Version2.1
2021-01-12T21:00:28Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
06-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc(cc1)C(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4N2c5ccccc5C=C4)C(=O)N(C3=O)C6CCCCC6 C09010146
RHF
6-31G(d)
(6D,7F)
c1ccc(cc1)C(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4N2c5ccccc5C=C4)C(=O)N(C3=O)C6CCCCC6
C01[X(C27H26N2O3)]
168
C1
532
O=C1N(C2CCCCC2)C(=O)[C@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
O=C1N(C2CCCCC2)C(=O)[C@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
O=C1[C@@H]2[C@H]3C=Cc4ccccc4N3[C@@H]([C@H]2C(=O)N1C5CCCCC5)C(=O)c6ccccc6
InChIKey=MBELFISBIZJRMZ-LWSSLDFYSA-N
InChI=1S/C27H26N2O3/c30-25(18-10-3-1-4-11-18)24-23-22(21-16-15-17-9-7-8-14-20(17)29(21)24)26(31)28(27(23)32)19-12-5-2-6-13-19/h1,3-4,7-11,14-16,19,21-24H,2,5-6,12-13H2/t21-,22-,23+,24+/m1/s1
InChI=1/C27H26N2O3/c30-25(18-10-3-1-4-11-18)24-23-22(21-16-15-17-9-7-8-14-20(17)29(21)24)26(31)28(27(23)32)19-12-5-2-6-13-19/h1,3-4,7-11,14-16,19,21-24H,2,5-6,12-13H2/t21-,22-,23+,24+/m1/s1
c1ccc(cc1)C(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4N2c5ccccc5C=C4)C(=O)N(C3=O)C6CCCCC6
C01[X(C27H26N2O3)]
168
C01
532
O=C1N(C2CCCCC2)C(=O)[C@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
O=C1N(C2CCCCC2)C(=O)[C@H]2[C@H]1[C@H]1C=C[C]3[C]([CH][CH][CH][CH]3)[N@]1[C@@H]2C(=O)[C]1[CH][CH][CH][CH][CH]1
O=C([C]1[CH][CH][CH][CH][CH]1)[C@@H]2[C@@H]3[C@@H]([C@H]4C=C[C]5[CH][CH][CH][CH][C]5N24)C(=O)N(C6CCCCC6)C3=O
InChIKey=MBELFISBIZJRMZ-LWSSLDFYSA-N
InChI=1S/C27H26N2O3/c30-25(18-10-3-1-4-11-18)24-23-22(21-16-15-17-9-7-8-14-20(17)29(21)24)26(31)28(27(23)32)19-12-5-2-6-13-19/h1,3-4,7-11,14-16,19,21-24H,2,5-6,12-13H2/t21-,22-,23+,24+/m1/s1
InChI=1/C27H26N2O3/c30-25(18-10-3-1-4-11-18)24-23-22(21-16-15-17-9-7-8-14-20(17)29(21)24)26(31)28(27(23)32)19-12-5-2-6-13-19/h1,3-4,7-11,14-16,19,21-24H,2,5-6,12-13H2/t21-,22-,23+,24+/m1/s1
3168.3686700147
-1371.1008119
1-A
15579.3665
113
419
532
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9.75629
-0.1302 1.0755 -2.4420
2.6716
|XX|YY|ZZ|XY|XZ|YZ|
-177.6384 -177.4422 -193.1512 3.0109 -4.1799 1.6280
|XX|YY|ZZ|XY|XZ|YZ|
5.1055 5.3018 -10.4073 3.0109 -4.1799 1.6280
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-29.3307 22.9257 -1.6717 86.9676 47.0069 -24.1392 -28.8098 13.3007 -18.1366 -2.9119
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-13363.9955 -5882.8906 -1080.1251 -6.6551 -34.0467 166.3947 -59.8469 8.8514 -37.5075 -3197.5733 -2545.2518 -1264.9142 133.6242 -11.8586 47.3133
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168
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22.1958 24.6308 33.5500 39.6412 51.0089 57.9463 65.0826 80.4665 111.0776 124.5100 149.8978 157.5878 171.6658 183.5878 198.3514 205.2866 238.7091 242.3782 261.6879 280.7537 309.4665 322.5734 349.4790 361.8408 399.4685 430.3225 443.2443 453.1562 463.0954 479.1975 485.1545 500.8036 506.4395 511.2125 537.0966 545.3676 558.3133 599.4709 606.4414 656.8602 673.3519 675.7069 689.6976 727.4942 739.5623 762.7289 774.3880 790.2543 809.4473 821.6455 834.6916 842.5070 853.9474 867.9983 878.2173 881.8321 894.6445 909.8260 914.2571 934.6178 961.1245 963.8674 969.2573 971.0633 992.6250 1013.0325 1046.4251 1060.9745 1065.7695 1078.9700 1089.4637 1091.6187 1093.7683 1102.5597 1114.6046 1114.9142 1123.9505 1130.9357 1134.2999 1137.3459 1148.4059 1154.5028 1161.1438 1175.6392 1189.5718 1196.9863 1203.7037 1213.0810 1216.7328 1231.4572 1246.6848 1271.9141 1281.6455 1293.6210 1300.8649 1306.7434 1317.6406 1325.5780 1328.9817 1331.6320 1339.4371 1348.9918 1353.1917 1397.6041 1401.1200 1405.1659 1413.7473 1418.5092 1425.8907 1463.8026 