Version2.4 2021-04-30T14:51:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 11-Jan-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C1CCCCC1)NC(=O)c2cc(ccc2Cl)Br C52343506 RHF 6-31G(d) (6D,7F) C[C@@H](C1CCCCC1)NC(=O)c2cc(ccc2Cl)Br C01[X(C15H19Br1Cl1N1O1)] 108 C1 342 C[C@@H](C1CCCCC1)NC(=O)c1cc(Br)ccc1Cl C[C@@H](C1CCCCC1)NC(=O)c1cc(Br)ccc1Cl C[C@H](NC(=O)c1cc(Br)ccc1Cl)C2CCCCC2 InChIKey=STBCFCYBVSRYQV-JTQLQIEISA-N InChI=1S/C15H19BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m0/s1 InChI=1/C15H19BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m0/s1/f/h18H C[C@@H](C1CCCCC1)NC(=O)c2cc(ccc2Cl)Br C01[X(C15H19Br1Cl1N1O1)] 108 C01 342 C[C@@H](C1CCCCC1)NC(=O)c1cc(Br)ccc1Cl C[C@@H](C1CCCCC1)NC(=O)[C]1[CH][C]([CH][CH][C]1Cl)Br C[C@H](NC(=O)[C]1[CH][C](Br)[CH][CH][C]1Cl)C2CCCCC2 InChIKey=STBCFCYBVSRYQV-JTQLQIEISA-N InChI=1S/C15H19BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m0/s1 InChI=1/C15H19BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3,(H,18,19)/t10-/m0/s1/f/h18H 1902.0615475314 -3737.7982324 1-A 10015.9101 88 254 342 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.07781 -104.83350 -64.48927 -58.62879 -58.62691 -58.62679 -20.53098 -15.58901 -11.36050 -11.32303 -11.31549 -11.27690 -11.27221 -11.27027 -11.26761 -11.26736 -11.23180 -11.22631 -11.22253 -11.22136 -11.22014 -11.21952 -11.21491 -10.56688 -9.73760 -8.03630 -8.03288 -8.03277 -7.48691 -7.47798 -7.47794 -3.22588 -3.22154 -3.22152 -3.21115 -3.21114 -1.40075 -1.24604 -1.21597 -1.14764 -1.12955 -1.07547 -1.05817 -1.04391 -1.01245 -0.98317 -0.96880 -0.90501 -0.87518 -0.84720 -0.83882 -0.80199 -0.79033 -0.75924 -0.72263 -0.69143 -0.68890 -0.65791 -0.64837 -0.63985 -0.62551 -0.61658 -0.60888 -0.60130 -0.59663 -0.57793 -0.56763 -0.55943 -0.55202 -0.53636 -0.53327 -0.53145 -0.51574 -0.51024 -0.49926 -0.49736 -0.48684 -0.47784 -0.46350 -0.45764 -0.44174 -0.43335 -0.43285 -0.42772 -0.42055 -0.38793 -0.36994 -0.33844 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.10050 0.10794 0.15314 0.20356 0.20779 0.21263 0.23616 0.23793 0.24960 0.27202 0.27832 0.28585 0.29632 0.30159 0.30351 0.31110 0.31333 0.31673 0.32580 0.33053 0.33202 0.34433 0.35425 0.36680 0.37051 0.38051 0.38374 0.39519 0.40412 0.41790 0.42603 0.43325 0.44115 0.45821 0.46226 0.46611 0.47278 0.48154 0.49167 0.50311 0.54645 0.55983 0.58032 0.59750 0.61115 0.63343 0.64033 0.64534 0.65550 0.66487 0.67764 0.68080 0.68889 0.70058 0.71182 0.71793 0.72936 0.73606 0.74513 0.75231 0.75704 0.76607 0.77056 0.78125 0.79554 0.81211 0.81390 0.82157 0.83735 0.85253 0.86673 0.87614 0.89098 0.90116 0.91379 0.91846 0.93211 0.95242 0.96032 0.96890 0.97511 0.98726 0.98995 0.99771 1.00351 1.01001 1.01785 1.02374 1.04444 1.04957 1.06460 1.07789 1.08319 1.09932 1.10708 1.11468 1.12136 1.12722 1.14220 1.14396 1.14919 1.15276 1.15810 1.16553 1.17092 1.17388 1.17767 1.18574 1.20496 1.20790 1.21491 1.22990 1.23191 1.23595 1.24578 1.24698 1.25858 1.26789 1.27236 1.28646 