Version2.4 2021-06-01T16:36:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)Br)C(=O)N(C2=O)c4ccc(cc4)C(=O)C)C(=O)[O-] C33429140 RHF 6-31G(d) (6D,7F) CC[C@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)Br)C(=O)N(C2=O)c4ccc(cc4)C(=O)C)C(=O)[O-] C01[X(C25H25Br1N2O5)] 168 C1 560 CC[C@@H]([C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)c1ccc(cc1)Br)C(=O)[O-])C CC[C@@H]([C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)c1ccc(cc1)Br)C(=O)[O-])C CC[C@H](C)[C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c3ccc(cc3)C(C)=O)c4ccc(Br)cc4)C([O-])=O InChIKey=XNDRBHVHXHXUGK-HYYHKEMMSA-N InChI=1S/C25H25BrN2O5/c1-4-13(2)25(24(32)33)20-19(21(27-25)16-5-9-17(26)10-6-16)22(30)28(23(20)31)18-11-7-15(8-12-18)14(3)29/h5-13,19-21,27H,4H2,1-3H3,(H,32,33)/t13-,19-,20+,21-,25-/m0/s1 InChI=1/C25H25BrN2O5/c1-4-13(2)25(24(32)33)20-19(21(27-25)16-5-9-17(26)10-6-16)22(30)28(23(20)31)18-11-7-15(8-12-18)14(3)29/h5-13,19-21,27H,4H2,1-3H3,(H,32,33)/t13-,19-,20+,21-,25-/m0/s1/f/h27H CC[C@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)Br)C(=O)N(C2=O)c4ccc(cc4)C(=O)C)C(=O)[O-] C01[X(C25H25Br1N2O5)] 168 C01 560 CC[C@@H]([C@@]1([NH2+][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)c1ccc(cc1)Br)C(=O)[O-])C CC[C@@H]([C@@]1([NH2][C@H]([C@@H]2[C@@H]1C(=O)N(C2=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)C)[C]1[CH][CH][C]([CH][CH]1)Br)[C]([O])=O)C CC[C@H](C)[C@@]1([NH2][C@@H]([C]2[CH][CH][C](Br)[CH][CH]2)[C@@H]3[C@@H]1C(=O)N([C]4[CH][CH][C]([CH][CH]4)C(C)=O)C3=O)C([O])=O InChIKey=LHAOVXUSMJLBDS-HYYHKEMMSA-N InChI=1S/C25H25BrN2O5/c1-4-13(2)25(24(32)33)20-19(21(27-25)16-5-9-17(26)10-6-16)22(30)28(23(20)31)18-11-7-15(8-12-18)14(3)29/h5-13,19-21H,4,27H2,1-3H3/t13-,19-,20+,21-,25-/m0/s1 InChI=1/C25H25BrN2O5/c1-4-13(2)25(24(32)33)20-19(21(27-25)16-5-9-17(26)10-6-16)22(30)28(23(20)31)18-11-7-15(8-12-18)14(3)29/h5-13,19-21H,4,27H2,1-3H3/t13-,19-,20+,21-,25-/m0/s1 3885.7775885929 -4014.3665109 1-A 21650.7668 132 428 560 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.07844 -64.48994 -58.62945 -58.62757 -58.62746 -20.58831 -20.58385 -20.55804 -20.49830 -20.48562 -15.70268 -15.64922 -11.40656 -11.40395 -11.35618 -11.33916 -11.33226 -11.32465 -11.31910 -11.30569 -11.30325 -11.29708 -11.28812 -11.27335 -11.26994 -11.26965 -11.26948 -11.26787 -11.26040 -11.25582 -11.25473 -11.25354 -11.25136 -11.24226 -11.23517 -11.23230 -11.21784 -9.73831 -7.48763 -7.47868 -7.47865 -3.22660 -3.22227 -3.22221 -3.21185 -3.21184 -1.46373 -1.44434 -1.40474 -1.39441 -1.34937 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1543.4749 1547.3334 1559.0425 1566.9089 1571.5343 1573.3168 1576.6871 1584.6874 1617.3903 1625.1219 1637.9623 1642.2788 1652.8444 1655.1781 1663.6546 1676.8415 1694.7049 1765.9173 1775.2839 1804.8568 1817.3932 1842.5642 1967.3841 1993.1073 2018.8737 2079.7242 3136.9553 3191.2922 3192.5016 3201.1346 3209.8656 3215.2986 3240.8667 3255.4224 3275.4284 3275.7585 3279.4994 3284.4836 3294.2483 3302.4940 3329.7739 3348.5628 3378.0952 3383.7667 3393.2912 3403.8401 3410.6761 3411.3200 3414.7185 3422.1838 3766.7583 10.4292 6.2773 4.1590 6.1955 5.4888 4.5255 3.5634 4.1100 7.6015 2.7659 7.1623 