14.42219 7.8569 -2.1073 1.1412 8.2142 |XX|YY|ZZ|XY|XZ|YZ| -78.5686 -103.2170 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292.20587 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 21.3036 37.4541 42.7987 50.3406 65.5768 78.6633 98.7301 102.6352 105.8684 144.5334 191.4511 229.0936 248.6284 248.8499 254.6006 262.6727 264.5901 289.3076 307.6396 317.3657 322.0854 341.1281 349.5201 376.2186 380.8478 402.9036 445.7321 465.4131 479.0453 547.0875 553.8037 587.0949 604.2505 633.1662 669.7466 689.6883 797.6873 802.4306 805.3218 826.7954 856.8418 904.9559 928.2387 945.5349 949.4433 952.6606 958.5127 968.7333 977.1241 1015.9380 1055.1974 1070.6893 1085.7771 1095.1140 1110.4021 1119.4847 1122.1272 1142.4802 1166.5282 1174.1800 1195.2111 1198.3606 1218.5532 1224.5193 1227.9649 1238.1520 1304.5508 1315.7414 1320.8364 1333.9570 1346.1980 1354.8286 1408.7439 1420.8258 1425.0596 1433.9563 1451.4772 1454.5220 1464.1390 1466.9432 1472.8644 1492.6444 1508.4615 1512.9079 1515.9530 1533.5285 1542.6788 1549.3534 1553.0498 1553.8707 1565.5736 1568.2184 1570.2554 1571.2022 1612.0765 1632.4613 1634.2556 1636.1400 1637.4875 1638.7569 1640.1161 1643.0476 1644.0834 1647.0610 1650.6333 1655.4539 1655.5344 1660.6325 1708.3011 1811.4682 1843.6347 3194.5095 3194.9587 3197.7253 3201.5154 3204.4903 3206.2514 3210.3659 3212.0819 3223.6612 3225.6361 3243.1289 3251.6708 3256.0536 3257.8534 3258.0590 3264.1098 3266.6141 3271.0500 3274.6111 3276.6269 3278.4514 3286.0802 3287.3003 3291.1774 3322.0301 3335.3325 3507.8179 3692.1095 3760.2632 3810.1092 3.6031 3.4360 2.8026 3.6419 3.3881 2.3596 2.3649 2.6560 2.4199 2.7265 3.9580 2.9404 1.2422 1.1500 3.9570 2.6431 2.1251 2.4667 1.5497 3.4842 2.1384 3.2579 2.2558 3.0360 3.0875 2.5792 3.1183 4.8610 3.0705 2.0241 2.3260 2.0036 4.1665 3.7138 4.6426 3.2170 2.0896 1.1361 1.1121 4.2002 2.3852 1.6682 1.8908 1.5054 1.2751 2.4146 2.1077 1.7644 1.8573 2.1496 2.2616 2.2067 1.9097 2.7284 2.8290 1.9662 2.2757 1.5434 1.7265 2.0374 1.9376 2.2207 2.4860 2.0829 3.0649 2.2937 2.0770 1.9699 1.8879 1.9193 1.3307 1.1782 1.2778 1.2337 1.1886 1.2567 1.9182 1.2976 1.1743 1.3053 1.7180 1.2408 1.2306 1.2782 1.3347 1.4462 1.4932 1.4883 1.3933 1.3995 1.3562 1.3524 1.2947 1.2727 1.3141 1.0821 1.0756 1.0568 1.0947 1.0941 1.0884 1.0402 1.0405 1.0952 1.0950 1.0933 1.0908 1.0865 1.1725 1.0418 1.0480 1.0668 1.0693 1.0709 1.0687 1.0383 1.0661 1.0376 1.0664 1.0693 1.0982 1.1000 1.0907 1.0802 1.0965 1.0968 1.0992 1.0904 1.0808 1.0999 1.0909 1.0902 1.1020 1.1004 1.0893 1.1016 1.1040 1.0607 1.0679 1.0944 1.0774 0.0010 0.0028 0.0030 0.0054 0.0086 0.0086 0.0136 0.0165 0.0160 0.0336 0.0855 0.0909 0.0452 0.0420 0.1511 0.1074 0.0877 0.1216 0.0864 0.2068 0.1307 0.2234 