1.28796 1.29860 1.32256 1.35216 1.36609 1.37398 1.40005 1.40656 1.42218 1.43149 1.44610 1.47099 1.48533 1.49069 1.53272 1.55949 1.57609 1.62427 1.63668 1.65794 1.67394 1.67813 1.68496 1.69881 1.72707 1.73779 1.74637 1.78629 1.79913 1.80847 1.82634 1.83713 1.85868 1.90607 1.93650 1.97515 1.99224 2.01350 2.01451 2.02729 2.03958 2.05240 2.06299 2.07975 2.09181 2.11340 2.13803 2.16744 2.17971 2.19918 2.20616 2.21750 2.22369 2.23395 2.24602 2.25677 2.27990 2.30083 2.30804 2.34359 2.35201 2.36189 2.37495 2.39288 2.39413 2.40713 2.42041 2.42316 2.43402 2.44626 2.45354 2.47792 2.49344 2.52052 2.53485 2.59324 2.59726 2.60063 2.62479 2.63619 2.65193 2.66952 2.69046 2.70342 2.71517 2.74413 2.75268 2.77020 2.80171 2.82219 2.84082 2.88993 2.92200 2.94091 2.95548 2.98218 2.98389 2.99729 3.02841 3.02992 3.05383 3.08912 3.09906 3.11103 3.12244 3.12985 3.18184 3.20048 3.22422 3.31783 3.37531 3.51629 3.55262 3.75265 4.45860 4.47353 4.48544 4.51085 4.56789 4.61254 4.65516 4.68564 4.70412 4.73471 4.75895 4.80256 4.90039 4.95600 4.99136 4.99772 5.08864 5.13821 9.26659 74.47967 11.94407 0.9407 -2.1487 2.9091 3.7369 |XX|YY|ZZ|XY|XZ|YZ| -119.4384 -144.4772 -139.5303 -2.5399 -3.2127 6.8376 |XX|YY|ZZ|XY|XZ|YZ| 15.0436 -9.9953 -5.0483 -2.5399 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343.03385 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 9.3523 22.7957 40.1916 45.5731 86.3013 95.3303 117.1754 149.1303 169.6107 175.1110 240.2514 244.7527 262.3221 276.6853 281.3706 291.7022 325.8470 342.9267 385.2897 402.4678 444.9445 472.7782 487.3404 489.9743 525.0432 541.0711 551.2309 571.0354 647.8781 670.8612 731.5784 802.2866 821.1575 842.5386 864.5973 867.3596 899.7034 935.4735 946.9065 963.2469 972.1517 982.8586 1006.8247 1034.0314 1049.0314 1101.3026 1107.9483 1114.1200 1121.1646 1154.9438 1163.3722 1177.4658 1185.9442 1195.6797 1218.6399 1232.2185 1255.8864 1269.3452 1287.9480 1294.6609 1324.5333 1384.2203 1392.8355 1406.6736 1410.8381 1418.5720 1454.6091 1462.1312 1489.3431 1509.3646 1515.2529 1528.4178 1530.0455 1535.9188 1542.8462 1556.2869 1573.1548 1630.6895 1635.2048 1636.7986 1640.5468 1642.0950 1644.0162 1649.4619 1659.6236 1703.6372 1757.1525 1788.9743 1958.5898 3177.1880 3184.0557 3185.4292 3188.2562 3191.6643 3196.6427 3214.3498 3223.5145 3230.9011 3233.6013 3234.0260 3244.6235 3274.1363 3290.5959 3299.1209 3398.9496 3404.9078 3414.4952 3880.5399 4.5435 6.3892 4.4284 4.2904 3.7333 9.5299 4.2771 4.0818 8.5941 3.6571 2.2775 5.7177 1.8350 1.4969 25.6020 2.8406 7.2646 2.4503 2.6228 5.5534 3.3428 3.0380 3.1394 2.6107 1.6443 2.3815 2.1336 3.8991 2.8822 4.3148 6.1903 4.7859 4.4467 3.0564 1.5049 6.0066 2.9963 1.8981 1.3493 2.1568 1.8473 3.1717 1.4345 1.9235 1.5681 2.1933 1.3853 1.6921 1.7118 4.6001 1.6628 1.2649 2.1377 2.4265 7.0162 2.0005 2.0399 2.0152 2.0834 2.2567 1.5043 1.3745 1.6925 1.3344 1.3444 1.2728 1.2078 1.3333 1.3970 1.4095 1.3581 1.4799 1.4874 2.4781 1.6473 1.5220 1.3273 1.0896 1.1131 1.2103 