4.0550 7.7843 4.9971 8.3591 5.6294 6.0888 6.7774 1.0462 3.7658 3.6617 2.4668 1.4105 2.8467 2.9628 5.4186 5.3067 6.0469 3.4970 3.7278 4.9274 5.0371 4.3557 3.5657 4.5168 5.1372 2.9290 3.0359 2.7359 4.7495 4.9656 5.4667 3.5537 3.9551 3.8670 4.2271 4.5743 2.3736 7.1328 6.8371 6.5305 4.8300 5.0381 5.7963 4.1481 3.9734 3.9816 2.4650 2.0547 3.5971 4.7517 3.4402 7.4504 3.1488 1.5797 1.5182 1.6112 2.0859 2.3492 1.6159 3.1286 2.9635 3.2186 2.4889 2.1609 1.3861 1.3591 2.9162 2.3458 1.9160 2.4614 1.9324 1.7875 2.2115 1.4330 1.8576 2.7303 3.1872 2.2263 2.4021 1.9291 2.3453 2.4333 2.4146 2.7920 2.1806 2.3597 1.9977 1.4322 1.6801 1.5898 2.2974 1.3858 2.0672 3.2751 2.1647 1.2721 1.3256 1.6890 1.3252 1.3994 1.6489 1.7021 1.5787 1.6233 1.9194 2.8389 1.4705 1.3949 1.7522 1.7732 1.2957 2.6009 1.2513 1.7814 1.0513 1.0473 1.0463 1.0514 1.0474 1.0583 1.0874 2.1612 2.5310 5.7121 6.5389 4.6209 5.4588 1.0978 10.1060 11.5680 12.9391 12.9755 1.0836 1.0826 1.0647 1.0524 1.0829 1.0393 1.0440 1.0899 1.1013 1.0910 1.0792 1.0999 1.0888 1.0997 1.1023 1.1033 1.0913 1.0934 1.0899 1.0913 1.0951 1.0956 1.0959 1.0955 1.0778 0.0016 0.0017 0.0020 0.0040 0.0062 0.0099 0.0085 0.0102 0.0251 0.0117 0.0412 0.0301 0.0633 0.0464 0.0906 0.0849 0.1056 0.1320 0.0220 0.0930 0.1018 0.0744 0.0472 0.1066 0.1436 0.2831 0.3016 0.3608 0.2252 0.2516 0.3502 0.4299 0.4249 0.3733 0.4981 0.6082 0.3632 0.3784 0.3616 0.6643 0.8070 0.9369 0.6518 0.7422 0.8075 0.9389 1.1299 0.6059 1.8650 1.9311 1.8568 1.3863 1.5628 1.9460 1.4638 1.4919 1.5086 1.0056 0.8391 1.4935 2.0491 1.5404 3.4369 1.4989 0.8198 0.7923 0.8601 1.1271 1.3057 0.9253 1.8351 1.8606 2.0941 1.6250 1.4405 0.9653 0.9496 2.0530 1.6852 1.3840 1.7971 1.4174 1.3206 1.7252 1.1335 1.4700 2.2166 2.6285 1.8503 2.0515 1.6522 2.0941 2.1771 2.2158 2.6244 2.0865 2.3188 1.9798 1.4414 1.7090 1.6408 2.3807 1.4546 2.2592 3.7593 2.4972 1.4959 1.6298 2.1173 1.6652 1.7843 2.1270 2.2193 2.0835 2.1876 2.6034 3.9036 2.0640 1.9677 2.5092 2.5651 1.8854 3.7932 1.8327 2.6357 1.6204 1.6296 1.6539 1.6708 1.6859 1.7083 1.7732 3.5803 4.2828 10.4951 12.1420 8.8688 10.6229 2.1958 23.0466 27.0751 31.0723 33.0663 6.2825 6.4959 6.3938 6.3536 6.5737 6.3304 6.4603 6.8052 6.9612 6.8978 6.8385 6.9907 6.9615 7.0663 7.2005 7.2888 7.3373 7.3761 7.3940 7.4494 7.5059 7.5118 7.5286 7.5592 9.0096 0.0595 2.3650 3.1393 1.1511 0.4628 0.3742 0.5111 1.9199 1.6615 0.2857 1.6044 5.8910 2.5293 2.6535 8.7854 2.2216 8.3295 9.3760 0.0405 2.4436 6.8220 7.6773 1.6169 2.5872 4.3382 5.7706 7.3259 2.2524 1.6804 0.8489 0.6837 4.1997 17.9419 22.7648 8.6015 8.7406 0.8216 2.9420 8.6017 2.5507 11.7333 2.0132 3.4393 4.4310 11.7077 3.9444 22.4669 17.8587 10.9727 0.2799 1.5009 8.9270 23.3310 62.7682 13.2757 7.7377 0.9301 8.2211 14.8682 7.0106 12.5919 48.7863 5.6898 20.2732 3.2482 23.7122 10.8036 18.2732 44.7171 38.2889 29.5878 41.3707 9.2963 38.2961 4.8858 1.9441 2.4887 36.0410 24.0980 22.8139 3.6573 5.7486 2.7722 9.4684 0.5365 0.9947 8.3067 30.8557 5.6906 9.9088 1.5603 52.1624 16.8028 14.4913 63.2313 7.0838 50.4907 21.0917 47.7886 16.3155 29.2113 41.5337 15.7346 35.0554 268.6653 74.2002 15.1605 36.4465 93.7035 3.4582 9.8706 156.5030 69.0834 89.6242 68.1140 