1467.7802 1476.5202 1480.4516 1499.7220 1504.4616 1510.7727 1524.6092 1526.3510 1529.7285 1531.4736 1537.5465 1549.2252 1574.3919 1581.3044 1591.4994 1613.0768 1625.6899 1633.9159 1635.9568 1645.1510 1646.1502 1663.5144 1665.0155 1670.4390 1772.8633 1781.1109 1802.8404 1806.1987 1891.3183 1987.6845 1990.5460 2050.6657 3167.8158 3186.2684 3188.3112 3190.1272 3192.7738 3208.5198 3213.4882 3216.1056 3236.4536 3237.4882 3241.2841 3253.3613 3262.9827 3268.8528 3290.7961 3350.8056 3356.4322 3362.3765 3364.2944 3376.9577 3379.9220 3387.0423 3388.3335 3402.3956 3409.7407 3412.9034
5.2940 5.5063 3.8364 4.2656 4.1869 4.6355 4.5484 7.2545 4.8813 8.6640 4.7771 6.8776 4.6322 4.9789 4.7358 5.3318 4.6626 1.8129 4.5250 6.0230 8.0422 4.9948 5.6691 1.8351 5.3747 4.9264 4.1209 2.9103 4.0296 3.0489 3.5981 3.3680 4.1651 5.3282 3.1503 2.4896 5.8474 3.7000 5.2023 4.7055 5.0784 6.4230 5.5447 6.4236 4.3440 2.3366 4.4259 3.0403 2.9502 2.1785 3.4930 1.4573 3.9245 1.4359 2.4759 2.6059 3.0909 2.5285 4.1103 4.0570 1.2848 1.5034 1.8870 1.9670 3.3198 1.3864 3.2483 1.4635 1.9277 2.7054 4.5504 3.1884 3.8990 1.3231 1.4103 1.8394 1.5911 2.3722 1.9988 1.5016 1.4492 3.0083 2.4284 1.2660 1.7826 3.5470 1.9371 2.4412 3.1615 1.9823 1.8338 1.8406 2.1673 1.7509 2.0600 1.1707 1.9663 1.4448 1.6408 2.1839 2.2770 1.6899 1.6817 1.7225 1.3206 1.2548 1.3495 1.3523 1.7639 2.0541 1.2886 1.4770 2.0788 1.5005 1.3925 1.3896 1.6494 1.4392 1.5264 1.8289 1.4911 1.8513 1.4522 1.7961 1.8642 2.1561 2.3717 1.0890 1.0939 1.1039 1.0974 1.1108 2.6054 2.1345 5.6487 5.0170 5.4653 5.0267 7.0646 12.3891 12.6961 12.7231 1.0842 1.0688 1.0731 1.0837 1.0626 1.0837 1.0669 1.0689 1.0959 1.0944 1.1008 1.0864 1.0956 1.0998 1.0911 1.0886 1.0874 1.0877 1.0905 1.0919 1.0993 1.0963 1.0961 1.0937 1.0944 1.0943
0.0015 0.0020 0.0025 0.0039 0.0064 0.0092 0.0114 0.0277 0.0355 0.0791 0.0632 0.1006 0.0804 0.0989 0.1098 0.1324 0.1565 0.0627 0.1826 0.2797 0.4538 0.3062 0.4080 0.1416 0.5053 0.5375 0.4770 0.3521 0.5092 0.4125 0.4990 0.4977 0.6294 0.8204 0.5354 0.4363 1.0739 0.7834 1.1273 1.1962 1.3566 1.7278 1.5540 2.0030 1.3999 0.8009 1.5638 1.1187 1.1389 0.8665 1.4339 0.6095 1.6862 0.6374 1.1251 1.1939 1.4576 1.2332 2.0242 2.0880 0.6993 0.8229 1.0445 1.0928 1.9272 0.8383 2.0957 0.9706 1.2901 1.8557 3.1822 2.2386 2.7482 0.9477 1.0323 1.3471 1.1842 1.7877 1.5152 1.1444 1.1261 2.3624 1.9291 1.0309 1.4862 2.9943 1.6536 2.1166 2.7576 1.7712 1.6793 1.7543 2.0975 1.7264 2.0539 1.1778 2.0113 1.4958 1.7074 2.2816 2.4069 1.8118 1.8143 1.9824 1.5275 1.4598 1.5892 1.6032 2.1130 2.5932 1.6356 1.8972 2.6844 1.9884 1.8570 1.8687 2.2589 1.9756 2.1045 2.5273 2.0769 2.6179 2.1208 2.6462 2.7820 3.3054 3.6931 1.7130 1.7250 1.7603 1.7521 1.8111 4.2556 3.5092 10.4603 9.3772 10.4659 9.6620 14.8891 28.8394 29.6392 31.5234 6.4101 6.3932 6.4271 6.4977 6.3821 6.5728 6.4910 6.5141 6.7632 6.7587 6.8137 6.7748 6.8728 6.9238 6.9618 7.2014 7.2178 7.2451 7.2725 7.3362 7.3990 7.4098 7.4146 7.4596 7.4966 7.5100
0.5120 0.4766 0.2158 0.5487 1.2586 0.3240 0.3773 0.0817 0.5118 5.6114 0.7531 3.5990 2.6392 1.0266 5.2744 2.4707 5.0575 0.0832 0.4999 8.7315 15.8042 3.6351 3.5022 0.1745 1.3688 6.1043 0.7090 0.7367 3.8014 10.0596 1.1654 5.7155 10.4524 0.1423 2.6266 0.6644 3.2526 5.3183 9.5774 2.8189 19.4914 0.2927 28.2952 30.7215 3.5499 22.0320 12.9946 27.3668 14.3735 27.1507 11.1381 42.6170 17.6924 0.1197 29.8136 23.3776 7.5485 6.9838 11.8501 15.6284 0.6726 0.6329 11.9107 10.3565 1.8948 0.7248 3.6396 4.1808 9.4877 10.5910 37.0287 4.6350 53.6738 0.3614 1.4224 4.6968 1.4548 3.9865 7.1416 7.4228 0.9638 18.7125 14.4726 0.1081 0.3728 37.9795 0.8739 78.8333 10.6266 6.5031 7.6238 7.1968 16.1802 6.9379 11.5997 9.5354 44.7441 