Version2.4 2021-05-20T03:50:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 14-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)c(c[nH]2)C[C@@H](c3nc(co3)C(=O)NCc4ccc(cc4)Br)[NH3+] C33615666 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)c(c[nH]2)C[C@@H](c3nc(co3)C(=O)NCc4ccc(cc4)Br)[NH3+] C01[X(C21H20Br1N4O2)] 138 C1 475 Brc1ccc(cc1)CNC(=O)c1coc(n1)[C@H](Cc1c[nH]c2c1cccc2)[NH3+] Brc1ccc(cc1)CNC(=O)c1coc(n1)[C@H](Cc1c[nH]c2c1cccc2)[NH3+] [NH3+][C@@H](Cc1c[nH]c2ccccc12)c3occ(n3)C(=O)NCc4ccc(Br)cc4 InChIKey=QEDKKKFIXRFMJR-KRWDZBQOSA-O InChI=1S/C21H19BrN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10,23H2,(H,25,27)/p+1/t17-/m0/s1 InChI=1/C21H19BrN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10,23H2,(H,25,27)/p+1/t17-/m0/s1/fC21H20BrN4O2/h23,25H/q+1 c1ccc2c(c1)c(c[nH]2)C[C@@H](c3nc(co3)C(=O)NCc4ccc(cc4)Br)[NH3+] C01[X(C21H20Br1N4O2)] 138 C01 475 Brc1ccc(cc1)CNC(=O)c1coc(n1)[C@H](Cc1c[nH]c2c1cccc2)[NH3+] O=C(c1coc(n1)[C@H](C[C]1=CN[C]2[C]1[CH][CH][CH][CH]2)[NH3])NC[C]1[CH][CH][C]([CH][CH]1)Br [NH3][C@@H](CC1=CN[C]2[CH][CH][CH][CH][C]12)c3occ(n3)C(=O)NC[C]4[CH][CH][C](Br)[CH][CH]4 InChIKey=PRALOTJQSGMDHM-KRWDZBQOSA-N InChI=1S/C21H20BrN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10H2,23H3,(H,25,27)/t17-/m0/s1 InChI=1/C21H20BrN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10H2,23H3,(H,25,27)/t17-/m0/s1/f/h25H 2684.6868343946 -3744.0963087 1-A 26411.2891 112 363 475 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.12079 -64.53230 -58.67181 -58.66993 -58.66982 -20.79892 -20.61598 -15.87476 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439.07696 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 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.2602 10.7081 17.2053 23.6294 26.0593 51.4971 65.3334 76.5639 80.5618 101.5224 129.1922 160.8547 194.5527 201.3050 216.4702 222.7130 241.4108 247.1132 265.3337 276.3986 317.0948 336.6638 371.6345 377.5244 381.6267 421.2738 459.5910 468.7682 477.4001 498.9290 502.8831 520.4998 551.0913 582.0066 591.3379 615.1870 632.3024 636.4091 675.9736 681.9669 690.4347 696.3998 758.8504 807.0643 808.3852 817.9165 836.0657 848.4486 855.4164 856.8402 863.0709 909.5594 935.9031 951.9345 955.6134 961.0438 967.5907 978.7849 980.7179 1002.4476 1049.2697 1067.7491 1070.4860 1078.5090 1093.7084 1103.0773 1110.6155 1111.9154 1113.3303 1121.1907 1134.4321 1164.2277 1174.6606 1178.6308 1195.4477 1207.6794 1213.7881 1218.7636 1246.4989 1253.9633 1280.5360 1301.4231 1307.6137 1327.5929 1349.6852 1356.1748 1375.9228 1378.5826 1390.9079 1397.9453 1415.6571 1432.2173 1443.3908 1461.7321 1494.7479 1499.0501 1522.2126 1533.3033 1534.9012 1567.5561 1585.0123 1623.5854 1627.2276 1662.5274 1663.7782 1671.7460 1673.1765 1712.0390 1731.2257 1769.2749 1775.0089 1795.5294 1806.0931 1817.2222 1820.0485 1822.3269 1846.2445 1951.8363 3234.9278 3241.0020 3283.5177 3312.3039 3333.7121 3334.5441 3365.5361 