0.1624 0.2532 0.2639 0.2467 0.3650 0.6204 0.4152 0.3569 0.4203 0.4069 0.8963 0.8772 1.2270 0.9016 0.7834 0.4310 0.4249 1.6917 1.0318 0.8049 0.9599 0.7929 0.6772 1.2911 1.1409 0.9756 1.0448 1.3072 1.4837 1.4905 1.3265 1.9279 2.0552 1.4518 1.6883 1.1869 1.3842 1.6550 1.6308 1.8789 2.1749 1.8401 2.7230 2.0718 2.0827 2.0092 1.9405 2.0122 1.4209 1.2742 1.4941 1.4674 1.4221 1.5225 2.3810 1.6175 1.4832 1.6549 2.1958 1.6288 1.6498 1.7237 1.8072 2.0039 2.0937 2.1050 1.9799 1.9909 1.9585 1.9596 1.8808 1.8511 2.0120 1.6990 1.6925 1.6667 1.7295 1.7311 1.7249 1.6545 1.6571 1.7506 1.7578 1.7653 1.7614 1.7654 2.0160 2.0142 2.0987 6.4144 6.4310 6.4517 6.4538 6.2818 6.4572 6.3009 6.4825 6.5471 6.7325 6.8166 6.7944 6.7474 6.8570 6.8593 6.8998 6.8554 6.8135 6.9489 6.9004 6.9041 7.0113 7.0062 6.9519 7.1630 7.2359 7.6900 8.5766 9.1171 9.2150 0.1360 0.3010 0.0800 0.8013 6.6035 4.6516 1.3001 1.4597 3.4988 2.3132 17.6730 0.1097 0.4536 0.1371 6.4116 1.2829 4.3801 0.3442 0.0666 3.3625 4.1901 5.1577 0.9347 2.6140 1.8637 6.1973 33.8308 7.2469 5.1617 1.4495 7.2842 5.7332 77.1489 2.1851 212.7755 36.3110 0.5223 6.6986 21.9058 93.3949 26.6213 1.0645 24.7864 11.5387 9.0410 70.8676 55.3749 4.2977 17.2815 24.8990 11.5933 19.8031 3.5312 157.5926 2.0417 58.0445 62.5668 23.3272 33.0559 53.1949 2.9779 69.7738 58.2863 11.0010 134.1418 36.8839 0.7400 32.1166 11.7310 32.4273 2.4463 0.8007 3.6026 11.3051 3.3062 11.3102 64.3661 52.6744 0.8872 6.8769 130.7897 3.3922 33.2857 18.1789 1.4773 4.6844 3.0090 2.9932 18.6365 3.8464 4.7837 6.1462 2.7400 0.1387 127.5675 1.8619 7.6155 0.3672 2.3314 4.7124 1.9588 6.7701 7.0503 11.7618 1.9293 8.6378 9.1759 5.7807 177.2235 40.1693 130.0620 38.9447 32.5661 14.9995 12.7999 28.2487 19.6098 21.2050 31.9712 7.7844 26.1166 22.4005 9.0856 20.8196 40.6420 11.5711 37.9004 17.6050 7.7367 28.1811 1.0985 77.2398 32.7234 32.7872 24.5583 37.2997 8.0219 362.5464 114.7866 98.1763 48.3344 0.3978 0.1598 0.1742 0.2631 0.1543 0.0508 0.0712 0.1491 0.0203 0.1121 0.8523 0.6109 0.0413 0.0261 0.7115 0.1946 0.1599 0.3498 0.4784 2.9063 0.2594 1.0229 2.5119 2.3088 2.3751 0.7538 2.0908 1.0498 0.8955 1.3488 0.1696 2.9753 1.7930 0.3480 3.2847 8.9290 11.2130 0.8026 0.3031 3.3815 1.0477 1.7071 1.2179 1.5131 1.4705 1.9273 0.8024 5.7124 9.5414 3.0965 4.7590 3.7179 4.8646 5.7447 7.0455 5.5742 12.8278 3.7733 2.8747 7.3274 2.6373 3.2118 12.0199 0.4710 1.8145 4.6234 3.7393 1.8408 0.2917 0.4844 2.1244 4.0096 2.3848 8.5417 6.8402 11.6768 4.0785 4.9800 6.0696 0.8891 10.1539 2.4943 10.0148 8.5501 3.9304 2.4012 1.5025 2.6563 0.6201 1.1800 0.1204 1.4984 2.6737 2.1714 1.9636 15.2941 23.6472 31.9786 21.0966 1.6931 0.5651 16.3026 19.6065 1.6830 2.6688 1.3033 0.8745 10.7920 1.2131 5.6808 6.9794 