171.2096 311.3341 16.4900 37.6823 80.1591 20.7911 2.9234 33.0610 14.0571 16.4066 7.8054 9.5881 2.0270 2.8932 13.4141 6.2647 6.8222 65.2122 47.6598 6.5948 12.3080 16.7386 78.0602 61.3233 362.2982 249.0430 784.9456 96.3479 34.3117 5.7067 49.6277 32.7049 13.7501 4.0233 25.8934 25.0192 14.1865 21.1311 306.3316 45.8079 10.2345 49.9265 16.6764 4.3801 6.7958 19.4154 10.8298 2.4448 0.9248 2.0999 5.6130 2.0881 57.4836 1.9182 1.0157 4.2170 1.8989 1.0421 3.3145 0.9450 2.0992 2.1280 0.8446 0.7389 0.3286 0.1456 0.6606 0.3528 1.0391 0.7232 0.4194 0.0091 2.7997 0.5206 0.7323 0.6469 1.4561 1.0700 2.2565 2.4950 2.2375 1.4880 1.5969 0.7258 2.9333 2.1110 1.2238 0.8628 1.2777 0.3800 0.1286 0.5729 0.4357 1.3928 1.1310 0.7266 1.2704 1.8271 1.8189 1.4089 1.1017 11.8506 4.6734 8.9271 9.2075 0.9392 4.8721 1.1215 1.4967 1.3574 1.0496 8.8408 13.9172 3.9987 12.6289 9.1314 8.8569 0.7808 1.2293 1.7498 2.2477 3.0706 1.3903 2.0215 3.7407 3.2983 1.8499 7.7107 1.7933 1.7596 6.5055 1.1527 0.8372 5.6429 1.3568 0.5738 3.4049 0.7792 4.2268 6.6334 16.9460 16.0671 3.1747 3.4444 5.0348 1.3037 8.2520 7.4284 3.1370 24.1200 9.6323 4.5394 2.5912 1.2549 1.2465 6.8430 9.0536 41.8467 1.7908 2.6564 8.9438 6.4740 1.3587 3.6138 6.1498 22.5482 4.2759 0.7564 6.8769 31.1409 3.2314 3.2437 11.7118 1.6473 3.0501 3.3079 2.3894 2.6055 11.1967 22.5878 13.3664 14.4971 23.7940 12.5832 6.9686 0.3168 0.8903 5.0508 2.2838 57.2581 228.8461 10.1363 1.4434 51.6823 0.9507 21.7801 25.5197 83.3459 29.8887 119.4450 23.9076 96.5421 122.7113 115.9589 44.8379 83.2657 12.5358 29.7914 64.8049 81.7651 124.5170 32.0204 48.7114 70.5676 51.9999 45.9221 26.0365 147.5333 70.9034 89.0540 57.1093 0.7336 0.7412 0.7446 0.7453 0.7182 0.7495 0.6758 0.7488 0.7482 0.5430 0.6954 0.6682 0.7332 0.4360 0.1992 0.6209 0.5453 0.5949 0.6998 0.1446 0.7385 0.5130 0.0953 0.5878 0.7500 0.7475 0.3326 0.5872 0.4176 0.2241 0.7084 0.2676 0.3327 0.7107 0.7471 0.7417 0.6575 0.3197 0.5094 0.3732 0.7492 0.6319 0.7488 0.7117 0.3446 0.5595 0.5031 0.7500 0.1520 0.5767 0.7367 0.1321 0.7216 0.1463 0.6833 0.2240 0.3557 0.4297 0.0591 0.1270 0.2975 0.1344 0.1507 0.1820 0.7324 0.6428 0.7152 0.6820 0.5523 0.7385 0.1401 0.7054 0.7022 0.3805 0.4591 0.7361 0.6394 0.7044 0.2921 0.2973 0.5894 0.1750 0.0592 0.4992 0.7064 0.7491 0.2052 0.1280 0.2038 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0.8455 0.7826 0.8340 0.8109 0.7116 0.8496 0.2458 0.8272 0.8250 0.5513 0.6293 0.8480 0.7801 0.8266 0.4521 0.4583 0.7417 0.2979 0.1118 0.6660 0.8280 0.8565 0.3405 0.2269 0.3386 0.3703 0.3822 0.8563 0.8321 0.8331 0.6757 0.8317 0.1139 0.0909 0.7363 0.7857 0.4220 0.8346 0.2611 0.6197 0.3892 0.8566 0.8557 0.5616 0.8494 0.8211 0.7291 0.7807 0.7423 0.5563 0.8571 0.6642 0.4260 0.7499 0.6341 0.5234 0.7662 0.8534 0.6781 0.8035 0.8553 0.8238 0.8571 0.8316 0.8431 0.8448 0.8570 0.8253 0.1603 0.7600 0.8514 0.6398 0.6666 0.6051 0.7153 0.7890 0.4761 0.5239 0.5845 0.6269 0.3155 0.8550 0.0253 0.4486 0.0200 0.1186 0.6434 0.8565 0.3722 0.5561 0.8009 0.3750 0.8566 0.6925 0.8401 0.4930 0.6066 0.6932 0.7525 0.8028 0.2577 0.2681 0.2695 0.4252 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 58 6 6 6 1 6 6 6 1 6 1 6 1 7 1 1 6 6 6 6 6 6 