3366.7275 3376.4182 3386.2142 3400.6741 3404.9396 3406.6832 3436.7471 3521.4117 3592.4676 3693.8810 3735.1177 3877.2593 3899.7243 5.6328 7.9354 5.6809 4.0574 6.3246 6.6804 5.3223 5.0959 5.9336 5.1597 5.4344 6.3247 6.3006 5.9678 4.9942 4.9083 3.8044 2.6935 2.1480 1.7931 4.7664 4.9044 4.9564 2.9869 6.2933 5.5813 2.9358 3.5655 3.3607 2.8506 2.3896 1.6233 1.1711 3.2910 5.9030 4.3762 5.1785 3.2010 4.3428 4.5042 3.1017 6.8535 4.8704 3.5363 4.2856 5.0046 3.9807 1.3767 5.4855 4.9649 4.8965 2.8936 1.9641 4.5507 1.2477 2.6021 1.4490 1.5843 1.4808 1.5552 2.5933 3.0170 1.4248 3.5273 2.1885 2.3158 2.6514 2.1935 1.5182 1.3251 1.9266 4.7266 2.2378 2.8951 2.0307 1.8375 2.2647 2.1218 1.4907 1.5650 2.6214 1.8985 1.1612 2.6428 2.4579 1.6729 1.1786 2.1804 2.3753 1.6405 1.5606 2.4584 2.5031 1.3121 2.4959 1.9659 1.4016 1.7698 1.7868 2.2270 2.2665 1.7246 1.2944 2.6962 1.1372 2.0801 1.2031 2.1503 4.7729 6.2539 5.2253 5.0487 5.4017 1.1496 1.2597 2.8815 6.4955 10.5605 1.0639 1.0687 1.1044 1.0991 1.0902 1.0901 1.0912 1.0913 1.0897 1.0946 1.0979 1.0951 1.0952 1.0993 1.1045 1.0399 1.0869 1.0956 1.0792 1.0820 0.0001 0.0005 0.0010 0.0013 0.0025 0.0104 0.0134 0.0176 0.0227 0.0313 0.0534 0.0964 0.1405 0.1425 0.1379 0.1434 0.1306 0.0969 0.0891 0.0807 0.2824 0.3275 0.4033 0.2508 0.5400 0.5836 0.3654 0.4616 0.4513 0.4181 0.3561 0.2591 0.2096 0.6568 1.2162 0.9758 1.2198 0.7639 1.1692 1.2342 0.8711 1.9583 1.6525 1.3571 1.6500 1.9726 1.6394 0.5839 2.3650 2.1476 2.1490 1.4104 1.0136 2.4296 0.6713 1.4160 0.7993 0.8942 0.8392 0.9208 1.6822 2.0265 0.9620 2.4173 1.5424 1.6602 1.9269 1.5979 1.1088 0.9814 1.4608 3.7747 1.8193 2.3696 1.7099 1.5790 1.9658 1.8569 1.3647 1.4499 2.5326 1.8945 1.1698 2.7444 2.6381 1.8128 1.3146 2.4415 2.7075 1.8889 1.8427 2.9711 3.0726 1.6518 3.2856 2.6029 1.9135 2.4515 2.4802 3.2241 3.3549 2.6784 2.0194 4.3908 1.8547 3.4251 1.9844 3.7135 8.4283 11.5344 9.6999 9.5900 10.3815 2.2367 2.4585 5.6379 13.0450 23.7039 6.5594 6.6142 7.0154 7.1049 7.1385 7.1416 7.2819 7.2881 7.3192 7.3948 7.4805 7.4804 7.4889 7.6503 8.0696 7.9071 8.7382 9.0055 9.5586 9.6953 2.2214 1.5306 0.4506 0.7610 4.2717 5.4430 3.9629 9.3100 2.8098 1.3466 1.4074 1.2719 3.6815 2.4333 0.8610 10.5947 4.3485 13.4401 0.9276 21.7512 5.8872 35.9996 14.3598 1.5846 4.8366 22.1660 0.8710 7.1597 12.6555 3.6134 41.4972 92.9402 111.7926 35.0821 1.4650 11.5299 3.1339 5.5203 0.9124 0.4053 0.4820 0.1124 0.6989 1.8740 11.1488 13.7702 8.7939 88.2990 37.9076 26.7724 5.2190 2.8784 95.0090 0.1082 0.4152 5.1372 1.6046 21.4291 5.2674 6.1421 19.0872 57.4592 11.9349 13.7349 10.7518 22.2257 21.1138 1.8551 4.0706 0.2984 9.6819 1.6238 34.0622 34.8597 4.8121 34.3996 109.6990 100.1237 5.9534 8.3696 9.8761 47.3744 0.4963 1.4501 27.2654 11.7672 16.4615 67.4849 4.5543 27.5378 8.2768 50.7502 2.1607 6.2023 12.0784 16.0551 14.1914 17.4704 12.7412 16.7958 43.9950 26.9928 17.6582 12.0978 33.0207 53.0569 163.7358 447.4020 38.3889 0.8305 2.4788 356.6788 