Version2.1 2021-01-18T15:06:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(sc1)[C@H](c2ccc(cc2)F)[NH2+]CC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4 C09252760 RHF 6-31G(d) (6D,7F) c1cc(sc1)[C@H](c2ccc(cc2)F)[NH2+]CC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4 C01[X(C23H25F1N3O3S2)] 165 C1 538 Fc1ccc(cc1)[C@@H](c1cccs1)[NH2+]CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 Fc1ccc(cc1)[C@@H](c1cccs1)[NH2+]CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 Fc1ccc(cc1)[C@H]([NH2+]CC(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCC3)c4sccc4 InChIKey=BIRYCZQLCLGBTL-QHCPKHFHSA-O InChI=1S/C23H24FN3O3S2/c24-18-7-5-17(6-8-18)23(21-4-3-15-31-21)25-16-22(28)26-19-9-11-20(12-10-19)32(29,30)27-13-1-2-14-27/h3-12,15,23,25H,1-2,13-14,16H2,(H,26,28)/p+1/t23-/m0/s1 InChI=1/C23H24FN3O3S2/c24-18-7-5-17(6-8-18)23(21-4-3-15-31-21)25-16-22(28)26-19-9-11-20(12-10-19)32(29,30)27-13-1-2-14-27/h3-12,15,23,25H,1-2,13-14,16H2,(H,26,28)/p+1/t23-/m0/s1/fC23H25FN3O3S2/h25-26H/q+1 c1cc(sc1)[C@H](c2ccc(cc2)F)[NH2+]CC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4 C01[X(C23H25F1N3O3S2)] 165 C01 538 Fc1ccc(cc1)[C@@H](c1cccs1)[NH2+]CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1 O=[C]([NH][C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCC1)C[NH2][C@@H]([C]1[CH][CH][C]([CH][CH]1)F)C1=[CH][CH]=[CH]S1 F[C]1[CH][CH][C]([CH][CH]1)[C@H]([NH2]CC(=O)N[C]2[CH][CH][C]([CH][CH]2)[S](=O)(=O)N3CCCC3)c4sccc4 InChIKey=RJYOMAGHJDYJDI-QHCPKHFHSA-N InChI=1S/C23H25FN3O3S2/c24-18-7-5-17(6-8-18)23(21-4-3-15-31-21)25-16-22(28)26-19-9-11-20(12-10-19)32(29,30)27-13-1-2-14-27/h3-12,15,23H,1-2,13-14,16,25H2,(H,26,28)/t23-/m0/s1 InChI=1/C23H25FN3O3S2/c24-18-7-5-17(6-8-18)23(21-4-3-15-31-21)25-16-22(28)26-19-9-11-20(12-10-19)32(29,30)27-13-1-2-14-27/h3-12,15,23H,1-2,13-14,16,25H2,(H,26,28)/t23-/m0/s1/f/h26H 3354.9409208024 -2167.6345605 1-A 30326.2834 124 414 538 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474.13214 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 4.6424 9.6201 17.9757 24.2632 28.1389 38.4039 39.8870 48.6837 50.9883 54.5255 65.5008 90.4482 102.6224 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1527.8685 1531.1243 1545.8806 1562.5158 1586.8574 1598.2485 1624.9981 1632.2310 1636.2686 1646.8144 1674.5375 1677.9235 1686.6139 1702.1368 1734.1540 1758.5894 1787.7720 1803.8094 1807.2821 1816.6590 1825.1134 1951.3687 3193.9818 3222.1663 3236.9036 3245.0570 3276.3701 3280.4419 3288.8448 3295.1064 3301.8037 3332.2267 3339.3867 3356.0371 3359.4210 3371.0178 3386.5435 3413.2559 3413.5929 3415.0848 3416.6416 3421.3470 3452.3289 3463.2675 3624.9313 3708.8625 3850.6308 5.4789 6.9374 6.1692 5.1522 5.1958 3.2698 6.8283 5.9045 5.1441 4.1515 5.9302 5.0542 3.6052 2.7818 4.0326 7.5903 5.5617 3.3225 7.0168 5.6463 4.3064 6.9616 1.8777 5.6995 6.6437 4.8835 7.1883 6.2030 6.9942 5.6048 5.1392 5.4645 5.5829 3.0362 2.9987 5.4803 7.1605 2.8709 3.6024 3.7238 2.0279 3.7628 1.9430 3.5118 3.7783 2.1065 5.7010 4.4342 7.0886 8.2322 4.9396 5.9749 4.3865 3.6993 4.4237 5.3272 2.7498 1.1911 4.3692 2.7210 4.4078 1.9363 2.0468 1.2529 1.8313 2.7391 1.9369 1.8519 1.4256 2.4451 1.7267 1.5488 2.7479 1.5019 3.0232 1.4994 1.3724 1.3736 1.3523 2.3427 2.6559 3.0768 1.3519 1.9337 2.8191 2.4414 3.1962 1.7314 2.2730 1.1815 2.8490 2.6711 3.3111 2.8050 2.2745 2.5820 1.1753 2.4615 1.7201 1.2679 1.7463 2.5776 1.7049 1.6314 1.2330 1.8017 1.2505 1.7727 4.0255 