2.8053 8.9644 92.2206 86.5534 10.3499 9.0102 45.1932 18.9612 1.7254 89.2505 26.1856 17.6410 56.4569 0.3843 87.2990 287.9504 88.5867 0.9159 23.1762 149.3708 0.2538 4.9579 6.0687 0.7036 60.7262 12.7749 31.5677 82.4729 19.9605 43.1645 0.1326 2.3839 2.2005 5.3316 5.6449 115.3897 2.4347 17.3068 7.2101 57.6406 24.9674 29.6012 114.1795 822.8591 73.5536 39.3717 12.4665 35.9814 8.3596 31.2764 8.5818 41.2555 39.0426 88.6461 81.2698 34.5092 19.7291 27.0767 2.9787 31.9645 1.7589 12.8219 1.0202 15.4415 17.3337 20.7766 47.2908 32.2285 13.0451 6.2725 2.4201
3.4877 3.7109 0.4270 11.9557 1.2858 2.3177 1.3695 1.2851 1.5714 0.5171 2.3231 0.4723 1.6527 3.3897 0.8614 4.2631 2.2692 0.0233 1.1815 0.6758 1.6122 1.0564 1.2415 0.1584 1.4162 0.8093 3.3919 0.2104 0.6694 1.2387 1.3372 1.6459 1.3341 2.1314 4.2192 1.0792 2.8633 0.6048 2.7329 2.3825 3.0040 6.7156 2.8319 7.1650 3.9314 1.1368 4.1369 4.9672 3.8753 1.9870 9.5039 2.3001 3.5943 1.6990 8.2245 8.8312 5.9401 2.0929 4.2986 7.3720 3.8440 2.4611 3.3633 3.3891 2.8891 0.3254 2.4593 1.7208 3.9129 7.5014 9.8770 34.7881 8.1574 0.3204 1.1603 9.9143 6.6844 5.2205 15.3350 6.1870 7.9962 8.2085 15.5978 0.3394 0.4297 4.7202 1.2737 9.4469 4.1322 11.0630 14.9561 3.2391 3.4790 9.2714 3.7026 3.1257 6.8891 3.8683 10.1995 8.3694 25.1039 4.3097 50.0637 18.4324 19.7788 7.1925 5.4894 7.3633 8.2990 45.4227 6.3137 2.3138 3.1012 4.8185 3.3300 2.5586 7.8462 0.4787 3.2484 4.7334 6.8190 10.6195 15.0235 7.4914 8.5511 2.3073 2.0784 26.8406 20.0314 0.4564 0.9916 1.6721 25.8369 1.9070 45.8150 6.8287 71.1845 95.5417 175.2290 27.9837 6.3568 19.5496 109.6500 24.2143 128.9123 32.7834 38.2583 17.7933 49.8873 75.2531 65.5178 211.5125 151.9470 20.1776 49.5419 32.6244 6.4727 13.2553 85.2537 59.1086 126.8060 119.7149 140.5044 193.7209 179.9295 178.4698 62.1830 127.2520
0.7430 0.7499 0.7480 0.7480 0.7272 0.7463 0.7341 0.7058 0.7469 0.6748 0.7427 0.7499 0.7472 0.7419 0.4434 0.1326 0.4714 0.4842 0.5534 0.4281 0.6066 0.4397 0.4291 0.2125 0.7493 0.4489 0.5926 0.6581 0.7438 0.1728 0.7470 0.7493 0.3634 0.2661 0.7413 0.6176 0.5578 0.7497 0.4388 0.3744 0.4705 0.7415 0.1034 0.0879 0.3867 0.5633 0.4034 0.2391 0.2582 0.1606 0.2035 0.3214 0.0929 0.7369 0.1001 0.3785 0.1009 0.5598 0.4257 0.7499 0.5606 0.4621 0.2374 0.3242 0.3987 0.7495 0.6011 0.6035 0.1472 0.3120 0.2904 0.0838 0.7403 0.6691 0.5490 0.6606 0.6698 0.7497 0.0529 0.0732 0.7500 0.1104 0.1631 0.7488 0.6445 0.1644 0.7403 0.6157 0.6961 0.5819 0.5085 0.5302 0.6560 0.2691 0.7418 0.3734 0.2707 0.6914 0.3622 0.7354 0.1316 0.3707 0.3381 0.6137 0.7464 0.7485 0.5421 0.6836 0.2333 0.2315 0.7402 0.2971 0.4312 0.1818 0.7433 0.1953 0.7239 0.7499 0.6969 0.5071 0.7499 0.3475 0.6363 0.7184 0.7417 0.4094 0.1934 0.7500 0.7385 0.7454 0.2066 0.5965 0.1765 0.1201 0.3467 0.7441 0.7474 0.4904 0.2572 0.2660 0.2500 0.4980 0.2463 0.6687 0.2145 0.2828 0.4466 0.1765 0.7166 0.1332 0.7204 0.1916 0.3593 0.2490 0.3103 0.6202 0.0103 0.4444 0.5754 0.7500 0.7454 0.7088 0.2378 0.2693 0.1263 0.1539 0.1803 0.1347
0.8526 0.8571 0.8558 0.8558 0.8421 0.8547 0.8466 0.8275 0.8551 0.8058 0.8523 0.8571 0.8553 0.8519 0.6144 0.2342 0.6407 0.6524 0.7125 0.5995 0.7551 0.6108 0.6005 0.3506 0.8567 0.6196 0.7442 0.7938 0.8531 0.2947 0.8552 0.8567 0.5331 0.4204 0.8514 0.7636 0.7161 0.8570 0.6099 0.5449 0.6399 0.8516 0.1874 0.1615 0.5577 0.7207 0.5749 0.3859 0.4104 0.2767 0.3382 0.4864 0.1701 0.8486 0.1820 0.5492 0.1832 0.7178 0.5972 0.8571 0.7185 0.6321 0.3837 0.4896 0.5701 0.8568 0.7508 0.7527 0.2566 0.4756 0.4501 0.1546 0.8508 0.8018 0.7088 0.7956 0.8023 0.8570 0.1006 0.1364 0.8571 0.1988 0.2805 0.8564 0.7838 0.2824 0.8508 0.7621 0.8208 0.7357 0.6742 0.6930 0.7923 0.4241 0.8518 0.5438 0.4261 0.8176 0.5318 0.8475 0.2326 0.5409 0.5054 0.7606 0.8548 0.8562 0.7030 0.8121 0.3783 0.3760 0.8507 0.4581 0.6025 0.3076 0.8527 0.3268 0.8399 0.8571 0.8214 0.6730 0.8571 0.5158 0.7777 0.8361 0.8517 0.5809 0.3241 0.8571 0.8496 0.8541 0.3424 0.7472 0.3000 0.2144 0.5149 0.8533 0.8554 0.6581 0.4091 0.4202 0.4000 0.6649 0.3952 0.8015 0.3533 0.4409 0.6174 0.3000 0.8349 0.2350 0.8375 0.3215 0.5287 0.3987 0.4737 0.7656 0.0203 0.6153 0.7305 0.8571 0.8542 0.8296 0.3842 0.4243 0.2244 0.2668 0.3056 0.2374