9.9966 52.4772 48.3234 31.6603 8.2906 431.7809 7.5967 31.6185 2.6553 4.6448 4.7284 15.4980 11.8478 11.8603 0.0829 12.8260 11.2612 3.9517 1.3456 0.0836 15.4424 155.4276 194.8856 104.3285 53.8110 153.1673 5.3666 3.5733 2.0238 7.4071 0.4294 0.6337 0.9814 1.2075 2.8996 4.9239 1.0596 0.4163 4.1585 0.9540 0.3905 2.7197 1.7485 0.9267 1.6467 1.8793 2.8788 1.6439 1.5652 0.9923 1.5584 0.5537 0.0903 1.3090 0.4574 0.2031 0.5731 0.9780 1.0146 0.6659 4.5829 1.8402 4.6208 1.2112 1.8832 2.4711 2.0945 6.1009 2.2539 1.5675 8.1101 15.2937 0.7443 1.0769 11.7641 4.3542 2.3854 4.2158 4.5792 7.0577 2.7648 4.5885 1.8621 2.3014 1.4317 7.9407 3.5669 8.6415 1.0398 9.9908 10.5698 3.6915 4.4490 15.7396 0.8492 0.5999 3.8060 12.1411 2.5181 15.1205 1.7059 5.1416 7.4863 2.3481 13.8662 10.3469 0.4699 6.0755 5.7929 12.1175 4.5229 7.4428 6.2560 3.5119 33.9648 12.5284 27.9029 13.9962 18.3128 2.5427 15.9819 49.5037 5.5345 23.0470 4.9161 0.6912 47.4252 4.2345 10.7691 1.8427 11.9647 1.8513 4.4006 16.4360 70.0186 4.3215 22.4033 114.2499 63.5302 12.5047 12.4684 9.0747 49.7358 16.1943 56.2273 84.9747 45.4870 47.2890 46.8132 31.2106 63.9941 71.9508 69.3972 81.6708 252.3476 54.0490 123.3534 74.5483 64.9406 127.8029 36.8152 29.1029 33.3389 106.4169 0.7499 0.7485 0.7438 0.7490 0.6543 0.7297 0.7415 0.7367 0.7385 0.7426 0.5342 0.7469 0.2996 0.6757 0.6468 0.5612 0.4733 0.6572 0.6621 0.2378 0.7500 0.2054 0.7030 0.6201 0.1727 0.6357 0.6810 0.7499 0.7405 0.7419 0.6844 0.6102 0.7284 0.7302 0.3077 0.3494 0.6449 0.5244 0.3164 0.3887 0.6693 0.7471 0.4832 0.3203 0.3314 0.0694 0.7424 0.6843 0.1525 0.1062 0.3111 0.5735 0.0571 0.1097 0.7437 0.1036 0.6532 0.7154 0.4377 0.0895 0.1777 0.7181 0.6228 0.3593 0.6011 0.7447 0.4328 0.1390 0.4269 0.7369 0.5374 0.4064 0.5730 0.0759 0.2508 0.1772 0.1988 0.7485 0.2823 0.3625 0.7391 0.7267 0.1234 0.1495 0.3702 0.3824 0.6899 0.1763 0.1841 0.3223 0.3396 0.4963 0.5816 0.7490 0.4040 0.1677 0.6759 0.7345 0.3723 0.7354 0.6060 0.7415 0.6590 0.5977 0.7486 0.7371 0.1516 0.1474 0.2175 0.6728 0.3728 0.1772 0.4970 0.6496 0.7500 0.7350 0.4692 0.1508 0.0608 0.0917 0.6477 0.4362 0.1769 0.7098 0.4388 0.3347 0.5351 0.7490 0.1419 0.2881 0.1951 0.3382 0.2829 0.1190 0.7452 0.6466 0.1427 0.2352 0.8571 0.8562 0.8531 0.8565 0.7910 0.8437 0.8516 0.8484 0.8496 0.8523 0.6964 0.8551 0.4611 0.8065 0.7855 0.7190 0.6425 0.7932 0.7967 0.3843 0.8571 0.3408 0.8256 0.7655 0.2945 0.7773 0.8103 0.8571 0.8509 0.8518 0.8127 0.7579 0.8429 0.8441 0.4706 0.5179 0.7841 0.6880 0.4807 0.5598 0.8019 0.8553 0.6516 0.4852 0.4978 0.1298 0.8522 0.8126 0.2646 0.1921 0.4746 0.7289 0.1080 0.1977 0.8530 0.1877 0.7902 0.8341 0.6089 0.1643 0.3018 0.8359 0.7676 0.5287 0.7509 0.8537 0.6041 0.2440 0.5983 0.8485 0.6991 0.5780 0.7285 0.1412 0.4010 0.3011 0.3316 0.8561 0.4402 0.5322 0.8500 0.8417 0.2198 0.2601 0.5404 0.5533 0.8165 0.2998 0.3109 0.4874 0.5070 0.6634 0.7355 0.8565 0.5755 0.2873 0.8066 0.8470 0.5426 0.8475 0.7547 0.8516 0.7944 0.7482 