35 6 8 7 6 8 6 6 6 6 6 6 6 8 6 6 8 8 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 1.00783 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 15.99491 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 17941.2858 24688.0109 39071.0667 0.99105 0.13332 0.00630 -0.13335 0.99106 0.00421 -0.00569 -0.00501 0.99997 1 0.00483 0.00351 0.00222 0.10059 0.07310 0.04619 23.54 31.12 41.31 47.58 62.79 87.61 91.60 93.28 107.81 121.74 142.19 161.62 168.98 180.58 195.14 230.24 246.88 261.63 271.90 294.56 312.58 325.50 342.96 362.75 412.63 428.45 446.86 457.89 475.63 486.94 499.72 547.60 585.47 606.52 622.45 644.93 660.09 661.73 681.42 701.03 755.65 775.96 802.74 811.98 856.56 883.38 931.59 946.99 958.48 996.18 999.48 1004.20 1043.96 1086.10 1113.47 1148.55 1153.78 1197.22 1197.87 1207.80 1230.92 1254.25 1273.09 1293.23 1350.32 1354.10 1369.48 1377.88 1397.43 1418.43 1435.57 1485.23 1511.95 1514.56 1530.41 1564.20 1566.80 1572.73 1588.72 1593.10 1601.65 1605.35 1611.13 1655.53 1667.06 1667.44 1688.91 1702.23 1708.83 1732.24 1734.72 1771.19 1773.00 1795.60 1817.30 1833.53 1858.09 1866.01 1880.44 1890.48 1904.27 1908.09 1920.35 1959.56 2008.19 2013.22 2032.67 2078.40 2098.70 2101.14 2116.58 2128.89 2140.39 2153.35 2175.99 2182.97 2197.98 2220.72 2226.27 2243.11 2254.43 2261.09 2263.65 2268.50 2280.01 2327.06 2338.19 2356.66 2362.87 2378.07 2381.43 2393.63 2412.60 2438.30 2540.76 2554.24 2596.79 2614.82 2651.04 2830.63 2867.64 2904.71 2992.26 4513.38 4591.56 4593.30 4605.72 4618.28 4626.10 4662.88 4683.83 4712.61 4713.09 4718.47 4725.64 4739.69 4751.55 4790.80 4817.84 4860.33 4868.49 4882.19 4897.37 4907.20 4908.13 4913.02 4923.76 5419.53 0.498876 0.527578 0.528522 0.435762 -4013.867635 -4013.838933 -4013.837989 -4013.930749 3.111186D-04 MUNgauss RevisionA2.1 retrievium 01-Jun-2021 DUDE CC[C@H](C)[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)c3ccc(cc3)Br)C(=O)N(C2=O)c4ccc(cc4)C(=O)C)C(=O)[O-] C33429140 RHF 6-31G(d) (6D,10F) C1 512.094683 |X|Y|Z| 92.686045 109.244429 33.563076 69.784419 20 6 7 18 2 |36.858105| |12.455685|36.858105| |7.394436|12.314955|36.858105| |7.166919|8.874622|17.446866|0.500000| |5.914990|7.518153|12.419967|0.247831|36.858105| |4.898321|7.500689|12.300660|0.246770|7.407144|36.858105| |3.660617|4.781965|7.137633|0.180616|5.998838|12.384109|36.858105| |3.179101|4.101685|5.400391|0.135730|4.678162|9.013628|17.490576|0.500000| |3.474166|4.214304|5.921922|0.179966|4.796473|7.905828|12.595582|0.250840|36.858105| |3.860048|4.502125|6.598469|0.229909|5.332100|7.194862|8.949101|0.175802|17.508219|0.500000| |3.517063|4.303605|5.376179|0.161160|4.029542|7.397934|7.977222|0.205090|12.466933|0.248368|36.858105| |3.517612|4.064636|4.842194|0.155329|3.667500|5.738159|5.774409|0.145569|8.797050|0.227101|17.642170|0.500000| |4.495385|6.181911|7.569647|0.204386|4.891558|12.210481|8.196850|0.202572|8.218856|0.198847|12.539888|0.251542|53.358707| |5.309155|7.083947|7.726248|0.227826|4.786054|8.944690|6.092233|0.148006|6.502032|0.180159|9.114320|0.242475|25.816670|0.500000| |4.079920|5.626006|6.057619|0.153263|4.253862|9.446896|6.671451|0.189749|6.093637|0.145465|8.761719|0.187575|25.094