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 6 6 6 6 8 6 1 6 1 6 1 6 1 7 6 6 6 6 6 6 6 6 6 8 7 6 8 6 6 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 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 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
9599.7222 19147.2837 26470.0527
1.00000 -0.00127 -0.00018 0.00127 1.00000 0.00032 0.00018 -0.00032 1.00000
1
0.00902 0.00452 0.00327
0.18800 0.09426 0.06818
31.93 35.44 48.27 57.03 73.39 83.37 93.64 115.77 159.82 179.14 215.67 226.73 246.99 264.14 285.38 295.36 343.45 348.73 376.51 403.94 445.25 464.11 502.82 520.61 574.75 619.14 637.73 651.99 666.29 689.46 698.03 720.54 728.65 735.52 772.76 784.66 803.29 862.50 872.53 945.08 968.80 972.19 992.32 1046.70 1064.07 1097.40 1114.17 1137.00 1164.61 1182.16 1200.93 1212.18 1228.64 1248.86 1263.56 1268.76 1287.19 1309.04 1315.41 1344.71 1382.84 1386.79 1394.55 1397.14 1428.17 1457.53 1505.57 1526.51 1533.40 1552.40 1567.50 1570.60 1573.69 1586.34 1603.67 1604.11 1617.11 1627.16 1632.00 1636.39 1652.30 1661.07 1670.63 1691.48 1711.53 1722.20 1731.86 1745.35 1750.61 1771.79 1793.70 1830.00 1844.00 1861.23 1871.65 1880.11 1895.79 1907.21 1912.11 1915.92 1927.15 1940.90 1946.94 2010.84 2015.90 2021.72 2034.07 2040.92 2051.54 2106.09 2111.81 2124.38 2130.04 2157.77 2164.58 2173.66 2193.57 2196.08 2200.94 2203.45 2212.19 2228.99 2265.20 2275.14 2289.81 2320.86 2339.01 2350.84 2353.78 2367.01 2368.44 2393.43 2395.59 2403.39 2550.75 2562.62 2593.89 2598.72 2721.19 2859.83 2863.95 2950.45 4557.78 4584.33 4587.27 4589.88 4593.69 4616.34 4623.49 4627.26 4656.53 4658.02 4663.48 4680.86 4694.70 4703.15 4734.72 4821.06 4829.16 4837.71 4840.47 4858.69 4862.95 4873.20 4875.06 4895.29 4905.86 4910.41
0.516985
0.541108
0.542052
0.460687
-1370.583827
-1370.559704
-1370.558760
-1370.640125
2.728995D-04
MUNgauss
RevisionA2.0
retrievium
12-Jan-2021
DUDE c1ccc(cc1)C(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4N2c5ccccc5C=C4)C(=O)N(C3=O)C6CCCCC6 C09010146
RHF
6-31G(d)
(6D,10F)
C1
426.194343
|X|Y|Z|
100.366355 68.606386 28.268341
57.954123
29
|36.858105|
|13.721380|36.858105|
|7.948929|13.797242|36.858105|
|6.858195|7.910995|13.661596|36.858105|
|7.937976|6.863028|7.921476|13.694890|36.858105|
|13.766079|7.929435|6.875129|7.916253|13.743415|36.858105|
|4.458550|5.073862|7.703239|12.732529|7.506306|5.013372|36.858105|
|3.835484|4.574384|6.824001|8.118114|5.307974|4.021762|15.967219|73.516695|
|3.625454|3.792709|4.928733|7.234549|6.220838|4.290474|12.356072|14.352001|36.858105|
|3.817865|3.813175|4.720076|6.975782|6.978006|4.734798|8.734227|10.510657|17.578214|0.500000|
|3.149524|3.219150|3.967043|5.366916|5.048872|3.721049|7.573321|11.089121|12.438515|0.241618|36.858105|
|3.078018|3.238591|4.052277|5.231828|4.615847|3.506246|7.599794|12.791696|8.967545|0.175003|17.508641|0.500000|
|2.563025|2.616031|3.116285|3.904984|3.727987|2.945871|5.165827|8.360637|7.958697|0.181747|12.603004|0.251053|36.858105|
|2.516875|2.519541|2.940689|3.684347|3.669246|2.931393|4.600470|7.187697|7.195900|0.191929|8.945164|0.175781|17.491583|0.500000|
|2.486497|2.621220|3.186671|3.859953|3.458528|2.764248|5.400352|9.480356|7.744350|0.165971|8.140932|0.205699|12.534033|0.250445|36.858105|