1.3978 1.3224 1.3493 1.4261 1.4665 9.0654 1.3669 1.4206 1.3223 1.5935 1.4056 1.4923 2.1726 2.4179 1.5437 4.3341 1.1293 1.0946 1.1055 1.0908 2.1719 1.1028 2.6719 2.8037 5.2063 6.3814 3.3599 4.9668 5.5029 1.0761 8.6597 1.0738 1.0696 1.0637 1.0633 1.0608 1.0987 1.1053 1.0882 1.1060 1.0950 1.1099 1.0920 1.0915 1.0920 1.0943 1.0958 1.0958 1.0927 1.0944 1.0935 1.1009 1.0938 1.0622 1.0884 1.0786 0.0001 0.0004 0.0012 0.0018 0.0024 0.0028 0.0064 0.0082 0.0079 0.0073 0.0150 0.0244 0.0224 0.0212 0.0485 0.1026 0.0874 0.0604 0.1568 0.1628 0.1491 0.2638 0.0808 0.2531 0.3458 0.2873 0.5886 0.5467 0.6411 0.5452 0.5497 0.6419 0.6707 0.3705 0.3786 0.7533 1.2319 0.5253 0.6635 0.7729 0.4274 0.8099 0.4386 0.8311 0.9393 0.5399 1.5173 1.1897 1.9904 2.3479 1.4720 2.0196 1.6314 1.3890 1.7030 2.0579 1.1221 0.4867 1.9717 1.2987 2.1584 0.9913 1.0513 0.6457 0.9455 1.4434 1.0386 1.0082 0.7823 1.3873 1.0046 0.9325 1.6907 0.9988 2.0182 1.0060 0.9399 0.9760 0.9618 1.6833 1.9318 2.2494 1.0061 1.4420 2.1495 1.8689 2.6661 1.4749 1.9400 1.0321 2.5112 2.4996 3.1212 2.6798 2.2040 2.5200 1.1565 2.4249 1.7253 1.2965 1.7892 2.6528 1.8041 1.7418 1.3860 2.0334 1.4339 2.0547 4.7503 1.7017 1.6532 1.7030 1.8065 1.8730 11.6870 1.8007 1.9191 1.7973 2.1917 1.9415 2.1012 3.1252 3.5872 2.3233 6.7430 1.7727 1.7266 1.7664 1.8021 3.6028 1.8483 4.5609 4.9678 9.4865 12.0169 6.4411 9.5583 10.7001 2.1119 19.4281 6.4539 6.5432 6.5663 6.5969 6.7090 6.9660 7.0440 6.9615 7.1041 7.1638 7.2921 7.2463 7.2577 7.3111 7.3943 7.5220 7.5232 7.5086 7.5270 7.5414 7.7309 7.7298 8.2238 8.8209 9.4227 1.4817 1.1225 1.9948 2.1508 1.4010 0.7665 1.0769 5.7148 1.0840 2.5684 1.2771 0.2380 1.0438 1.5667 6.6096 3.5984 2.7940 1.9890 4.5701 3.5139 0.6113 8.2063 1.3951 3.7883 3.7559 16.5481 16.8368 4.8995 15.9730 5.7970 4.7776 14.9982 5.7702 0.4024 0.2022 30.4519 0.1557 12.0151 6.8529 19.7027 69.1530 10.6264 11.4915 30.2368 65.2133 36.2930 232.5852 3.6204 7.2890 14.3716 5.7277 86.8958 0.4037 11.6800 11.3603 1.7939 119.1649 57.3309 33.4531 70.4083 18.9566 34.4978 6.3966 0.7227 2.7148 46.9048 3.2747 21.0721 31.2071 1.8630 41.3281 3.6867 49.2011 2.2500 3.8055 1.5134 2.1464 6.9167 0.0874 53.1659 2.2017 3.3861 0.4003 4.7763 15.3711 10.5203 81.7393 4.5906 51.1783 0.9723 187.7685 131.2266 16.8995 153.2475 23.1945 33.9365 21.3373 18.2246 3.3879 8.1544 21.3232 13.7259 24.1820 79.8937 14.5143 14.5008 10.8980 179.3285 125.6489 67.8971 18.0830 3.7098 141.5897 22.7619 212.7922 1.1510 0.9857 112.3817 47.8050 20.0398 23.9389 291.0864 3.1625 137.3558 41.2878 45.0383 3.5075 3.1954 1.1093 32.5639 5.2780 114.5019 454.1715 5.1517 3.7406 261.5584 37.1826 91.6597 61.9507 292.8437 45.2211 21.9543 30.9824 36.8670 11.9264 17.6885 21.6212 3.2747 59.5301 14.3461 2.6002 15.4050 14.0246 5.4862 4.2678 0.3052 0.0652 0.4709 0.6070 1.1531 2.6259 1.2632 80.4790 82.0093 46.2202 0.5424 1.4455 1.2022 1.2348 3.5377 4.3840 3.0635 4.5785 1.1177 1.2139 5.0454 0.5694 0.5071 0.1965 2.1826 3.7037 0.8517 1.5869 0.8678 0.4325 0.8532 0.4159 0.6626 2.3705 0.7273 2.2887 0.9969 3.9667 3.3912 1.4378 1.6523 0.3328 0.6350 0.0368 0.0451 1.7380 1.6431 0.9884 0.7115 1.6485 4.7247 2.7991 0.2954 0.7155 1.8721 0.8424 6.1752 4.2340 5.7462 9.2429 5.4563 2.8285 2.9813 1.5121 15.2759 8.0083 3.9796 1.6453 5.0861 11.7678 11.6790 6.3662 3.1042 1.7928 4.0361 15.0218 2.3903 1.7766 2.4120 9.5852 3.7924 1.3600 3.1883 2.0856 14.1904 5.1133 1.4120 0.7068 0.0830 7.3180 0.3334 1.3902 0.3073 0.4377 