0.8562 0.8487 0.2632 0.2569 0.3573 0.8044 0.5431 0.3010 0.6640 0.7876 0.8571 0.8472 0.6387 0.2621 0.1147 0.1680 0.7862 0.6074 0.3007 0.8303 0.6100 0.5015 0.6971 0.8565 0.2485 0.4474 0.3265 0.5055 0.4410 0.2127 0.8540 0.7854 0.2498 0.3808 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 6 6 6 6 6 6 6 6 7 1 6 6 1 6 7 6 6 8 6 8 7 6 6 6 6 6 6 6 35 7 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 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7459.8201 45133.3327 50593.4684 0.99975 0.02169 -0.00523 -0.02163 0.99971 0.01017 0.00545 -0.01005 0.99993 1 0.01161 0.00192 0.00171 0.24193 0.03999 0.03567 7.57 15.41 24.75 34.00 37.49 74.09 94.00 110.16 115.91 146.07 185.88 231.43 279.92 289.63 311.45 320.43 347.34 355.54 381.76 397.68 456.23 484.38 534.70 543.17 549.08 606.12 661.25 674.45 686.87 717.85 723.54 748.88 792.90 837.38 850.80 885.12 909.74 915.65 972.58 981.20 993.38 1001.96 1091.82 1161.19 1163.09 1176.80 1202.91 1220.73 1230.75 1232.80 1241.77 1308.65 1346.56 1369.62 1374.91 1382.73 1392.15 1408.25 1411.03 1442.30 1509.67 1536.25 1540.19 1551.73 1573.60 1587.08 1597.93 1599.80 1601.83 1613.14 1632.19 1675.06 1690.07 1695.79 1719.98 1737.58 1746.37 1753.53 1793.43 1804.17 1842.41 1872.46 1881.36 1910.11 1941.90 1951.23 1979.65 1983.47 2001.21 2011.33 2036.81 2060.64 2076.72 2103.11 2150.61 2156.80 2190.12 2206.08 2208.38 2255.36 2280.48 2335.98 2341.22 2392.01 2393.81 2405.27 2407.33 2463.24 2490.85 2545.59 2553.84 2583.37 2598.57 2614.58 2618.64 2621.92 2656.33 2808.26 4654.34 4663.08 4724.25 4765.67 4796.47 4797.67 4842.26 4843.97 4857.91 4872.01 4892.81 4898.95 4901.46 4944.71 5066.53 5168.76 5314.67 5374.00 5578.51 5610.83 0.414702 0.437923 0.438867 0.354102 -3743.681607 -3743.658386 -3743.657442 -3743.742207 2.843032D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE c1ccc2c(c1)c(c[nH]2)C[C@@H](c3nc(co3)C(=O)NCc4ccc(cc4)Br)[NH3+] C33615666 RHF 6-31G(d) (6D,10F) C1 439.076962 |X|Y|Z| 58.360938 26.362253 149.368693 61.252167 25 6 7 8 21 3 1 |36.858105| |13.548258|36.858105| |7.862010|13.873935|36.858105| |6.929620|8.049701|13.656112|36.858105| |7.960039|6.862673|7.785125|13.611068|36.858105| |13.876065|7.879391|6.741676|7.882515|13.558602|36.858105| |4.999436|4.542368|5.253829|8.336310|13.135674|7.238071|36.858105| |4.169836|4.187564|5.297357|8.545725|8.483035|5.238015|14.037948|36.858105| |4.646265|5.161267|7.591965|13.894864|8.524130|5.355961|8.548414|14.009960|53.358707| |3.937593|4.547379|6.657225|9.028191|5.961863|4.269861|5.991100|9.095888|26.071656|0.500000| |4.062589|3.538080|3.789392|5.085977|7.218171|5.707444|12.681562|7.440901|7.034559|0.115253|36.858105| |3.579535|3.146226|3.311679|4.198583|5.468558|4.726857|7.528631|5.604632|5.798287|0.099192|12.359874|36.858105| |3.222975|2.955725|3.203744|4.063988|4.887232|4.063350|6.789597|5.858544|5.958400|0.104042|8.783211|17.660396|0.500000| |2.967271|2.602739|2.666041|3.197673|3.970