91.3564 35.7946 48.4822 74.4364 85.8235 48.7850 109.9439 70.1635 71.9252 69.4268 45.6677 111.5015 20.7935 110.0299 57.8288 90.5430 97.4158 50.0777 40.2555 25.0719 87.6083 81.1923 100.7043 61.4499 27.9279 28.2357 70.3561 36.0291 45.2176 28.5146 0.7497 0.7493 0.6921 0.7110 0.6609 0.7429 0.5688 0.3433 0.7498 0.5855 0.1324 0.3406 0.5792 0.4773 0.5601 0.5928 0.3049 0.6779 0.1754 0.0928 0.5886 0.3953 0.1275 0.4335 0.3898 0.2516 0.7435 0.5152 0.7093 0.1989 0.5967 0.2930 0.7269 0.2799 0.2280 0.1373 0.1119 0.3495 0.6499 0.0974 0.1377 0.2496 0.3586 0.7212 0.7222 0.2494 0.1199 0.4690 0.1390 0.6384 0.7387 0.5666 0.7383 0.2579 0.7469 0.6546 0.6754 0.6486 0.2313 0.4947 0.7016 0.6792 0.0462 0.6461 0.7500 0.1234 0.7426 0.6347 0.7181 0.7452 0.4262 0.7135 0.6731 0.7389 0.7497 0.7436 0.6161 0.7397 0.6616 0.4907 0.7471 0.6848 0.7459 0.7486 0.6142 0.7449 0.6724 0.7205 0.7498 0.7007 0.2494 0.7470 0.7389 0.7429 0.6775 0.7471 0.7498 0.7199 0.7466 0.6998 0.7139 0.7497 0.7489 0.6345 0.7111 0.7500 0.7177 0.7493 0.5952 0.6798 0.6610 0.0793 0.7219 0.6040 0.1046 0.0041 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0.0973 0.4469 0.8071 0.8353 0.6885 0.6121 0.5416 0.7938 0.4296 0.5499 0.0597 0.6658 0.7573 0.3547 0.8266 0.7034 0.1188 0.6354 0.8011 0.2646 0.3804 0.7307 0.3314 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 6 6 6 7 6 6 6 16 8 8 7 6 1 6 6 6 6 6 6 1 7 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 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 3968.6251 8949.7664 10075.7263 0.99992 -0.00652 -0.01040 0.00614 0.99934 -0.03589 0.01063 0.03583 0.99930 1 0.02182 0.00968 0.00860 0.45475 0.20165 0.17912 30.65 53.89 61.58 72.43 94.35 113.18 142.05 147.67 152.32 207.95 275.46 329.61 357.72 358.04 366.31 377.93 380.69 416.25 442.62 456.62 463.41 490.81 502.88 541.29 547.96 579.69 641.31 669.63 689.24 787.14 796.80 844.70 869.38 910.98 963.62 992.31 1147.69 1154.52 1158.68 1189.57 1232.80 1302.03 1335.53 1360.41 1366.04 1370.67 1379.09 1393.79 1405.86 1461.71 1518.19 1540.48 1562.19 1575.62 1597.62 1610.69 1614.49 1643.77 1678.37 1689.38 1719.64 1724.17 1753.23 1761.81 1766.77 1781.42 1876.96 1893.06 1900.39 1919.27 1936.88 1949.30 2026.87 2044.25 2050.34 2063.14 2088.35 2092.73 2106.57 2110.60 2119.12 2147.58 2170.34 2176.74 2181.12 2206.41 2219.57 2229.17 2234.49 2235.67 2252.51 2256.32 2259.25 2260.61 2319.42 2348.75 2351.33 2354.04 2355.98 2357.81 2359.76 2363.98 2365.47 2369.75 2374.89 2381.83 2381.94 2389.28 2457.86 2606.30 2652.58 4596.19 4596.83 4600.81 4606.27 4610.55 4613.08 4619.00 4621.47 4638.13 4640.97 4666.14 4678.43 4684.73 4687.32 4687.62 4696.33 4699.93 4706.31 4711.44 4714.34 4716.96 4727.94 4729.69 4735.27 4779.66 4798.80 