8.3658 16.8359 5.3551 1.6181 2.9418 10.6692 20.4785 20.6111 11.3311 16.8593 3.8952 1.5909 5.0037 3.8497 14.4687 8.0192 3.5557 29.2965 25.2026 5.2321 7.5526 28.2200 21.7661 16.8095 3.8911 4.6267 2.7770 0.6737 8.1606 3.9501 3.3345 0.9651 4.2233 9.1730 6.9801 2.8814 8.6731 3.0029 5.8566 9.6285 110.5943 23.0223 18.3230 10.8526 0.8617 10.9994 10.4924 1.2904 27.1983 11.2694 6.8271 15.9070 188.4776 43.2647 2.6701 60.9902 46.0781 58.9764 84.9928 97.0892 65.5238 102.2085 87.3429 30.5709 91.8443 62.7128 36.0188 73.3576 42.1611 41.0644 63.8481 162.2008 85.2761 45.0083 65.9326 123.8767 155.8853 55.9659 35.2753 41.5896 53.1180 0.7484 0.7500 0.7300 0.7254 0.7497 0.7499 0.7486 0.7390 0.7463 0.7366 0.7482 0.4957 0.7297 0.5162 0.7038 0.2740 0.3689 0.6792 0.1025 0.3058 0.6469 0.7497 0.4007 0.4798 0.6037 0.7441 0.6856 0.1646 0.6926 0.7499 0.7495 0.7455 0.5062 0.6716 0.7185 0.3452 0.7403 0.4414 0.2808 0.7496 0.7257 0.3554 0.4200 0.5685 0.7483 0.5740 0.2413 0.4942 0.6611 0.2340 0.7006 0.1810 0.2864 0.2252 0.0964 0.4830 0.3787 0.7463 0.1072 0.4453 0.1085 0.7023 0.4969 0.7499 0.1079 0.0277 0.2374 0.1122 0.6553 0.0817 0.1547 0.6319 0.7209 0.5919 0.1549 0.4705 0.6245 0.4615 0.4057 0.6582 0.1923 0.6798 0.7342 0.7485 0.2156 0.3582 0.7243 0.5988 0.6570 0.2077 0.1744 0.1375 0.2483 0.0905 0.1528 0.3547 0.3931 0.5194 0.3221 0.1591 0.2801 0.5046 0.4482 0.7257 0.7055 0.1280 0.6802 0.2310 0.1893 0.4146 0.4820 0.6802 0.1230 0.1149 0.5979 0.6618 0.7482 0.7465 0.4245 0.2101 0.3886 0.4134 0.2098 0.7408 0.2938 0.3258 0.7339 0.6952 0.7469 0.2990 0.7366 0.7189 0.3915 0.2836 0.7481 0.3486 0.4341 0.5421 0.6224 0.2753 0.2453 0.2870 0.2285 0.1080 0.0621 0.3376 0.4899 0.1271 0.5503 0.3364 0.6927 0.3268 0.3447 0.4215 0.4681 0.1263 0.5918 0.3066 0.2227 0.3865 0.2116 0.2111 0.0398 0.4507 0.1385 0.8561 0.8571 0.8440 0.8408 0.8569 0.8571 0.8562 0.8499 0.8547 0.8483 0.8560 0.6628 0.8437 0.6809 0.8261 0.4302 0.5389 0.8089 0.1860 0.4684 0.7856 0.8570 0.5722 0.6485 0.7529 0.8533 0.8135 0.2827 0.8184 0.8571 0.8568 0.8542 0.6721 0.8035 0.8362 0.5132 0.8507 0.6125 0.4384 0.8569 0.8411 0.5244 0.5916 0.7249 0.8560 0.7294 0.3888 0.6615 0.7960 0.3793 0.8239 0.3065 0.4453 0.3676 0.1758 0.6514 0.5493 0.8547 0.1936 0.6162 0.1958 0.8251 0.6639 0.8571 0.1947 0.0539 0.3837 0.2017 0.7918 0.1511 0.2679 0.7744 0.8378 0.7437 0.2683 0.6399 0.7689 0.6315 0.5772 0.7939 0.3226 0.8094 0.8467 0.8562 0.3547 0.5274 0.8401 0.7490 0.7930 0.3440 0.2970 0.2418 0.3979 0.1659 0.2651 0.5236 0.5643 0.6837 0.4873 0.2746 0.4376 0.6707 0.6190 0.8410 0.8273 0.2270 0.8096 0.3754 0.3184 0.5862 0.6505 0.8097 0.2191 0.2062 0.7484 0.7965 0.8560 0.8549 0.5960 0.3473 0.5597 0.5850 0.3468 0.8511 0.4542 0.4914 0.8465 0.8202 0.8551 0.4603 0.8483 0.8364 0.5628 0.4419 0.8559 0.5170 0.6054 0.7030 0.7673 0.4317 0.3940 0.4460 0.3719 0.1949 0.1170 0.5047 0.6576 0.2256 0.7099 0.5034 0.8185 0.4926 0.5127 0.5930 0.6377 0.2242 0.7435 0.4693 0.3642 0.5575 0.3493 0.3486 0.0766 0.6213 0.2433 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 16 6 6 1 6 6 6 6 6 6 9 7 1 1 6 6 8 7 6 6 6 6 6 6 16 8 8 7 6 6 6 6 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 31.97207 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 1.00783 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 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 7462.7908 50986.2665 55005.0774 0.99992 0.01254 0.00042 -0.01254 0.99989 0.00729 -0.00033 -0.00730 0.99997 1 0.01161 