|2.432972|2.611664|3.200416|3.765131|3.276450|2.651291|5.321097|10.303191|6.520665|0.137200|7.220481|0.220948|8.876356|0.175177|17.487947|0.500000|
|2.942147|3.135390|3.949147|5.008615|4.307562|3.301838|7.635971|12.158575|13.011320|0.252129|8.262319|0.193839|8.408253|0.209922|12.888879|0.250184|53.358707|
|2.808507|3.007655|3.696778|4.409390|3.837634|3.076919|5.888628|9.692259|7.650009|0.195535|5.241409|0.129385|5.457887|0.152766|7.553516|0.167499|18.698152|36.858105|
|3.174762|3.439814|4.224813|4.898708|4.205092|3.421677|5.920784|9.398446|6.506991|0.185134|4.358147|0.109612|4.152874|0.117638|5.013352|0.121900|10.670095|13.694925|36.858105|
|2.798296|3.007238|3.490478|3.779753|3.384264|2.932236|4.198972|6.996587|4.427358|0.128424|3.324334|0.085345|3.275696|0.094165|3.860724|0.096442|7.019955|7.892590|13.729357|36.858105|
|2.331479|2.478108|2.822237|3.036072|2.775010|2.441550|3.415347|5.869249|3.714677|0.105583|2.975363|0.076899|3.087117|0.089446|3.703793|0.092382|6.182413|6.785354|7.905619|13.797253|36.858105|
|2.176182|2.302609|2.649272|2.911541|2.664857|2.309211|3.413705|5.942863|3.903571|0.107741|3.220230|0.082936|3.530684|0.102563|4.454171|0.108241|7.056009|7.891852|6.907097|8.010780|13.745052|36.858105|
|2.332757|2.472059|2.919398|3.326628|3.004413|2.519340|4.146974|7.183693|5.094184|0.134727|4.123190|0.104431|4.714180|0.135520|6.582301|0.148780|10.749569|13.538512|7.920450|6.877037|7.879669|13.763302|36.858105|
|2.086287|2.189433|2.555875|2.912817|2.678827|2.262667|3.630450|6.409292|4.539809|0.116897|4.134120|0.105795|5.276353|0.150050|7.725856|0.169887|9.277984|7.703395|5.092703|4.498130|5.059960|7.659799|12.991767|36.858105|
|2.131946|2.231415|2.626795|3.049886|2.805714|2.335920|3.915886|6.950680|5.092973|0.124547|5.096662|0.130856|7.431362|0.194560|12.719221|0.249224|10.450526|6.685591|4.493832|3.767062|3.922800|5.158586|7.809109|14.433872|36.858105|
|2.297413|2.316768|2.679157|3.240764|3.183714|2.619923|3.977066|6.669968|5.183851|0.127113|8.157970|0.203504|12.632486|0.255076|6.884008|0.175421|6.930455|3.819069|3.129117|2.601238|2.491423|2.803092|3.502211|3.993109|5.353889|36.858105|
|2.015840|2.041244|2.327929|2.723458|2.660761|2.254405|3.266429|5.666390|4.012035|0.100271|5.502131|0.148874|7.789980|0.180327|5.684038|0.153372|5.658023|3.312859|2.736308|2.342303|2.294637|2.605949|3.189327|3.773572|5.051136|16.035534|73.516695|
|2.499587|2.464577|2.812160|3.458590|3.552069|2.918657|4.037862|6.520386|5.079434|0.129919|8.317693|0.201535|8.304920|0.199521|5.099741|0.132748|6.007409|3.397730|2.936140|2.446166|2.293289|2.496393|3.023362|3.248535|4.012712|13.625055|14.692342|53.358707|
|3.053678|2.980269|3.464888|4.535624|4.797754|3.708892|5.288668|7.918787|6.896838|0.177406|12.642299|0.255568|8.154735|0.201133|5.239176|0.133845|6.967742|3.828276|3.390886|2.740787|2.487594|2.648784|3.217175|3.274989|3.904939|8.182169|9.784311|18.580385|36.858105|
|3.379991|3.167983|3.563431|4.670883|5.434444|4.277213|4.866504|7.139023|5.724048|0.161111|7.777721|0.179108|5.505900|0.147939|4.049453|0.105024|5.714509|3.351862|3.126569|2.575046|2.311990|2.401404|2.825474|2.801948|3.197228|5.507463|7.447422|11.273095|16.023466|73.516695|
|2.251481|2.188869|2.419960|2.870209|3.012671|2.599382|3.166185|5.211908|3.700096|0.098417|5.143237|0.134867|5.120978|0.133945|3.692264|0.098890|4.482539|2.697537|2.406485|2.068681|1.957604|2.106439|2.466257|2.641806|3.141218|7.481089|11.456087|17.630567|7.599673|11.738023|36.858105|