678|0.323851|0.500000| |2.825920|3.384927|3.925107|0.111409|3.179764|5.283990|5.941829|0.185776|7.341085|0.152619|12.540084|0.249255|10.169072|0.163388|0.201539|36.858105| |2.436067|2.786577|3.168601|0.092285|2.675486|3.903479|4.423337|0.132429|5.661825|0.128402|7.677025|0.203076|6.853341|0.122763|0.133936|13.675420|36.858105| |2.100029|2.376083|2.629447|0.075042|2.287015|3.176621|3.545506|0.109091|4.136666|0.097267|5.051304|0.133728|5.252320|0.096015|0.108042|7.892931|13.805880|36.858105| |2.033931|2.332124|2.540343|0.070535|2.225305|3.121617|3.427430|0.109932|3.699753|0.086655|4.440587|0.112225|5.031664|0.090707|0.109047|6.869314|7.988602|13.754431|36.858105| |2.238615|2.641967|2.873364|0.077782|2.483399|3.690297|3.988066|0.134606|4.051553|0.092728|4.969773|0.118021|5.961072|0.103476|0.136747|7.907719|6.892267|7.927916|13.818560|36.858105| |2.661654|3.247168|3.628520|0.097639|3.008868|5.006469|5.396661|0.188520|5.459844|0.118669|7.409764|0.158062|8.713172|0.139717|0.205781|13.717636|7.950156|6.861571|7.960277|13.719226|36.858105| |1.700998|1.909808|2.037704|0.056360|1.835796|2.406792|2.596424|0.081346|2.724982|0.066459|3.080826|0.080540|3.700902|0.068928|0.079998|4.081819|4.609473|6.699528|10.058932|6.702981|4.598299|2539.412838| |2.779875|3.217466|4.224979|0.125164|3.869725|5.133301|8.029704|0.198583|12.635627|0.255810|6.993380|0.162971|6.884095|0.119629|0.118756|5.911749|5.364332|4.157310|3.653795|3.801406|4.666444|94.034036|36.858105| |2.445334|2.747438|3.421298|0.102452|3.150723|3.984363|5.430488|0.144644|7.824313|0.183601|5.821349|0.148802|5.666255|0.102369|0.101044|5.493834|5.753765|4.535974|3.778520|3.693451|4.274590|98.364236|16.077100|73.516695| |2.728381|3.175960|4.235660|0.119378|4.244502|5.030857|8.252868|0.200976|8.308776|0.195996|5.133583|0.120658|5.941932|0.104214|0.106015|4.484218|3.986798|3.340383|3.112468|3.322953|3.963389|83.967775|13.680457|14.709274|53.358707| |3.159391|3.853179|5.467581|0.142705|5.739731|6.786095|12.557694|0.259865|8.066821|0.195137|5.176848|0.117912|6.801473|0.116786|0.121291|4.328350|3.605847|3.039515|2.935470|3.276886|4.028161|79.476033|8.089730|9.707706|18.338382|36.858105| |3.040329|3.651728|4.963284|0.124901|5.941258|5.584467|7.737698|0.183250|5.446955|0.142993|3.989261|0.094762|5.537335|0.098882|0.102629|3.463087|2.961332|2.584060|2.541165|2.829346|3.352019|71.238125|5.494993|7.445012|11.296799|16.170557|73.516695| |2.314672|2.608868|3.296304|0.092719|3.448079|3.693568|5.169483|0.136335|5.182391|0.133009|3.757425|0.093055|4.477173|0.081391|0.082781|3.492382|3.293102|2.911628|2.735494|2.840588|3.195424|77.372801|7.680114|11.732781|18.138243|7.627531|11.805090|36.858105| |2.023384|2.267094|2.754336|0.077142|2.806729|3.128622|4.182309|0.118630|4.271432|0.106751|3.372238|0.084246|3.962968|0.072186|0.075269|3.354319|3.292001|3.036071|2.869946|2.906911|3.132486|82.983138|6.181359|11.017523|10.648462|5.331825|8.499596|13.733692|36.858105| |1.794312|1.974189|2.339333|0.065494|2.422211|2.576056|3.243942|0.091383|3.285623|0.085216|2.716172|0.069574|3.277962|0.060936|0.062980|2.712547|2.707443|2.567254|2.449255|2.450628|2.573962|73.854209|4.333900