0.00170 0.00157 0.24183 0.03540 0.03281 6.68 13.84 25.86 34.91 40.49 55.25 57.39 70.04 73.36 78.45 94.24 130.13 147.65 163.65 205.47 217.95 235.04 252.74 280.16 318.24 348.77 364.88 388.77 395.03 427.63 454.66 536.36 556.45 567.47 584.62 613.06 642.44 649.70 654.80 666.03 694.97 777.46 801.79 804.44 853.97 860.54 869.62 890.52 911.88 934.58 948.95 967.01 970.91 993.25 1001.03 1023.23 1089.77 1143.10 1148.57 1163.02 1165.01 1197.37 1198.16 1259.17 1294.98 1311.66 1341.17 1343.32 1345.58 1346.80 1360.70 1372.57 1383.01 1388.49 1411.93 1429.70 1454.48 1470.28 1528.61 1531.49 1535.30 1551.17 1580.01 1580.79 1588.88 1598.59 1602.70 1617.02 1618.69 1636.76 1640.00 1711.95 1729.98 1731.68 1751.90 1759.80 1813.24 1819.89 1832.09 1845.12 1851.80 1859.36 1860.43 1877.24 1895.39 1897.31 1901.59 1928.23 1936.78 1987.32 1991.31 2007.17 2018.00 2036.17 2068.21 2095.79 2105.82 2109.62 2118.32 2128.27 2151.40 2178.58 2185.27 2198.26 2202.95 2224.18 2248.11 2283.13 2299.52 2338.01 2348.42 2354.23 2369.40 2409.29 2414.16 2426.66 2449.00 2495.06 2530.22 2572.21 2595.28 2600.28 2613.77 2625.93 2807.58 4595.43 4635.98 4657.18 4668.91 4713.97 4719.82 4731.91 4740.92 4750.56 4794.33 4804.63 4828.59 4833.46 4850.14 4872.48 4910.91 4911.40 4913.55 4915.79 4922.56 4967.13 4982.87 5215.47 5336.23 5540.20 0.492899 0.520737 0.521681 0.425560 -2167.141662 -2167.113823 -2167.112879 -2167.209000 3.223914D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE c1cc(sc1)[C@H](c2ccc(cc2)F)[NH2+]CC(=O)Nc3ccc(cc3)S(=O)(=O)N4CCCC4 C09252760 RHF 6-31G(d) (6D,10F) C1 474.132139 |X|Y|Z| 161.284088 56.541710 33.414685 67.292388 28 6 7 16 23 3 2 |36.858105| |13.294402|36.858105| |8.191820|14.099298|36.858105| |7.449661|7.456239|10.958287|388.023441| |14.169088|8.263524|7.701075|78.633512|36.858105| |5.054294|7.525399|12.681855|47.292281|4.815408|36.858105| |4.753645|7.327513|9.090559|36.289309|4.219022|17.630879|0.500000| |3.979096|5.166546|7.375383|39.489017|3.997250|12.556944|0.249129|36.858105| |3.443138|4.370844|5.359767|29.507473|3.334028|7.617225|0.207789|13.711238|36.858105| |2.855423|3.396573|4.001507|24.536169|2.834419|5.030391|0.134771|7.894643|13.769205|36.858105| |2.680406|3.077149|3.699171|24.599693|2.763472|4.457003|0.112318|6.908083|8.023618|13.823678|36.858105| |2.896437|3.299858|4.169896|29.363698|3.092027|4.990403|0.116807|7.898048|6.871019|7.892773|13.791772|36.858105| |3.516320|4.171627|5.781238|39.216962|3.775407|7.467364|0.155454|13.669948|7.946827|6.862565|8.015720|13.795351|36.858105| |2.292200|2.556726|2.961729|20.295248|2.367568|3.407110|0.088175|4.675126|5.328384|8.198019|14.463361|8.198092|5.329322|97.533100| |4.130575|5.431638|7.664804|39.639839|4.101972|12.435176|0.253914|7.720716|5.339448|4.038646|3.820610|4.431154|6.337726|6.847323|53.358707| |4.019386|4.920481|7.043803|44.039252|4.247605|8.977923|0.179800|6.861268|4.686955|3.760781|3.758741|4.606098|6.706590|6.809238|25.568195|0.500000| |3.433110|4.361452|5.702727|31.677161|3.405917|9.162771|0.217888|7.580926|5.587255|4.309003|4.071416|4.647971|6.366004|7.277674|25.678332|0.331552|0.500000| |4.070298|5.212212|6.182283|33.136304|3.877039|7.403908|0.196488|4.968065|3.972735|3.154572|2.962246|3.294613|4.255339|5.559390|17.479091|0.262634|0.257530|36.858105| |3.349821|3.888122|4.505458|28.461615|3.360552|4.977090|0.127507|3.903958|3.189796|2.686502|2.624668|2.968505|3.686334|5.058013|10.684085|0.223292|0.191257