|1.991075|1.925002|2.099457|2.452834|2.591648|2.283310|2.675740|4.414328|3.161439|0.086793|4.059829|0.103537|4.414194|0.125006|3.302337|0.086254|3.998602|2.494480|2.225662|1.952823|1.879770|2.035228|2.351152|2.556891|2.992962|6.098168|10.529617|10.418887|5.315199|8.593982|12.435839|36.858105|
|1.808473|1.738841|1.861798|2.125524|2.255042|2.046641|2.258697|3.769402|2.561191|0.070717|3.132629|0.082518|3.272612|0.091881|2.620330|0.069897|3.248412|2.081727|1.897958|1.694544|1.635402|1.749780|1.977287|2.124585|2.421423|4.169715|7.487353|6.765181|3.934359|6.824318|7.565748|12.431354|36.858105|
|1.707148|1.661032|1.779846|2.001056|2.081912|1.899280|2.135553|3.640222|2.359824|0.063782|2.885837|0.079100|2.986595|0.080770|2.464960|0.067641|3.022595|1.936592|1.766275|1.581428|1.529734|1.637090|1.845422|1.990243|2.276516|3.838780|7.197812|5.988324|3.495313|5.983747|6.464074|7.522726|12.441805|36.858105|
|1.863631|1.822642|1.964036|2.210702|2.283548|2.070778|2.363477|4.053899|2.563122|0.068067|3.211401|0.090819|3.184233|0.083157|2.618630|0.073340|3.220078|2.029440|1.854546|1.642658|1.572336|1.675238|1.901730|2.032034|2.342929|4.129340|7.486047|6.767196|3.964093|6.800602|7.563665|6.435781|7.540512|12.441821|36.858105|
|2.066026|2.041427|2.250495|2.587415|2.635752|2.317441|2.856261|4.894945|3.165349|0.082013|4.237187|0.121690|4.203341|0.105251|3.298887|0.093022|3.945988|2.405614|2.156310|1.874284|1.785332|1.919976|2.226475|2.399338|2.847638|5.973125|10.524054|10.428264|5.390757|8.548848|12.432848|7.504933|6.436349|7.522248|12.431933|36.858105|
|17.714125|8.907145|5.652110|4.944058|5.646613|8.924539|3.562087|5.626156|3.021327|0.088458|2.693666|0.073277|2.251958|0.061826|2.183288|0.059432|3.443704|2.444554|2.743296|2.488971|2.110289|1.966433|2.079247|1.874976|1.907032|2.052504|3.242576|3.035352|2.659708|5.240095|2.049433|1.835002|1.690621|1.599772|1.736471|1.894567|0.500000|
|8.899791|17.721571|8.935199|5.633367|4.947151|5.641855|4.137077|7.028763|3.196981|0.088350|2.772411|0.078402|2.317039|0.061931|2.350862|0.065703|3.751386|2.687613|3.061217|2.763574|2.312784|2.139472|2.261792|2.012860|2.037771|2.077507|3.303016|2.976279|2.575130|4.810954|1.967452|1.745642|1.592868|1.534015|1.678768|1.861383|0.214693|0.500000|
|5.644939|8.909148|17.750654|8.938538|5.650460|4.955870|7.231237|13.643417|4.606003|0.117263|3.750485|0.109920|3.028256|0.078192|3.213918|0.091982|5.360675|3.733239|4.228152|3.530704|2.880036|2.709252|2.976688|2.602285|2.663822|2.603591|4.074795|3.629227|3.190418|5.650785|2.293198|1.996160|1.772872|1.712841|1.890869|2.170448|0.124086|0.214562|0.500000|
|5.663837|4.950689|5.627580|8.860532|17.757338|8.972906|6.855626|8.626469|6.942646|0.237323|5.906306|0.139384|4.261365|0.119576|3.734242|0.095575|6.246026|3.959704|4.147709|3.315209|2.773010|2.719065|3.116048|2.826286|3.003538|3.619438|5.249863|5.674124|5.974705|12.714910|3.468836|2.971894|2.534846|2.291498|2.499174|2.915026|0.124575|0.107491|0.124008|0.500000|
|8.913624|5.640136|4.953879|5.639397|8.928941|17.725749|4.081019|5.965704|3.757858|0.117442|3.393181|0.087635|2.759941|0.077636|2.541644|0.067199|4.033491|2.775871|3.036629|2.659898|2.259122|2.147914|2.326350|2.116367|2.184407|2.505226|3.855331|3.849726|3.540507|7.479377|2.580285|2.298618|2.083402|1.913446|2.067678|2.277767|0.214982|0.124036|0.107588|0.217209|0.500000|
|3.862389|4.251149|5.437087|6.510015|5.312826|4.180297|7.460057|10.894999|7.231402|0.211941|4.575316|0.115564|4.029983|0.112381|4.578001|0.114726|9.640736|8.865880|17.759667|8.983392|5.657737|4.973571|5.621741|4.126332|3.886603|3.087658|4.735413|4.080256|3.587415|6.028881|2.461734|2.239216|1.918301|1.786002|1.894751|2.201958|0.090009|0.101827|0.146210|0.139034|0.099527|0.500000|