|7.955348|7.013753|4.004436|6.839769|7.967455|13.805712|36.858105| |1.766540|1.917817|2.266382|0.063543|2.412227|2.417990|2.965766|0.081172|2.967761|0.079700|2.448616|0.063504|3.027672|0.057081|0.057921|2.379098|2.349576|2.208750|2.109853|2.128681|2.255891|64.079668|3.736438|6.657861|6.167404|3.726560|6.686899|6.865609|7.909291|13.688997|36.858105| |1.953091|2.115092|2.545573|0.071563|2.789119|2.657987|3.271663|0.086462|3.236003|0.089206|2.590017|0.067149|3.245692|0.061425|0.061261|2.431718|2.354076|2.162866|2.058073|2.106078|2.283660|61.473761|4.014083|6.821531|7.009582|4.317577|8.009096|7.968527|6.878647|7.951867|13.717107|36.858105| |2.262085|2.490068|3.113015|0.087779|3.432988|3.280540|4.244293|0.108381|4.169842|0.115185|3.141938|0.080128|3.908652|0.073061|0.072401|2.862721|2.709540|2.421642|2.288601|2.373965|2.646326|66.414581|5.355177|8.487964|10.653465|6.151447|11.139380|13.773325|7.919889|6.876419|7.904753|13.762370|36.858105| |1.558486|1.671340|1.929469|0.054027|2.049654|2.033490|2.406378|0.066319|2.407949|0.065194|2.058065|0.054053|2.576558|0.049126|0.049814|2.021063|2.016521|1.930644|1.857222|1.859164|1.936946|57.904315|2.902372|5.248219|4.544277|2.891917|5.247467|4.454581|5.058337|7.665582|12.678683|7.505698|5.006585|36.858105| |1.453429|1.559476|1.781165|0.049818|1.864654|1.893190|2.224079|0.062211|2.237189|0.059981|1.951072|0.051349|2.432873|0.046378|0.047417|1.951650|1.970329|1.918612|1.853707|1.837091|1.883594|58.782496|2.682142|4.937871|4.073744|2.600709|4.652970|3.837470|4.589813|6.874788|8.127436|5.285034|4.007724|15.947301|73.516695| |1.504443|1.593591|1.823774|0.051076|1.966958|1.880428|2.173379|0.059107|2.160916|0.059602|1.859754|0.049251|2.368028|0.045635|0.045763|1.801688|1.785813|1.702314|1.640457|1.651164|1.728301|51.320271|2.519470|4.488583|3.923440|2.593812|4.809969|3.655891|3.804116|4.937042|7.327381|6.365049|4.352320|12.586497|14.361314|36.858105| |4.266127|6.484095|7.272154|0.150692|5.713163|12.084766|7.426342|0.208848|5.089542|0.126604|5.197874|0.117247|10.451751|0.172383|0.240685|4.500461|3.391834|2.929555|3.039188|3.746199|4.898199|81.840065|3.904466|5.702188|5.420833|5.219541|8.537609|3.149280|2.784456|2.347827|2.201788|2.374424|2.828761|1.886105|3.153709|1.749369|36.858105| |3.981807|5.716808|6.332811|0.131072|6.036833|8.100758|6.188357|0.171514|4.261417|0.109474|4.059334|0.095118|7.216960|0.127956|0.155433|3.608912|2.868961|2.541381|2.642998|3.177094|3.900405|73.746023|3.509684|5.165718|5.163301|5.131559|9.264250|3.109112|2.731383|2.338866|2.227824|2.424133|2.868984|1.915667|3.185052|1.792395|15.778438|73.516695| |3.821246|5.438028|5.455984|0.125032|4.264895|8.069091|5.782642|0.176533|4.536006|0.111128|5.192566|0.118347|10.430998|0.173632|0.307976|4.876503|3.603780|3.161598|3.376168|4.336393|5.751387|89.891768|3.546020|5.375931|4.701443|4.169470|6.722423|2.795405|2.557289|2.174388|2.017178|2.132227|2.488961|1.748838|2.960346|1.616144|15.324768|15.120420|73.516695| |17.518047|8.751615|6.685889|0.211515|5.165683|4.641090|3.598023|0.086279|3.617652|0.114929|3.719136|0.107639|6.250357|0.157823|0.112144|2.929145|2.559480|2.180938|2.076943|2.254132|2.681