5046.97 5312.12 5410.18 5481.90 0.480625 0.501297 0.502241 0.429903 -1219.583283 -1219.562611 -1219.561667 -1219.634005 2.426228D-04 MUNgauss RevisionA2.1 retrievium 01-May-2021 DUDE CCCN(CCC)S(=O)(=O)N[C@@H]1CCCCC[C@@H]1[NH3+] C63213451 RHF 6-31G(d) (6D,10F) C1 292.205874 |X|Y|Z| 66.372647 39.853692 30.346813 43.137694 7 6 7 |36.858105| |12.462230|36.858105| |7.536862|12.479173|36.858105| |4.939157|7.581602|12.886133|53.358707| |4.057174|5.568124|7.525281|17.527426|36.858105| |3.448388|4.239426|5.799303|10.300908|12.479227|36.858105| |2.884903|3.387729|4.129957|6.718547|7.545173|12.460968|36.858105| |3.886278|5.338926|7.140891|16.156027|7.086743|5.461336|3.931140|388.023441| |3.081986|3.974804|5.002622|10.566750|6.792566|5.747916|4.303439|93.938838|73.516695| |3.892709|4.928240|6.598060|10.441192|5.054822|4.459737|3.309846|95.367210|13.556845|73.516695| |3.674394|5.012177|5.367696|9.629097|5.129546|3.917406|3.140378|81.650531|13.957970|13.966527|53.358707| |3.238088|4.315133|4.333297|7.703813|4.867622|3.649644|3.103164|49.761645|11.526778|8.896996|17.705895|36.858105| |3.229776|4.353676|4.522226|8.650895|6.043119|4.277445|3.656181|50.184245|12.925311|8.417300|12.488531|17.614128|0.500000| |3.419525|4.489465|4.016240|6.359322|4.097906|3.115252|2.732971|35.354525|7.784196|7.103759|10.557859|12.414509|0.248125|36.858105| |2.790027|3.429885|3.103377|4.799303|3.343411|2.660093|2.446587|26.016129|6.195900|5.433035|6.727600|7.299598|0.178845|12.395309|36.858105| |2.396034|2.828636|2.607535|3.944715|2.717587|2.259146|2.087835|22.269512|5.376054|4.876198|5.708591|5.560343|0.130921|7.417659|12.429465|36.858105| |2.184956|2.572516|2.473197|3.821409|2.633580|2.235235|2.061027|22.657813|5.690712|4.987139|5.795730|5.563439|0.129198|5.894598|7.339085|12.452295|36.858105| |2.352608|2.820421|2.791288|4.418114|2.941019|2.487614|2.231321|28.154042|7.082605|6.168765|7.733851|7.218848|0.152379|6.320343|6.085043|7.320960|12.400870|36.858105| |2.578011|3.209497|3.286310|5.570653|3.741974|3.064927|2.706287|36.952875|9.904391|7.349542|10.488621|12.254849|0.248679|7.345089|6.292202|5.878937|7.449212|12.431900|36.858105| |2.381560|2.928927|2.998523|5.080089|3.634834|3.011557|2.749165|31.472969|8.926790|6.264346|7.790343|8.828069|0.233336|6.240911|6.230849|5.698138|7.227066|8.879137|17.612415|0.500000| |2.442615|2.992664|3.238742|5.561171|3.701320|3.190211|2.768363|40.538162|12.221513|8.314584|9.764504|7.682983|0.185492|4.951965|4.218874|4.058706|5.013896|7.713461|12.598628|0.255786|53.358707| |2.163424|2.586153|2.779847|4.635668|3.195466|2.850203|2.545675|31.680951|9.617010|6.838052|7.081920|5.661060|0.144511|4.096159|3.742507|3.752672|4.830904|6.962584|9.061015|0.228611