654|3.726446|4.917715|3.984223|4.378669|0.078010|7.464773|12.758422|0.251811|36.858105| |2.489798|2.242602|2.315716|2.727239|3.220514|3.004830|3.928822|3.430618|3.828334|0.070039|5.388795|7.687866|0.202136|15.072057|53.358707| |2.278295|2.037523|2.063882|2.369750|2.779704|2.696348|3.230765|2.825667|3.260679|0.060256|4.255162|5.333427|0.134539|9.076494|18.640558|36.858105| |2.492579|2.175179|2.160414|2.465414|2.962774|2.978538|3.349302|2.827175|3.300105|0.060383|4.461631|5.375446|0.125181|8.938608|11.707719|14.259885|36.858105| |3.016394|2.571860|2.551213|2.976548|3.740887|3.767103|4.295347|3.425885|3.925023|0.070199|6.157048|7.877319|0.160705|14.270938|11.844373|8.769239|14.041743|73.516695| |1.933327|1.758220|1.783256|2.012768|2.292237|2.226728|2.613342|2.369584|2.790758|0.052514|3.246609|3.830906|0.102260|5.375330|10.114795|12.767766|7.560682|9.347790|36.858105| |1.817885|1.649336|1.655775|1.844051|2.091612|2.068266|2.330948|2.112445|2.529047|0.047777|2.836905|3.231833|0.085046|4.317285|7.173111|8.195155|6.666878|8.133690|15.868344|73.516695| |1.813208|1.675754|1.721075|1.944755|2.173611|2.072584|2.500288|2.331992|2.744511|0.052170|3.032075|3.570396|0.100452|4.661830|9.023041|7.961258|5.211401|7.464800|14.238107|14.990403|53.358707| |1.592321|1.486137|1.524810|1.700003|1.867681|1.789348|2.111293|2.003751|2.401056|0.046198|2.475510|2.811175|0.079594|3.436176|5.992769|5.044397|3.844300|5.696365|7.770124|11.956092|17.783987|36.858105| |1.512861|1.428581|1.475957|1.639711|1.774295|1.685882|1.999692|1.934504|2.336048|0.045355|2.286824|2.607996|0.075981|3.044945|5.185807|3.982628|3.148051|4.924161|5.192733|8.040093|10.616036|12.600104|36.858105| |1.433714|1.366501|1.422033|1.578477|1.688058|1.590281|1.907103|1.876965|2.272440|0.044506|2.149055|2.391549|0.070425|2.700262|4.472847|3.308285|2.696462|4.341521|4.026079|6.354120|7.549731|7.553910|13.745864|36.858105| |1.359099|1.306929|1.364837|1.505922|1.590572|1.494690|1.783059|1.777763|2.176115|0.042977|1.967526|2.183362|0.065009|2.392934|3.853266|2.778453|2.328743|3.841420|3.210903|5.145089|5.618812|5.009015|7.890679|13.727089|36.858105| |1.353358|1.302814|1.356981|1.489701|1.569849|1.481537|1.743964|1.735662|2.141488|0.042305|1.909080|2.149788|0.064206|2.341908|3.735304|2.683058|2.269790|3.766427|3.053412|4.918148|5.203470|4.443789|6.864759|7.980646|13.806810|36.858105| |1.418024|1.355180|1.402457|1.539379|1.636666|1.556238|1.811562|1.778748|2.192328|0.042994|2.000516|2.299318|0.068232|2.551327|4.111861|2.999524|2.514660|4.120499|3.468020|5.571347|5.926767|5.017021|7.892931|6.881849|7.918976|13.746379|36.858105| |1.502431|1.421178|1.464085|1.616423|1.742469|1.663882|1.941109|1.877540|2.290223|0.044516|2.190842|2.543835|0.074509|2.930229|4.884080|3.693907|2.992360|4.750245|4.559260|7.196716|8.324928|7.557800|13.686126|7.972687|6.879695|7.979517|13.790303|36.858105| |1.245649|1.211890|1.265454|1.375678|1.428505|1.347