1.1057 1.5841 1.2038 1.0537 1.1028 1.8328 6.4743 6.1675 10.2159 1.0833 1.0683 1.0670 1.0667 1.0654 1.0643 1.0452 1.0941 1.0994 1.0906 1.1016 1.1032 1.0986 1.1030 1.0897 1.0908 1.0931 1.0969 1.0780 0.0002 0.0020 0.0042 0.0053 0.0164 0.0510 0.0346 0.0535 0.1457 0.0661 0.0775 0.2018 0.0744 0.0675 1.1942 0.1424 0.4545 0.1698 0.2294 0.5300 0.3899 0.4001 0.4393 0.3693 0.2671 0.4108 0.3820 0.7491 0.7128 1.1441 1.9520 1.8150 1.7666 1.2783 0.6628 2.6624 1.4290 0.9787 0.7128 1.1791 1.0286 1.8052 0.8568 1.2117 1.0167 1.5673 1.0019 1.2375 1.2678 3.6153 1.3260 1.0332 1.7714 2.0439 6.1391 1.7897 1.8957 1.9130 2.0362 2.2286 1.5550 1.5517 1.9345 1.5557 1.5767 1.5091 1.5057 1.6794 1.8257 1.8920 1.8372 2.0369 2.0516 3.4443 2.3103 2.1719 1.9353 1.7071 1.7536 1.9105 1.7534 2.5167 1.9169 1.6890 1.7897 3.1342 11.7777 11.6298 23.0894 6.4429 6.3814 6.3788 6.3883 6.3944 6.4075 6.3627 6.6984 6.7618 6.7189 6.7885 6.8431 6.9388 7.0365 6.9880 7.4247 7.4663 7.5351 9.5647 0.1092 1.2924 0.6254 2.0355 0.7119 0.8131 2.1836 2.1252 0.7788 2.1529 1.2924 3.5592 0.1700 0.7031 0.9873 0.2778 3.4899 1.3544 0.7309 10.5650 4.9988 0.3926 3.6887 7.2229 79.1816 14.8991 24.4223 8.0136 6.3260 7.3691 4.8331 2.2085 13.9043 6.8370 0.6029 6.6538 0.1308 3.2450 30.9228 4.3887 3.4372 10.4537 0.7005 6.7973 8.0354 10.5506 0.2329 0.3299 0.3151 53.7833 7.1441 0.3538 11.4609 31.0300 14.1590 6.9472 30.5798 14.5083 7.1961 59.9622 1.8050 18.2335 73.1866 20.6865 37.6341 36.0646 17.6779 0.4902 25.9808 5.1496 27.1431 1.7248 4.7523 16.7032 12.3208 3.7078 9.8202 0.7491 1.2682 46.0513 2.4767 28.6275 35.4832 3.3095 0.1894 498.2096 15.6070 16.4704 342.3824 8.9258 29.8626 10.1826 46.3113 34.8101 20.0732 13.8077 85.1303 46.7337 70.2529 11.0788 176.3048 17.5808 41.9847 22.9533 0.7995 0.4089 2.3259 28.9308 1.0756 0.8462 1.2499 0.8063 2.4493 1.2351 0.7478 0.3859 0.8295 1.6500 0.6791 0.9771 0.1958 0.6175 8.0483 0.9964 1.5443 0.2224 0.7259 2.3045 1.9276 0.8460 0.5790 1.0055 1.1612 0.9003 0.2536 0.3477 2.2085 0.6335 7.3477 4.5886 1.2433 21.1545 1.7183 1.3660 4.8781 5.6670 1.0636 1.0143 1.2534 2.8548 0.4237 3.9414 1.6823 6.5949 0.7608 10.2480 11.0977 11.8073 6.4993 0.9574 5.2462 0.6106 12.5092 4.0502 1.8826 1.8538 1.0162 5.9522 7.1260 7.6067 7.8570 1.6699 7.5044 20.5225 6.8842 7.3765 2.1418 0.7816 4.9211 0.7303 1.7941 1.6864 2.4754 5.2776 1.7694 27.0319 9.6887 20.6046 0.5257 2.6743 2.8400 12.8281 2.6621 2.3107 13.9328 27.8544 9.2275 14.6018 77.3779 74.7333 22.7445 71.4543 88.4482 142.3589 14.6116 74.2566 229.1161 116.7135 18.5388 69.4593 65.9730 37.0583 45.4702 44.6638 152.5722 27.1765 0.7485 0.7497 0.7329 0.7296 0.7055 0.7479 0.7395 0.5909 0.2551 0.7266 0.6103 0.0658 0.7450 0.6636 0.2716 0.0557 0.5081 0.2436 0.2207 0.6529 0.4013 0.7017 0.3463 0.7499 0.4033 0.7467 0.3230 0.3809 0.5473 0.1582 0.2373 0.1027 0.6716 0.0382 0.6632 0.1879 0.4209 0.1811 0.7500 0.6463 0.5430 0.2630 0.6778 0.4348 0.5427 0.7355 0.7420 0.7458 0.6912 0.0934 0.3199 0.0589 0.4408 0.3033 0.2831 0.5363 