|25.715317|0.500000| |2.551805|3.166473|3.567137|6.446222|4.356165|3.768309|3.201245|49.082306|18.109507|9.346657|10.011834|7.386929|0.202460|4.651609|3.892580|3.565869|4.128054|5.645937|8.995427|0.214199|25.404628|0.319399|0.500000| |2.508244|3.047039|3.305622|5.507817|3.496244|3.048760|2.601542|42.080342|11.419848|9.384901|10.426546|6.828712|0.156396|4.702861|3.876782|3.818128|4.616853|7.254859|9.125342|0.181519|25.677590|0.323466|0.328179|0.500000| |17.551749|8.768648|6.839329|6.189051|3.643019|3.212542|2.666526|27.129755|5.331711|7.249573|4.862566|3.048980|0.082927|3.152354|2.575033|2.268853|2.102555|2.292328|2.481043|0.063053|3.263955|0.059143|0.069322|0.069546|0.500000| |17.551545|8.773702|6.817336|6.251016|4.036531|3.570929|3.037319|25.056670|5.153183|6.211667|4.382811|2.900844|0.082338|3.005597|2.525257|2.173575|1.997839|2.135172|2.354344|0.061389|3.067599|0.056009|0.066021|0.063655|0.301555|0.500000| |17.577521|8.797138|5.487927|5.556811|3.490476|2.967940|2.569436|23.973514|4.882599|5.934900|4.578823|3.067007|0.084030|3.383193|2.821108|2.433170|2.177080|2.299248|2.468464|0.063635|3.125474|0.056903|0.065634|0.065309|0.301941|0.302127|0.500000| |8.860224|17.514478|8.858043|9.288075|4.867184|3.721498|3.017306|40.065584|7.220079|9.360746|8.143722|4.959689|0.130526|5.390697|3.877955|3.204909|2.883223|3.201362|3.584947|0.088342|4.452270|0.077497|0.093937|0.094020|0.210586|0.172975|0.213349|0.500000| |8.837577|17.528508|8.861604|9.548345|5.968643|4.325431|3.595334|34.284736|6.813863|7.418119|6.359999|4.394153|0.128423|4.739749|3.710386|2.950407|2.629861|2.812369|3.235048|0.084003|3.995534|0.070919|0.086346|0.080950|0.172710|0.210691|0.212308|0.303246|0.500000| |6.954852|8.854042|17.611951|12.571384|7.502021|6.567789|4.650520|39.222868|7.757654|9.190775|5.734445|3.617947|0.107627|3.383885|2.744307|2.324269|2.210365|2.449988|2.862431|0.074410|3.872337|0.069323|0.087444|0.079620|0.171923|0.206303|0.141427|0.173754|0.210345|0.500000| |6.818534|8.813614|17.652166|12.378495|5.702142|4.944041|3.596051|50.024042|8.544387|14.311855|7.074071|3.977545|0.110712|3.642370|2.837884|2.463553|2.375987|2.722812|3.137610|0.078350|4.342152|0.076327|0.096815|0.093155|0.202307|0.167099|0.139941|0.212469|0.173486|0.304938|0.500000| |3.459950|4.634977|5.603326|12.353094|17.651351|8.864444|6.891992|48.532284|13.589745|8.264518|7.340474|5.619879|0.215360|4.477415|3.719562|2.974549|2.917061|3.258122|4.339514|0.120943|5.752862|0.100933|0.141430|0.106238|0.087211|0.093986|0.085788|0.120207|0.140417|0.147945|0.127051|0.500000| |4.461813|6.123550|7.295503|12.596858|17.589031|8.811171|6.903282|38.653153|8.894657|7.472411|6.058549|4.397057|0.148336|4.024729|3.352306|2.