771|1.568085|1.580568|1.980947|0.039542|1.677546|1.863662|0.055789|1.971017|3.038501|2.156679|1.883126|3.192293|2.360319|3.871696|3.800558|3.081640|4.079264|4.601928|6.700672|10.053178|6.696119|4.605710|2539.412838| |4.204183|3.577146|3.629947|4.447258|5.893583|5.565392|6.559692|4.911889|5.664503|0.096738|7.648022|12.554914|0.253264|7.823962|7.410706|4.345604|4.661769|11.837222|3.280394|5.120865|4.123056|2.465024|2.318728|2.115125|1.963807|1.972972|2.132596|2.327766|59.284283|53.358707| |5.017134|4.298199|4.441299|5.628274|7.668648|6.816517|7.813300|5.756385|6.871222|0.113728|7.336677|9.099179|0.215442|5.740152|5.926282|3.565885|3.775959|8.986462|2.814465|4.455890|3.605664|2.208304|2.104547|1.950153|1.831853|1.840394|1.966436|2.112904|56.185876|25.536491|0.500000| |3.624326|3.184924|3.230328|3.806197|4.648857|4.454573|5.043338|4.158558|4.953991|0.087433|5.635233|9.007202|0.225841|7.000690|7.331316|4.321691|4.476002|10.489742|3.330172|5.177530|4.236593|2.535828|2.418263|2.183672|2.040926|2.080517|2.278156|2.478456|62.528824|25.656044|0.321407|0.500000| |4.439940|3.592283|3.483559|4.115507|5.570113|5.933921|5.710990|4.231695|5.043230|0.086947|6.810590|9.048515|0.180064|7.303397|6.856027|4.348905|5.034857|13.424169|3.265276|5.221104|3.980955|2.394514|2.217706|2.011962|1.857880|1.863419|2.020833|2.221053|55.945996|25.642776|0.324388|0.324190|0.500000| |17.730837|8.877141|5.630567|4.982864|5.649529|8.971346|4.027184|3.406443|5.012040|0.089582|3.513262|3.186710|0.079412|2.751792|3.170441|2.176996|2.410478|5.109053|1.861727|3.147965|2.359938|1.531262|1.450066|1.369719|1.297554|1.294585|1.360576|1.443481|40.573091|5.108180|0.118632|0.092026|0.113827|0.500000| |8.878868|17.733970|8.989273|5.691924|4.948176|5.637264|3.617455|3.423244|5.631098|0.106525|2.952857|2.687370|0.070791|2.286029|2.724121|1.841080|1.961327|4.046425|1.609579|2.704091|2.092494|1.376015|1.326949|1.271710|1.221179|1.220207|1.267830|1.323963|38.868694|4.132458|0.098327|0.077022|0.085272|0.215657|0.500000| |5.599049|8.913103|17.724422|8.824638|5.566945|4.884042|4.290624|4.617433|9.122897|0.187908|3.226956|2.880719|0.079156|2.366990|2.856893|1.878328|1.944285|4.006171|1.646022|2.722870|2.181710|1.433435|1.397994|1.355750|1.310051|1.303756|1.340221|1.388758|41.738561|4.216996|0.102473|0.078608|0.082046|0.123796|0.215283|0.500000| |8.965053|5.616648|4.881357|5.597195|8.780927|17.672284|6.391515|4.528572|5.888485|0.098787|5.990050|5.030553|0.114165|4.138713|4.423271|2.971619|3.400362|7.864611|2.413477|4.007770|2.998132|1.886678|1.754449|1.640453|1.528683|1.512930|1.599077|1.727017|46.415293|8.108302|0.183889|0.129668|0.195629|0.216586|0.124158|0.106319|0.500000| |3.378141|3.409084|4.179965|5.885343|5.772244|4.074911|8.665186|17.778260|12.259556|0.213834|6.424835|5.180817|0.160823|3.860429|4.725506|2.828049|2.750224|5.763277|2.407497|3.783044|3.289301|2.083434|2.028220|1.991969|1.891157|1.832022|1.857809|