0.5061 0.6405 0.7416 0.2264 0.6168 0.5358 0.2602 0.7355 0.7239 0.6894 0.7470 0.6883 0.7496 0.7493 0.5624 0.7161 0.7118 0.6492 0.7296 0.4965 0.5919 0.7494 0.7433 0.7271 0.6807 0.4985 0.7471 0.7471 0.6809 0.7487 0.4670 0.7486 0.1763 0.6817 0.5856 0.3364 0.5458 0.3043 0.1776 0.0238 0.6871 0.7500 0.1627 0.4726 0.4604 0.7452 0.7247 0.0740 0.7240 0.3033 0.1896 0.1430 0.8562 0.8570 0.8459 0.8437 0.8273 0.8558 0.8503 0.7428 0.4065 0.8417 0.7580 0.1234 0.8539 0.7978 0.4272 0.1054 0.6738 0.3918 0.3616 0.7900 0.5728 0.8247 0.5144 0.8571 0.5748 0.8550 0.4883 0.5517 0.7074 0.2731 0.3836 0.1863 0.8036 0.0736 0.7975 0.3164 0.5924 0.3067 0.8571 0.7852 0.7039 0.4165 0.8079 0.6061 0.7035 0.8476 0.8519 0.8544 0.8174 0.1709 0.4847 0.1112 0.6119 0.4654 0.4412 0.6982 0.6721 0.7809 0.8516 0.3693 0.7630 0.6978 0.4129 0.8476 0.8398 0.8161 0.8552 0.8154 0.8569 0.8567 0.7199 0.8346 0.8316 0.7873 0.8437 0.6635 0.7436 0.8568 0.8528 0.8420 0.8100 0.6653 0.8553 0.8552 0.8102 0.8563 0.6366 0.8562 0.2997 0.8107 0.7387 0.5034 0.7062 0.4666 0.3016 0.0464 0.8145 0.8571 0.2798 0.6418 0.6305 0.8540 0.8404 0.1378 0.8399 0.4654 0.3187 0.2503 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 6 6 1 6 6 6 6 6 6 7 6 8 6 6 6 6 6 6 17 35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 78.91834 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 5672.0636 13424.4808 17992.5143 0.99869 -0.05119 -0.00036 0.05119 0.99868 -0.00465 0.00059 0.00462 0.99999 1 0.01527 0.00645 0.00481 0.31818 0.13444 0.10031 13.46 32.80 57.83 65.57 124.17 137.16 168.59 214.57 244.03 251.95 345.67 352.14 377.42 398.09 404.83 419.69 468.82 493.40 554.35 579.06 640.18 680.22 701.17 704.96 755.42 778.48 793.10 821.59 932.15 965.22 1052.58 1154.31 1181.46 1212.23 1243.96 1247.94 1294.47 1345.94 1362.39 1385.90 1398.71 1414.11 1448.60 1487.74 1509.32 1584.53 1594.09 1602.97 1613.11 1661.71 1673.83 1694.11 1706.31 1720.32 1753.35 1772.89 1806.94 1826.30 1853.07 1862.73 1905.71 1991.58 2003.98 2023.89 2029.88 2041.01 2092.86 2103.68 2142.83 2171.64 2180.11 2199.05 2201.39 2209.84 2219.81 2239.15 2263.42 2346.20 2352.69 2354.99 2360.38 2362.61 2365.37 2373.21 2387.83 2451.15 2528.15 2573.94 2817.97 4571.26 4581.15 4583.12 4587.19 4592.09 4599.26 4624.73 4637.92 4648.55 4652.43 4653.04 4668.29 4710.75 4734.43 4746.70 4890.33 4898.90 4912.70 5583.23 0.339027 0.356822 0.357767 0.288976 -3737.459206 -3737.441410 -3737.440466 -3737.509256 2.307228D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[C@@H](C1CCCCC1)NC(=O)c2cc(ccc2Cl)Br C52343506 RHF 6-31G(d) (6D,10F) C1 343.033853 |X|Y|Z| 83.273494 51.505383 20.716879 44.623255 15 6 7 14 1 |36.858105| |12.440917|36.858105| |8.945022|17.633086|0.500000| |7.322047|12.352437|0.248404|36.858105| |5.959663|7.465011|0.196666|12.394670|36.858105| |4.121337|4.870962|0.129081|7.508234|12.436110|36.858105| |3.835761|4.291065|0.106918|6.405011|7.528285|12.447211|36.858105| |4.150719|4.836410|0.113412|7.510134|6.460538|7.541328|12.447705|36.858105| |6.048970|7.341460|0.151589|12.389127|7.573172|6.455001|7.522777|12.428852|36.858105| |7.755747|13.033538|0.260484|7.748822|4.994074|3.830111|3.581615|4.285110|6.148627|53.358707| |5.835715|7.725730|0.209584|5.206713|3.911772|3.128895|2.891923|3.311883|4.286532|19.192816|36.858105| |5.450344|6.749041|0.218148|4.597544|3.757312|2.981985|2.678352|2.936419|3.667747|11.501120|15.911233|73.516695| |4.215573|5.018273|0.132254|3.982593|3.098944|2.636152|2.523524|2.934767|3.616610|10.781920|12.593217|14.292717|36.858105| |3.538051|4.330492|0.113767|3.810118|2.964637|2.622691|2.540456|3.010071|3.559632|8.666286|7.634246|9.975341|13.711636|36.858105| |2.867413|3.317210|0.087794|3.025752|2.457891|2.237967|2.204624|2.583198|2.936805|6.016465|5.047075|7.355620|7.924525|13.794902|36.858105| |2.667995|2.943056|0.078294|2.632524|2.190456|1.987441|1.964389|2.262347|2.574530|5.166806|4.429362|6.746687|6.828869|7.935981|13.797253|36.858105| |2.925761|3.133979|0.083581|2.687976|2.242755|1.993211|1.957004|2.231094|2.597586|5.530389|4.995157|7.706509|7.907500|6.897767|7.990085|13.771671|36.858105| |3.650126|3.945633|0.105092|3.192595|2.607448|2.250040|2.179552|2.487396|2.997011|7.377210|7.477848|10.944226|13.713637|7.969766|6.913834|7.938096|13.767756|36.858105| |3.826437|3.772588|0.102133|2.960127|2.507795|2.132244|2.054794|2.283073|2.762781|6.370410|6.109016|10.456593|6.975821|4.753068|4.240490|4.785660|7.100907|10.960538|448.794386| |2.372164|2.739603|0.072972|2.664384|2.224308|2.108233|2.101767|2.456192|2.643019|4.612574|3.578489|5.498443|4.591699|6.703344|10.053462|6.696374|4.605010|4.096601|23.943104|2539.412838| |17.578506|8.861763|0.218715|5.418784|4.627172|3.402767|3.157584|3.385862|4.585261|9.637759|6.247974|11.087024|4.453751|3.554741|2.899051|2.763904|3.128601|4.008629|36.281892|79.740367|0.500000| |17.552705|8.738910|0.173762|6.522859|5.168014|3.864344|3.858293|4.355713|6.558698|9.480968|5.167784|8.107158|4.068338|3.476783|2.871995|2.691536|2.941482|3.601318|30.020537|81.182178|0.301564|0.500000| |17.571461|8.749321|0.210952|6.678066|6.592172|4.421367|4.011106|4.046869|5.515018|7.614207|4.524654|7.935559|3.435821|2.985529|2.483441|2.321797|2.515548|3.042309|25.797118|72.000953|0.301970|0.301192|0.500000| |5.471577|9.022979|0.218840|17.490011|8.951618|6.970474|5.794620|6.963580|8.930729|10.129459|5.298967|8.248851|4.160990|4.194751|3.277297|2.765155|2.755822|3.236891|23.169119|100.133185|0.124375|0.137755|0.138044|0.500000| |5.473081|6.965793|0.218323|8.810845|17.526278|8.825222|5.490096|4.838763|5.503482|6.468338|3.949589|7.086329|3.074924|2.916091|2.413678|2.157742|2.218981|2.590680|20.159278|74.060461|0.125968|0.125472|0.168999|0.214539|0.500000| |6.548102|6.734719|0.172499|8.797867|17.516114|8.877668|6.802945|5.690019|6.836657|6.155108|3.606085|6.218722|2.885413|2.705739|2.277547|2.070081|2.147149|2.494148|19.821916|69.645096|0.137388|0.159151|0.230024|0.174263|0.303323|0.500000