762|58.804743|2.874981|4.546138|3.740675|3.089461|5.165435|2.326205|2.036759|1.803463|1.771141|1.954120|2.264445|1.561562|2.592030|1.504165|3.844203|6.213725|6.284638|0.500000| |17.578098|8.724517|6.663730|0.179368|6.432533|4.387600|3.458085|0.082959|3.249214|0.101358|3.147962|0.086869|5.229813|0.119847|0.096851|2.562213|2.239366|1.946202|1.884349|2.059409|2.418422|54.191716|2.678698|4.189251|3.666180|3.131947|5.505555|2.320609|2.011191|1.798175|1.793527|2.005056|2.316863|1.585566|2.612618|1.545064|3.846381|6.708348|5.979206|0.301905|0.500000| |17.563003|8.818985|5.428756|0.143714|4.583965|4.081456|3.131944|0.078065|2.974645|0.089343|3.086818|0.086080|5.294520|0.126181|0.102601|2.573923|2.241514|1.964259|1.920232|2.111728|2.469430|55.373339|2.436399|3.871691|3.250687|2.727087|4.704323|2.059854|1.830431|1.638269|1.611429|1.763526|2.011997|1.436087|2.395190|1.389475|3.822334|6.403049|6.346419|0.301892|0.302800|0.500000| |8.924740|17.506216|8.708916|0.201058|5.498744|7.269993|4.610319|0.114489|4.190984|0.120053|4.660984|0.122994|9.802352|0.247798|0.193257|3.707035|3.001833|2.552931|2.519700|2.885794|3.589889|69.502419|3.162193|4.866292|4.120167|3.570605|5.870492|2.483802|2.200447|1.911991|1.834712|1.992692|2.327462|1.604726|2.684513|1.519534|6.690783|9.552475|11.248058|0.211107|0.173226|0.216675|0.500000| |8.823749|17.579147|8.867963|0.175290|7.209580|6.543873|4.394211|0.108574|3.691326|0.106044|3.704310|0.095303|6.949905|0.149865|0.138288|3.066493|2.539028|2.213072|2.212430|2.528214|3.052386|62.591778|2.935935|4.474229|4.062196|3.681412|6.454738|2.497512|2.184759|1.918089|1.870610|2.059153|2.401616|1.639091|2.720816|1.568673|6.850010|11.932914|9.884021|0.172458|0.208855|0.212783|0.306692|0.500000| |4.673356|5.479832|8.724986|0.218859|17.616089|6.509888|6.363039|0.133404|5.223770|0.166470|4.049176|0.102393|6.168098|0.120351|0.107810|3.194434|2.733360|2.327731|2.238526|2.464004|2.965017|62.825155|4.407064|6.253597|6.918284|7.005437|13.176231|4.097492|3.190598|2.729339|2.749577|3.275107|4.188015|2.292356|3.656518|2.197770|4.871581|9.031551|6.695574|0.121754|0.140643|0.104134|0.122298|0.143044|0.500000| |5.007475|6.593099|8.801317|0.174398|17.643703|6.919832|5.703434|0.131478|4.272123|0.123413|3.676019|0.091134|6.105095|0.118047|0.114444|3.037416|2.543854|2.214817|2.197889|2.485811|2.983474|62.251254|3.569472|5.203443|5.479105|5.611834|11.176603|3.341825|2.763323|2.399017|2.385214|2.733479|3.315989|2.036721|3.303560|1.953831|6.351640|13.791872|8.048253|0.118603|0.148321|0.115525|0.140990|0.204059|0.302126|0.500000| |6.748140|7.161303|8.841876|0.209354|17.581982|5.450293|4.519906|0.103023|3.922398|0.123209|3.433774|0.090130|5.558565|0.116271|0.100557|2.764767|2.384773|2.061585|2.000599|2.203260|2.614361|57.067081|3.272241|4.909203|4.784026|4.403347|8.177023|2.982635|2.474680|2.184598|2.204658|2.544958|3.044603|1.906018|3.086430|1.856436|4.533316|8.499605|6.423233|0.157896|0.236742|0.142252|0.142172|0.192451|0.303870|0.300331|0.500000| |2.436179|2.720748|3.115609|0.093633|2.646914|3.669390|4.150582|0.117378|5.668702|0.136117|7.184835|0.219378|6.333059|0.118600|0.118024|8.885297|17.723076|8.987