|12.424964|36.858105| |3.163285|3.574287|4.308438|29.510398|3.317032|4.748421|0.115374|3.982573|3.178923|2.736482|2.761195|3.226978|4.019375|5.326979|10.095144|0.256851|0.188083|8.116210|15.863476|73.516695| |2.971322|3.343756|3.618988|23.148931|2.922513|3.846084|0.103908|3.119989|2.677709|2.301588|2.234595|2.463757|2.937946|4.399368|7.124698|0.143170|0.134997|7.878328|14.260977|14.880313|53.358707| |2.522097|2.729312|2.916195|19.636324|2.525690|3.031921|0.081502|2.587189|2.261953|1.999526|1.970729|2.168275|2.511109|3.954084|5.282950|0.110487|0.103243|5.006531|7.656584|11.431430|18.217562|36.858105| |2.356372|2.502424|2.722725|19.186722|2.428093|2.811802|0.073779|2.477494|2.152719|1.935091|1.945961|2.170319|2.486760|3.934310|4.854486|0.106477|0.095760|4.204314|6.300149|11.542676|10.485751|13.740399|36.858105| |2.046627|2.135820|2.284218|16.295645|2.109196|2.334998|0.061866|2.103761|1.864024|1.702611|1.718228|1.896514|2.123956|3.525874|3.855831|0.083652|0.076886|3.229358|4.325973|7.911923|6.971960|7.975519|13.742976|36.858105| |1.908869|1.987207|2.081042|14.608677|1.935573|2.120556|0.057218|1.906952|1.717538|1.570842|1.569522|1.706570|1.896946|3.237060|3.422586|0.072368|0.068409|2.904848|3.687920|6.383587|6.195762|6.892233|7.914151|13.767090|36.858105| |1.994808|2.096179|2.164570|14.810868|1.984934|2.210988|0.060618|1.956159|1.771923|1.605076|1.582771|1.705969|1.908181|3.248681|3.563831|0.073604|0.070992|3.133984|3.909733|6.363609|7.069604|7.936259|6.837355|7.935919|13.732485|36.858105| |2.277146|2.438154|2.524883|16.868341|2.242360|2.601017|0.071656|2.244140|2.013083|1.794315|1.754280|1.895702|2.156700|3.557604|4.304345|0.087679|0.084982|3.999005|5.186055|7.846212|10.855060|13.704391|7.903696|6.895036|7.964632|13.809002|36.858105| |1.640051|1.685874|1.751591|12.435103|1.667447|1.774028|0.047999|1.626212|1.484525|1.376791|1.381566|1.491048|1.628700|2.885220|2.781147|0.058727|0.055914|2.285831|2.750843|4.853232|4.347432|4.192673|4.708996|6.931730|10.703935|6.934295|4.725161|388.023441| |1.595138|1.630926|1.669248|11.768559|1.606155|1.677029|0.045789|1.529637|1.406753|1.302553|1.297797|1.389941|1.517099|2.713028|2.589804|0.054074|0.051786|2.145476|2.511468|4.330958|4.001297|3.719515|3.857959|5.009662|7.411270|6.511089|4.447217|94.795769|73.516695| |1.616770|1.645965|1.720973|12.468274|1.666322|1.729954|0.046313|1.599672|1.453572|1.355785|1.373143|1.492016|1.623197|2.877029|2.698945|0.057820|0.054071|2.174592|2.614287|4.751498|3.978701|3.719652|4.447112|6.537922|7.407988|4.988247|3.859757|94.820335|13.544789|73.516695| |1.503489|1.560061|1.627697|11.453611|1.523026|1.674612|0.045539|1.555523|1.433678|1.339895|1.345451|1.442526|1.559631|2.826988|2.619745|0.054936|0.053568|2.122243|2.517587|4.463156|3.909463|3.625651|3.988832|5.355012|6.984972|5.418010|4.025276|84.105443|13.796836|13.813667|53.358707| |1.425722|1.486112|1.538315|10.680924|1.429343|1.590395|0.043729|1.478447|1.377291|1.288405|1.284417|1.363312|1.468381|2.705232|2.465498|0.050989|0.050680|2.003232|2.320810|4.036949|3.620437|3.245541|3.349060|4.105055|5.283174|4.879262|3.742136|49.908457|11.637748|8.878965|17.677720|36.858105| |1.308254|1.364504|1.418349|9.879256|1.315609|1.474452|0.040497|1.389839|1.302931|1.230429|1.232132|1.303328|1.388965|2.614490|2.269848|0.047002|0.047060|1.808518|2.068492|3.650603|3.135596|2.716630|2.845098|3.374044|3.935930|3.604403|2.984751|34.899994|7.919