681390|2.525778|2.737413|3.374323|0.092011|4.369576|0.078145|0.100820|0.084633|0.106128|0.126696|0.107430|0.140411|0.203401|0.216464|0.146421|0.304313|0.500000| |3.763335|4.442695|6.349641|9.471784|8.856511|17.547242|8.853376|35.100230|8.477918|7.796322|4.879203|3.247295|0.101582|2.863029|2.440269|2.096189|2.058780|2.282363|2.732989|0.073594|3.861596|0.070733|0.090799|0.077091|0.098266|0.111679|0.087798|0.104829|0.121944|0.226244|0.153052|0.173924|0.210252|0.500000| |3.101035|3.766756|5.127367|9.359361|8.902549|17.573587|8.834517|41.921407|12.214182|8.667367|5.485836|3.669582|0.117591|3.023273|2.580940|2.234279|2.260913|2.564747|3.185075|0.086422|4.727217|0.086436|0.117296|0.092406|0.082578|0.087283|0.074778|0.095644|0.103463|0.150415|0.130737|0.213725|0.173803|0.303478|0.500000| |3.003639|3.473681|4.059027|6.232129|6.820577|8.755357|17.542569|25.146037|6.559433|5.359001|3.999379|2.942165|0.095657|2.686371|2.429447|2.056466|1.994612|2.123804|2.536867|0.071687|3.438790|0.064585|0.079350|0.066233|0.075598|0.089690|0.074847|0.084337|0.105546|0.130247|0.096120|0.168835|0.204523|0.210470|0.172599|0.500000| |2.602973|2.953698|3.579252|5.554757|5.494123|8.808452|17.581117|24.368626|6.675683|5.363695|3.754194|2.691453|0.085678|2.385947|2.157353|1.878830|1.869937|2.023390|2.409552|0.067819|3.411663|0.064949|0.079872|0.066078|0.068033|0.076624|0.064638|0.073724|0.085175|0.112478|0.089980|0.140951|0.140833|0.213098|0.212451|0.302174|0.500000| |2.629205|3.115547|3.672334|6.192277|6.830953|8.761627|17.539989|27.320299|7.903083|5.616489|4.311439|3.243760|0.108614|2.815116|2.566418|2.185346|2.176327|2.345384|2.885929|0.083396|4.009615|0.075921|0.095322|0.075225|0.067630|0.075385|0.066185|0.079219|0.092699|0.109178|0.089683|0.204392|0.170082|0.172814|0.210325|0.301306|0.302235|0.500000| |4.058128|5.502075|5.467855|8.529988|4.472388|3.501160|2.837315|60.671744|10.244809|13.320431|25.911209|9.034162|0.185415|7.596196|4.766607|4.145835|4.048052|5.204663|6.060429|0.129856|7.513990|0.119482|0.150261|0.171342|0.111470|0.095358|0.104154|0.200464|0.135909|0.116470|0.152339|0.124374|0.113072|0.092261|0.098182|0.075129|0.070023|0.078170|0.500000| |3.451809|4.383175|3.841423|5.746017|3.565638|2.811166|2.451463|32.999875|7.007537|7.130539|10.092139|8.851030|0.175783|17.526342|8.872456|7.241450|5.783148|6.392524|6.348685|0.143228|6.275110|0.107107|0.117051|0.129485|0.090541|0.082515|0.096196|0.154012|0.122099|0.089090|0.100485|0.104119|0.097044|0.073419|0.076533|0.066896|0.060442|0.069171|0.236541|0.500000| |4.051561|5.611926|4.678971|7.223115|4.645717|3.391687|2.956312|35.897603|7.605836|7.154842|9.469456|9.028328|0.228056|17.576198|8.815897|5.528677|4.454702|4.672174|