|2.927020|3.149292|3.550847|3.700948|3.351133|3.000563|3.858767|6.411658|3.866244|0.113898|2.965215|0.076887|2.851921|0.081713|3.238650|0.082716|5.694548|5.639127|8.959450|17.712011|8.925958|5.671123|4.953810|3.587385|3.119732|2.328335|3.740925|3.040810|2.514792|4.293178|1.919946|1.812075|1.591566|1.487977|1.547334|1.747355|0.072945|0.081303|0.099130|0.089111|0.075546|0.218835|0.500000|
|2.144485|2.268048|2.522876|2.655049|2.460666|2.218698|2.898789|5.019415|3.083301|0.088043|2.550072|0.066541|2.637545|0.076387|3.077916|0.078278|4.921632|4.907353|5.626063|8.898140|17.730384|8.890898|5.620292|4.116343|3.283535|2.192489|3.634764|2.770824|2.187974|3.657926|1.768368|1.711475|1.507059|1.413633|1.446511|1.623931|0.054681|0.059624|0.071550|0.067972|0.057558|0.124413|0.214034|0.500000|
|1.938230|2.038378|2.308566|2.507581|2.325616|2.047217|2.893472|5.094095|3.275931|0.090239|2.833404|0.073720|3.164069|0.091999|3.902275|0.096734|5.721899|5.631631|4.968141|5.674935|8.918170|17.695983|8.977766|7.099293|4.765489|2.599846|4.397773|3.133898|2.389625|3.860683|1.974030|1.933770|1.675615|1.573170|1.596274|1.814041|0.049179|0.053103|0.065642|0.066128|0.053443|0.107846|0.124366|0.214424|0.500000|
|1.876128|1.958735|2.244116|2.508013|2.338676|2.018478|3.015490|5.351739|3.623510|0.095709|3.390224|0.087981|4.227272|0.121949|5.524417|0.131426|6.703343|5.557173|4.158168|3.942418|4.671179|7.062253|8.723027|17.702543|9.152793|3.450382|6.016196|3.877385|2.818670|4.367599|2.392070|2.365429|1.996905|1.876995|1.892476|2.196272|0.047366|0.050534|0.063504|0.068265|0.052948|0.095654|0.089795|0.111175|0.216306|0.500000|
|1.940498|2.017480|2.337577|2.677494|2.501873|2.118785|3.332880|5.966335|4.165693|0.103748|4.470428|0.117853|6.568482|0.171027|8.677017|0.205578|7.524492|4.854864|3.585166|3.117898|3.271387|4.158312|5.555221|9.085755|17.710597|5.518781|10.205984|5.417573|3.654898|5.332785|3.200741|3.118369|2.522635|2.393763|2.433791|2.954103|0.048667|0.051549|0.065775|0.074539|0.055605|0.088828|0.073843|0.078753|0.112392|0.217801|0.500000|
|2.418310|2.308126|2.517654|2.998089|3.249086|2.834224|3.188398|5.153719|3.636496|0.099048|4.872364|0.126717|4.466277|0.119669|3.328704|0.088981|4.243979|2.586744|2.364205|2.035135|1.903455|2.015436|2.332412|2.435159|2.822226|5.680394|8.557344|12.791112|7.687439|14.256786|17.613819|8.928922|6.911757|5.748864|6.901619|8.912069|0.061268|0.057280|0.065238|0.105252|0.079331|0.068276|0.053022|0.047919|0.052205|0.061276|0.078201|0.500000|
|2.063591|1.973842|2.144846|2.530865|2.726170|2.398229|2.734505|4.424160|3.301362|0.093540|4.125769|0.100904|4.492685|0.135694|3.332470|0.084583|4.141169|2.608994|2.339146|2.053381|1.971954|2.128122|2.452727|2.639460|3.041854|5.673712|9.234242|9.585575|5.434350|9.047070|8.854446|17.533547|8.804911|5.484232|4.838730|5.488175|0.052806|0.049461|0.056141|0.088482|0.067744|0.065335|0.052923|0.049812|0.055980|0.067735|0.086517|0.216781|0.500000|
|1.868567|1.829255|2.008314|2.328773|2.409224|2.116715|2.588873|4.338165|3.079966|0.083363|3.926328|0.101261|4.579961|0.128863|3.473217|0.090774|4.050554|2.533575|2.222728|1.958827|1.911001|2.099689|2.437531|2.724031|3.241617|6.640283|13.046543|9.437718|4.735407|7.319041|8.844901|17.566870|8.843992|6.774400|5.653236|6.766800|0.047827|0.046340|0.053660|0.075705|0.058605|0.061218|0.050111|0.048313|0.055900|0.070579|0.096856|0.174627|0.302334|0.500000|
|1.881112|1.786515|1.893132|2.160738|2.333139|2.142731|2.249834|3.719880|2.520570|0.070464|3.039110|0.079753|3.055096|0.086249|2.463275|0.065644|3.133274|2.018517|1.867481|1.668789|1.597318|1.689936|1.897470|2.003391|2.253741|3.725074|6.417596|6.270792|3.899028|7.143377|6.815259|8.839448|17.497705|8.850027|6.792819|5.654033|0.049065|0.045362|0.049636|0.073135|0.061350|0.052947|0.043854|0.040972|0.044750|0.052154|0.064132|0.204121|0.215005|0.173678|0.500000|