291|7.275011|11.150318|12.469107|36.858105| |1.351125|1.413391|1.485970|10.413249|1.368954|1.554469|0.042360|1.474912|1.374985|1.302209|1.313799|1.398683|1.488215|2.788495|2.416400|0.050481|0.050404|1.904761|2.210437|3.978969|3.302068|2.875861|3.130987|3.753108|4.112963|3.570412|3.027067|34.708809|7.116490|7.756161|11.060697|7.937420|12.440059|36.858105| |1.446468|1.503551|1.584841|11.234205|1.476256|1.642218|0.044380|1.547074|1.426200|1.344063|1.361125|1.463276|1.568989|2.874751|2.571185|0.054332|0.053065|2.038115|2.415889|4.394189|3.629917|3.273045|3.740891|4.865137|5.335312|4.174543|3.403703|50.100778|8.866540|11.693808|17.636787|7.754238|7.891207|12.432780|36.858105| |17.765326|8.591475|5.712973|37.690290|8.913301|4.041479|0.110296|3.309487|2.984153|2.532312|2.369718|2.511957|2.952126|4.647696|4.665134|0.092150|0.081545|3.486163|2.942771|4.902822|3.676286|2.334419|2.172593|1.916015|1.811783|1.903421|2.153459|11.181956|2.746718|2.748981|1.960130|1.372791|1.258691|1.290795|1.378703|0.500000| |8.609366|17.720175|8.895475|37.665271|5.745243|6.741456|0.215685|4.745609|4.311200|3.329248|2.926130|3.034310|3.724573|5.519065|6.799425|0.120212|0.116164|5.041217|3.683829|5.856819|4.445982|2.655704|2.391214|2.053653|1.938000|2.071826|2.419193|11.715230|2.853473|2.831671|2.087602|1.475229|1.353968|1.394189|1.471913|0.202013|0.500000| |8.764709|5.696100|5.416851|55.566635|17.787531|3.828856|0.094855|3.346546|2.861464|2.513554|2.493149|2.783279|3.278420|4.911354|4.645826|0.099779|0.081020|3.271479|2.968114|5.287662|3.591671|2.345656|2.290340|2.022679|1.859726|1.889948|2.101487|11.535861|2.784217|2.907190|2.009041|1.381061|1.273353|1.323585|1.432183|0.203385|0.122693|0.500000| |3.481359|4.533129|5.155369|26.972827|3.227952|7.084290|0.231213|8.889671|17.711326|8.975665|5.694330|4.950573|5.640805|9.650988|6.756314|0.116780|0.142251|3.954437|3.097692|5.314399|3.617502|2.231881|2.088989|1.814583|1.691595|1.765243|2.013725|10.399390|2.482336|2.527002|1.922779|1.366847|1.289378|1.350776|1.395610|0.085290|0.132177|0.076705|0.500000| |2.575902|3.016652|3.394335|20.935249|2.521882|4.096526|0.114947|5.614509|8.860775|17.752260|8.959338|5.639726|4.949566|16.731991|4.611128|0.087363|0.100208|2.774391|2.386573|4.274431|2.844196|1.833162|1.768576|1.572149|1.463896|1.500198|1.667103|9.196184|2.185543|2.258414|1.720906|1.223235|1.172249|1.235454|1.267456|0.064777|0.084040|0.062867|0.214733|0.500000| |2.629098|2.898809|3.577549|26.728770|2.859802|4.057147|0.096291|5.614871|4.954014|5.641760|8.951743|17.752572|8.872871|16.751416|5.184448|0.113713|0.110159|2.945099|2.757185|5.433507|3.148817|2.076714|2.115323|1.866817|1.671598|1.652713|1.816450|10.469911|2.429276|2.641434|1.941959|1.342009|1.289319|1.390569|1.457992|0.063998|0.073799|0.073235|0.107537|0.124555|0.500000| |3.612444|4.146832|5.855075|45.257312|4.054059|6.827122|0.139089|8.821906|5.628498|4.945759|5.700619|9.027089|17.699615|9.674976|9.019611|0.224487|0.174478|4.474784|4.059450|8.270885|4.301826|2.714525|2.738983|2.316196|2.035630|2.026081|2.289309|12.350289|2.855545|3.101880|2.245150|1.537017|1.448749|1.560102|1.662326|0.083444|0.099957|0.098579|0.123483|0.107457|0.216385|0.500000| |3.620562|4.654570|5.145962|27.276471|3.342722|6.422545|0.196353|4.576660|3.921168|3.115219|2.851270|3.060133|3.808243|5.398317|12.346479|0.183826|0.230428|17.621987|8.680168|10.774389|9.674483|4.669313|3.806948|3.012716|2.792147|3