454|5.678973|4.962604|5.646482|130.614436|5.531486|11.313914|5.402767|3.491643|5.105996|3.313979|3.275921|2.715222|2.378986|2.397235|2.759091|2.041941|3.532972|1.814705|3.090157|4.719049|5.679285|0.072324|0.062533|0.061899|0.080395|0.068062|0.076022|0.068709|0.066221|0.500000| |1.919971|2.130332|2.340284|0.067348|2.068207|2.738247|3.037319|0.091153|3.547850|0.086426|4.127483|0.114068|4.414089|0.082932|0.089650|5.626413|8.926617|17.759783|8.910321|5.646092|4.949367|219.815089|3.679985|7.407047|4.085236|2.695708|4.137860|2.701391|2.858898|2.474328|2.134155|2.069041|2.278781|1.889004|3.365744|1.665873|2.525216|3.968959|4.778589|0.055644|0.049777|0.050099|0.063039|0.055223|0.058782|0.055489|0.052394|0.216623|0.500000| |2.118437|2.498837|2.665261|0.070976|2.342857|3.375299|3.562400|0.120203|3.454267|0.080951|4.050972|0.097638|5.205921|0.091863|0.121965|5.638532|4.965291|5.643408|8.930680|17.759352|8.920954|219.683664|3.262280|5.581910|4.054313|3.004005|4.742002|2.602057|2.673234|2.295943|2.009816|1.982556|2.209128|1.774097|3.128451|1.583050|3.615833|5.574866|7.564800|0.058537|0.054357|0.056092|0.075641|0.067725|0.064058|0.066213|0.058045|0.107743|0.124188|0.500000| |2.879038|3.643541|4.023344|0.103679|3.300293|5.864153|5.877752|0.213774|5.261144|0.116462|6.728435|0.142033|9.666495|0.149516|0.259772|8.826642|5.627101|4.947663|5.683081|9.004088|17.727686|130.767060|4.321142|6.750988|5.300855|4.230645|6.371995|3.121921|2.993531|2.477264|2.204232|2.258682|2.628311|1.894718|3.254875|1.705524|6.384493|8.561263|14.617130|0.078823|0.072258|0.074320|0.113042|0.096947|0.088263|0.092913|0.078674|0.123499|0.107491|0.218324|0.500000| |2.006332|2.267594|2.729041|0.076256|2.696779|3.192577|4.288702|0.127662|4.459268|0.106838|3.640003|0.089771|4.166330|0.074942|0.080020|3.805781|3.796573|3.558137|3.365729|3.368588|3.572277|95.895689|6.516717|12.236797|9.783994|5.044885|7.730784|8.915785|17.758396|8.928950|5.633571|4.958144|5.643557|4.124920|7.058121|3.198706|2.869620|4.907058|4.783208|0.056224|0.054715|0.050664|0.062096|0.060553|0.083234|0.073965|0.065859|0.102722|0.092310|0.084971|0.092526|0.500000| |1.650889|1.810090|2.107297|0.058902|2.155861|2.326500|2.863440|0.082124|2.912812|0.075190|2.495846|0.064352|3.013681|0.056227|0.058603|2.556055|2.596965|2.529727|2.431263|2.396348|2.455079|75.200714|3.728865|7.035651|5.679544|3.374551|5.757243|5.657479|8.930242|17.762860|8.949587|5.663955|4.957384|7.187271|13.862470|4.584274|2.156586|3.805378|3.608461|0.046123|0.045757|0.042215|0.049122|0.048978|0.066276|0.059575|0.054429|0.071954|0.068629|0.062790|0.065145|0.214711|0.500000| |1.892240|2.020042|2.400502|0.067502|2.675590|2.444032|2.907739|0.076222|2.861492|0.080485|2.334141|0.061191|2.977928|0.057072|0.056342|2.176593|2.105286|1.940171|1.851882|1.896970|2.052344|55.853932|3.389853|5.758288|5.698602|3.734292|7.122586|5.678337|4.957471|5.641311|8.875732|17.746937|8.993178|6.874040|8.564757|7.225929|2.199770|4.029099|3.510643|0.052478|0.054527|0.047600|0.052524|0.054868|0.087005|0.072834|0.069149|0.059718|0.051771|0.049915|0.056763|0.107655|0.124202|0.500000| 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