|1.674974|1.610591|1.716481|1.945352|2.060679|1.884809|2.062360|3.450187|2.341769|0.065222|2.786107|0.072984|2.972121|0.085110|2.433372|0.064474|3.022446|1.969990|1.799217|1.624240|1.581428|1.694871|1.897838|2.048172|2.307204|3.666716|6.730573|5.597835|3.363883|5.824334|5.509074|8.842434|17.542876|8.808500|5.490755|4.830719|0.043726|0.041178|0.045533|0.063999|0.053459|0.050138|0.042407|0.040696|0.045436|0.054125|0.067230|0.141241|0.211770|0.215067|0.303541|0.500000|
|1.601090|1.552629|1.646339|1.830043|1.909872|1.768620|1.926708|3.292405|2.098485|0.057105|2.500942|0.068741|2.557967|0.069685|2.162440|0.059464|2.691334|1.748988|1.612680|1.456992|1.411000|1.500142|1.672221|1.789384|2.016091|3.151921|5.856078|4.840832|2.974480|5.214742|4.847400|5.485475|8.818900|17.536808|8.817746|5.485074|0.042021|0.040060|0.044018|0.057894|0.049783|0.045372|0.038315|0.036443|0.040176|0.047199|0.058617|0.128467|0.123129|0.139234|0.214818|0.211635|0.500000|
|1.618656|1.589347|1.712559|1.917797|1.968636|1.788244|2.073658|3.571047|2.302221|0.061746|2.805479|0.077342|2.997734|0.080671|2.506692|0.069108|3.014443|1.936519|1.749713|1.571932|1.534115|1.656006|1.868998|2.046154|2.355572|3.906515|7.757213|5.700840|3.274908|5.443812|5.674190|6.785368|8.852504|17.504711|8.852150|6.783618|0.042086|0.040923|0.046160|0.059832|0.049684|0.048701|0.040898|0.039402|0.044486|0.053976|0.070061|0.132629|0.139176|0.199564|0.173746|0.214547|0.303203|0.500000|
|1.946262|1.882162|2.006164|2.254541|2.365915|2.171521|2.358155|4.006140|2.522098|0.067715|3.113741|0.087552|2.979068|0.078602|2.461453|0.068602|3.106225|1.968365|1.824014|1.616799|1.535672|1.619398|1.827251|1.921612|2.186950|3.694147|6.415708|6.270771|3.928355|7.113158|6.811087|5.651724|6.792197|8.850909|17.496650|8.838881|0.050589|0.048071|0.053165|0.071965|0.060800|0.052270|0.042597|0.039318|0.042691|0.049611|0.062133|0.203677|0.126908|0.131003|0.200123|0.139432|0.214854|0.173752|0.500000|
|1.751137|1.727851|1.858114|2.059427|2.097990|1.917125|2.202250|3.840831|2.344356|0.061771|2.881761|0.083294|2.861462|0.074017|2.431195|0.069235|2.983981|1.896119|1.737461|1.548483|1.487614|1.583838|1.787775|1.912271|2.194756|3.620530|6.729704|5.600145|3.395702|5.799335|5.508077|4.830963|5.490969|8.809190|17.543508|8.842284|0.045510|0.044583|0.050156|0.062744|0.052876|0.049220|0.040605|0.038160|0.042094|0.049750|0.063632|0.141051|0.106589|0.126586|0.139433|0.123127|0.211595|0.214572|0.303550|0.500000|
|1.934049|1.934314|2.147376|2.450435|2.447707|2.146185|2.761913|4.820594|3.086376|0.078973|4.098764|0.119204|4.340423|0.106853|3.472244|0.099297|3.996595|2.438074|2.151796|1.877025|1.808565|1.969378|2.294785|2.529362|3.053570|6.482933|13.054768|9.460341|4.796698|7.295906|8.852933|6.767632|5.649656|6.764576|8.833232|17.572831|0.049273|0.049289|0.058278|0.074472|0.058161|0.060221|0.048279|0.045676|0.052045|0.064642|0.090393|0.174560|0.139255|0.199025|0.130981|0.126491|0.139068|0.199164|0.173574|0.214807|0.500000|
|2.211215|2.201990|2.441611|2.798080|2.814669|2.466250|3.087363|5.350360|3.308572|0.084163|4.455542|0.135098|4.135750|0.100679|3.326029|0.096216|4.043690|2.444569|2.208381|1.906752|1.798844|1.920234|2.228322|2.366432|2.797102|5.505043|9.225957|9.596295|5.572303|8.958773|8.852460|5.488162|4.839652|5.484504|8.806689|17.533516|0.056038|0.055699|0.065551|0.085284|0.066592|0.063350|0.049549|0.045374|0.050070|0.059707|0.079222|0.216281|0.123591|0.139206|0.126977|0.106595|0.123134|0.139148|0.215074|0.211756|0.302565|0.500000|
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