.083960|3.954088|15.757161|3.734006|3.691260|2.842843|2.006456|1.813988|1.895518|1.997005|0.088921|0.134597|0.079451|0.112864|0.077569|0.075621|0.106408|0.500000| |5.032597|6.564864|7.238313|37.282486|4.616848|7.149264|0.191474|4.626408|3.743014|2.976415|2.784940|3.079653|3.949159|5.260050|12.407434|0.211697|0.181661|17.628155|8.828846|11.430845|9.228278|4.593909|3.874221|3.051194|2.784106|3.019021|3.808040|15.754698|3.750911|3.762964|2.758357|1.913303|1.719522|1.793022|1.928537|0.117774|0.172422|0.105376|0.105042|0.073273|0.076832|0.115836|0.299969|0.500000| |3.017459|3.433020|3.578818|22.084914|2.876976|3.785121|0.106438|3.025023|2.651394|2.263028|2.160199|2.339537|2.773154|4.258277|6.659996|0.126849|0.126092|7.683373|9.546676|10.857288|26.018710|9.309792|5.745391|4.297467|4.099580|4.949739|7.704710|21.185241|5.038199|4.773906|3.673849|2.566676|2.216769|2.287854|2.472580|0.077254|0.095972|0.071780|0.074650|0.057590|0.060518|0.081064|0.218106|0.195031|0.500000| |2.467728|2.624423|2.932040|21.149487|2.593476|3.040135|0.077851|2.702713|2.304898|2.073878|2.112389|2.399603|2.772836|4.248876|5.361551|0.122891|0.105445|4.436236|6.855024|14.833042|9.485918|8.887929|17.827154|8.938776|5.649209|4.942067|5.629380|27.763535|5.765881|6.939147|4.664027|2.903809|2.558327|2.857787|3.368170|0.062324|0.068545|0.067846|0.061225|0.052133|0.065388|0.086735|0.107466|0.111892|0.142892|0.500000| |1.933961|1.999686|2.149723|15.651413|2.017730|2.188796|0.057538|2.007023|1.780169|1.643370|1.675856|1.857623|2.058644|3.462857|3.565510|0.078375|0.071373|2.883222|3.747706|7.160102|5.641531|5.667807|8.940445|17.757435|8.943349|5.652259|4.967070|47.145067|8.219052|13.407682|7.177029|3.884268|3.329604|3.831631|5.211082|0.050290|0.053072|0.054266|0.047802|0.042162|0.051356|0.062699|0.074323|0.075994|0.098205|0.216071|0.500000| |1.858764|1.943671|1.981145|13.503515|1.835270|2.016143|0.055812|1.793914|1.644670|1.496453|1.469716|1.569817|1.741752|3.033033|3.179732|0.065029|0.063508|2.766626|3.290932|5.350500|5.737754|5.646454|4.937055|5.648525|8.911938|17.757581|8.937736|47.076361|13.224675|8.160221|7.313477|5.296665|3.751582|3.504493|3.960367|0.049786|0.053821|0.048737|0.045797|0.039121|0.042231|0.050929|0.076864|0.074901|0.117088|0.107403|0.124342|0.500000| |2.317250|2.502214|2.542173|16.571973|2.235862|2.621730|0.073755|2.238742|2.030826|1.798987|1.737216|1.856718|2.112764|3.518072|4.262727|0.084508|0.084042|4.047924|4.860581|7.073556|10.022320|8.876745|5.625602|4.962023|5.660782|8.959341|17.698342|27.796878|6.920871|5.754420|4.707584|3.379301|2.739001|2.715841|2.949105|0.061392|0.070228|0.057844|0.057174|0.046674|0.049021|0.061485|0.115849|0.108623|0.236911|0.123718|0.107742|0.216144|0.500000| |1.489057|1.565232|1.619781|11.113982|1.483485|1.687248|0.046654|1.560102|1.454832|1.354487|1.343090|1.422356|1.538291|2.817989|2.632796|0.054014|0.054341|2.162671|2.509889|4.300891|3.984497|3.584047|3.565471|4.225293|5.498505|5.534596|4.268137|43.423811|10.303164|7.745705|12.255452|17.515282|8.774475|6.685160|6.243812|0.039768|0.043380|0.039565|0.040251|0.035720|0.038684|0.044573|0.060824|0.056972|0.079158|0.084624|0.106412|0.169717|0.108165|0.500000| |1.389795|1.439843|1.478201|10.274062|1.389490|1.515596|0.041785|1.405177|1.312522|1.227285|1.220393|1.291895|1.391103|2.572776|2.326494|0.047999|0.047511|1.894998|2.167715|3.744663|3.383399|2.993668|3.037598|3.668692|4.762914|4.579047