| |3.670042|4.540801|0.123988|6.782125|8.850020|17.500341|8.851835|6.775815|5.658398|5.125601|3.135980|5.311916|2.674357|2.723974|2.322891|2.034577|2.013488|2.257666|16.851231|75.765608|0.086679|0.095226|0.105295|0.206698|0.214839|0.174033|0.500000| |3.628176|4.051285|0.111235|5.479961|8.827564|17.535823|8.815753|5.492920|4.843669|4.403931|2.741741|4.754637|2.332802|2.304965|1.997475|1.797662|1.810522|2.029698|15.686586|64.322323|0.085503|0.094115|0.111651|0.141963|0.212739|0.215615|0.303489|0.500000| |3.148933|3.489068|0.089310|4.818883|5.486216|8.812540|17.534609|8.818085|5.484920|4.138078|2.534203|4.202551|2.264775|2.313754|2.045169|1.825785|1.801848|1.976516|14.903981|67.875196|0.074385|0.088133|0.090858|0.129632|0.123210|0.139542|0.214963|0.211305|0.500000| |3.918597|4.074380|0.100899|5.612020|6.772186|8.855260|17.495229|8.857232|6.769368|4.570090|2.733625|4.535839|2.385663|2.357504|2.062112|1.867371|1.881757|2.097124|16.195027|66.172774|0.089144|0.111779|0.117750|0.132952|0.139332|0.200067|0.173793|0.215135|0.303386|0.500000| |3.692570|4.512588|0.109322|6.786616|5.664413|6.777846|8.852672|17.499952|8.849472|5.748882|3.331655|5.227225|3.008064|3.196425|2.743473|2.352502|2.275555|2.512969|18.072492|91.165317|0.086312|0.104947|0.098211|0.206565|0.126599|0.131504|0.199004|0.139169|0.215048|0.173816|0.500000| |3.661764|4.017060|0.094926|5.480509|4.846138|5.492625|8.815247|17.534606|8.825994|5.064408|2.956765|4.655852|2.706483|2.787422|2.454630|2.175928|2.138358|2.345798|17.347354|80.393133|0.084903|0.110756|0.098977|0.141830|0.106649|0.127385|0.139149|0.123221|0.211492|0.215144|0.303453|0.500000| |6.679070|6.646652|0.138815|8.805420|6.842949|5.688573|6.798051|8.868230|17.517806|7.309809|3.907922|6.087352|3.309837|3.157394|2.661330|2.400885|2.467550|2.845345|21.862065|80.792649|0.136013|0.221907|0.176417|0.174150|0.140151|0.202464|0.131446|0.127383|0.139486|0.199941|0.173953|0.215281|0.500000| |5.562207|6.742763|0.139037|8.743881|5.487470|4.832990|5.497741|8.865554|17.509538|9.314790|4.663934|6.739971|4.115957|4.133934|3.382151|2.922949|2.919919|3.360434|24.043084|102.255238|0.123537|0.175608|0.132129|0.212622|0.122861|0.139729|0.126391|0.106564|0.123468|0.139567|0.215530|0.214293|0.303454|0.500000| |6.649064|8.983575|0.180964|6.997391|4.522728|3.661207|3.618306|4.573194|6.708527|26.067939|9.472670|10.914765|7.649011|6.683893|4.735058|4.022523|4.213839|5.411696|36.030818|123.480244|0.164840|0.191878|0.137444|0.186510|0.114644|0.115757|0.099681|0.085519|0.085736|0.094406|0.124944|0.113425|0.160841|0.239558|0.500000| |3.601347|4.662941|0.122576|4.328030|3.291757|2.940979|2.825420|3.395580|3.967244|9.139880|7.128841|9.523080|8.925712|17.754926|8.942051|5.652976|4.967817|5.662303|31.442031|220.487780|0.097152|0.097273|0.085325|0.140269|0.089694|0.081215|0.086638|0.070693|0.071422|0.071313|0.103267|0.085605|0.094147|0.127873|0.193244|0.500000| 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