5.485958|0.137471|5.656889|0.097049|0.114323|0.110692|0.099835|0.097887|0.111759|0.187382|0.175063|0.108474|0.112562|0.136629|0.132848|0.087265|0.088627|0.082255|0.070741|0.083297|0.195802|0.304772|0.500000| |2.852304|3.435527|2.998460|4.468183|3.148588|2.521770|2.347672|23.137935|5.425552|4.937687|5.660533|5.506807|0.143125|8.933286|17.576805|8.934406|5.457100|4.583674|4.661885|0.129101|4.668832|0.085874|0.090138|0.089431|0.072117|0.071844|0.082016|0.106763|0.105685|0.074572|0.075572|0.094951|0.090582|0.065098|0.066904|0.065931|0.057609|0.067751|0.115398|0.203075|0.229551|0.500000| |2.605508|3.200022|2.991028|4.756880|3.476750|2.771707|2.602050|25.520388|6.386429|5.217658|6.239411|6.960451|0.193622|8.755290|17.499109|8.769193|6.710726|5.607907|6.402615|0.201034|5.870192|0.108217|0.112855|0.105474|0.066606|0.066824|0.072249|0.096900|0.097504|0.074803|0.075309|0.111468|0.096422|0.069368|0.074699|0.071580|0.063324|0.077440|0.116873|0.174128|0.198972|0.305635|0.500000| |2.475237|2.881338|2.607135|3.837113|2.579779|2.157016|1.974420|21.686673|5.073953|4.888001|5.601429|5.029492|0.115867|6.935824|8.894707|17.521536|8.862482|6.515029|5.052578|0.128260|5.058815|0.094745|0.091041|0.101423|0.065660|0.061604|0.070623|0.092571|0.082084|0.064110|0.069261|0.076588|0.070987|0.056376|0.059211|0.054171|0.049629|0.056641|0.118936|0.222806|0.148459|0.213733|0.173313|0.500000| |2.178222|2.517472|2.320322|3.467044|2.444003|2.065266|1.944424|19.129903|4.682821|4.235089|4.644870|4.341014|0.108696|5.473055|8.882461|17.560582|8.948216|5.442448|4.595649|0.130992|4.629694|0.089975|0.084774|0.088602|0.057170|0.055548|0.061915|0.077583|0.073615|0.058437|0.060821|0.074092|0.067752|0.053391|0.056503|0.053579|0.048872|0.056701|0.093627|0.146329|0.125294|0.222451|0.209512|0.304810|0.500000| |2.004439|2.307943|2.217071|3.352753|2.305884|1.996791|1.849760|19.799125|4.944873|4.500435|4.896701|4.333975|0.102969|4.598945|5.443724|8.915665|17.569816|8.929473|5.506860|0.146937|5.749615|0.116920|0.097679|0.112541|0.054087|0.051019|0.055784|0.071620|0.064924|0.055435|0.059902|0.069791|0.061658|0.051630|0.056260|0.049817|0.047116|0.053928|0.097588|0.132405|0.101989|0.124189|0.137959|0.219961|0.215631|0.500000| |2.046451|2.403530|2.343592|3.664406|2.602979|2.229780|2.091290|21.444609|5.590019|4.661702|5.221522|5.070628|0.126491|5.067453|6.511992|8.841903|17.511718|8.886292|6.993870|0.224084|6.654352|0.137027|0.114219|0.119030|0.054449|0.052653|0.056386|0.073211|0.069018|0.058980|0.062102|0.081462|0.069246|0.056503|0.062767|0.056092|0.052725|0.062204|0.098521|0.129720|0.111788|0.138565|0.192147|0.174128|0.220068|0.304952|0.500000| 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