|3.506912|46.785011|13.197574|8.393916|12.332494|17.664114|8.681831|5.701946|5.796244|0.037391|0.039775|0.037422|0.036299|0.032440|0.035291|0.040385|0.052739|0.050839|0.067478|0.073468|0.096384|0.146376|0.089918|0.300534|0.500000| |1.267238|1.327071|1.376206|9.513519|1.267983|1.437799|0.039718|1.358747|1.282349|1.213034|1.210243|1.272395|1.351763|2.572992|2.203471|0.045301|0.045910|1.752862|1.979577|3.469481|2.992568|2.541023|2.601640|2.978724|3.424019|3.280458|2.800538|28.277678|6.688561|5.966408|7.921915|8.730250|17.590146|8.676548|5.641905|0.033919|0.036765|0.034007|0.035372|0.032225|0.034877|0.038923|0.049304|0.046195|0.059393|0.065429|0.080544|0.095850|0.072983|0.218654|0.194169|0.500000| |1.242394|1.287320|1.334054|9.352685|1.252186|1.377524|0.037779|1.302173|1.222606|1.158305|1.162191|1.228555|1.304758|2.474392|2.102672|0.043650|0.043410|1.666023|1.890464|3.349847|2.839925|2.435831|2.564640|3.038582|3.501197|3.185164|2.655174|32.389018|7.610098|7.093414|9.411277|8.862422|17.564056|8.812391|6.801469|0.033308|0.035425|0.033831|0.033590|0.030701|0.033856|0.037820|0.046221|0.044332|0.055879|0.064783|0.084899|0.092626|0.068094|0.174383|0.220464|0.301452|0.500000| |1.397119|1.473903|1.556431|10.815634|1.411622|1.645488|0.044938|1.562530|1.457673|1.378759|1.388553|1.476707|1.572914|2.940934|2.578302|0.053641|0.054264|2.033344|2.368084|4.253606|3.540005|3.068299|3.304777|3.841065|4.122586|3.678272|3.204344|31.477471|6.509562|6.928320|9.115230|6.833279|8.828417|17.547482|8.823922|0.036946|0.040485|0.037698|0.039785|0.036313|0.040664|0.045676|0.056591|0.052584|0.067994|0.083822|0.106266|0.098660|0.079996|0.187686|0.137976|0.217070|0.173947|0.500000| |1.273078|1.328347|1.398243|9.848030|1.293704|1.462181|0.039776|1.399990|1.309959|1.249298|1.265755|1.345298|1.420211|2.702549|2.255162|0.047214|0.047141|1.754815|2.014035|3.657417|2.955252|2.518266|2.750767|3.222542|3.407570|2.986564|2.602414|28.389516|5.988068|6.757599|7.947248|5.662134|8.674044|17.594784|8.732403|0.033803|0.036349|0.034847|0.035662|0.032997|0.037330|0.041296|0.048422|0.045965|0.056934|0.071428|0.093434|0.081367|0.065602|0.136099|0.126024|0.196383|0.216214|0.301964|0.500000| |1.382705|1.426066|1.500444|10.741944|1.417795|1.542963|0.041574|1.460547|1.347800|1.275862|1.297042|1.395122|1.488793|2.750914|2.391897|0.050763|0.049144|1.878946|2.203753|4.038015|3.263300|2.888629|3.315368|4.251103|4.529585|3.581061|2.970224|44.609293|8.263169|12.112268|12.345475|6.072092|6.484545|8.712389|17.617053|0.036698|0.038658|0.038450|0.036568|0.033457|0.038798|0.043885|0.050859|0.049798|0.061912|0.084852|0.131800|0.095450|0.072350|0.134658|0.141233|0.133434|0.180579|0.174592|0.219530|0.500000| |1.533853|1.600697|1.703789|12.118024|1.573705|1.774611|0.047634|1.673338|1.530954|1.440770|1.465689|1.587279|1.707754|3.085285|2.813994|0.059965|0.058254|2.221606|2.685658|4.971581|4.001300|3.651827|4.378479|5.803749|5.761785|4.332701|3.638534|46.172097|7.964981|11.477210|12.221295|5.900313|5.731805|8.717186|17.585178|0.040340|0.043320|0.042291|0.041392|0.037548|0.044020|0.050575|0.059982|0.057853|0.074175|0.110623|0.180808|0.108549|0.085759|0.148762|0.128348|0.126926|0.137670|0.223614|0.192587|0.301815|0.500000| 2165.202721 -11786.604078 4332.136361 -233.310759 -5522.575754 3354.941162 -2167.634592 2.001123 40BB00000000001C 44E64F5F3319AB9C 4466EFEEBA3102AF 42853A4C3ECFFFFA 33F7B3CC277B6124 449A4E9F5F86BD59