1.952803|56.746917|5.837901|0.131565|0.104901|0.102572|0.079467|0.080379|0.106775|0.102464|0.500000| |3.386104|3.056195|3.317095|4.330535|5.487214|4.435257|8.873813|6.878080|6.390719|0.109235|17.578907|9.001473|0.216741|6.851236|7.516665|4.327542|4.322165|9.776121|3.371332|5.178553|4.366527|2.616420|2.406822|2.290252|2.080215|1.987422|2.058509|2.260388|59.021578|7.618921|0.147800|0.126523|0.140563|0.082876|0.072448|0.080976|0.127364|0.188752|0.500000| |4.277830|3.550292|3.625055|4.626409|6.737923|6.159322|8.885707|5.638456|5.975934|0.100084|17.554183|8.823549|0.173348|6.961153|6.758736|4.253194|4.795707|12.190809|3.229198|5.141224|3.975813|2.400370|2.180841|2.036493|1.854126|1.797999|1.891952|2.085459|53.724711|9.256397|0.176414|0.140860|0.195617|0.105304|0.082743|0.085094|0.200520|0.135625|0.304481|0.500000| |2.373808|2.063472|2.021669|2.265805|2.698554|2.783070|2.953604|2.513019|2.996971|0.055199|3.768724|4.268779|0.101225|6.081355|7.925907|8.598479|17.869445|16.249889|6.375649|11.736929|6.065822|3.518213|2.872392|2.472706|2.146501|2.096047|2.318692|2.742273|59.731300|5.359768|0.091626|0.105379|0.121553|0.064883|0.052183|0.050692|0.089005|0.067538|0.101104|0.115678|0.500000| |1.892205|1.757978|1.824326|2.082938|2.322739|2.176663|2.722351|2.563820|2.978201|0.056574|3.314333|3.982300|0.116108|5.119863|10.551311|7.608493|4.961787|7.615108|9.448010|10.846407|26.049700|8.982220|7.321998|5.665494|4.331238|3.996793|4.451943|5.930333|99.509148|4.455618|0.079516|0.093630|0.085588|0.049794|0.044578|0.047208|0.063683|0.074756|0.098659|0.086262|0.113975|0.500000| |1.542496|1.442919|1.482962|1.652866|1.810544|1.731144|2.050501|1.955548|2.342282|0.045198|2.399770|2.645924|0.074543|3.184583|5.407763|4.503791|3.557860|5.329465|6.494804|10.613203|12.388088|17.574356|8.887960|7.278779|4.763219|3.989450|4.186906|5.600917|97.620448|3.130406|0.057794|0.064709|0.062278|0.041197|0.037145|0.038802|0.050642|0.056766|0.071494|0.064965|0.091771|0.199037|0.500000| |1.543264|1.435108|1.460167|1.614447|1.775879|1.723691|1.977861|1.863748|2.256023|0.043390|2.305059|2.611532|0.072790|3.194592|5.377348|4.736006|3.783136|5.493168|7.416035|13.475781|12.599761|17.637648|8.853069|5.777241|4.251230|3.980314|4.651809|6.896731|97.462630|3.196463|0.058410|0.067381|0.064270|0.041532|0.037063|0.038112|0.050745|0.053241|0.066641|0.062965|0.099660|0.181036|0.303517|0.500000| |1.421790|1.355262|1.412181|1.570268|1.679656|1.579314|1.905224|1.878467|2.266888|0.044433|2.153542|2.348698|0.068684|2.647233|4.350986|3.235227|2.658507|4.280103|3.918717|6.250037|7.143450|6.990875|8.913222|17.707878|8.949493|5.674173|4.955941|5.654412|130.389453|2.795776|0.052803|0.058127|0.054476|0.037707|0.035015|0.037406|0.045281|0.055628|0.064577|0.056894|0.068008|0.147805|0.222501|0.148006|0.500000| |1.300539|1.257659|1.317801|1.450577|1.520558|1.424521|1.701909|1.713020|2.106090|0.041853|1.859132|2.029573|0.060465|2.188793|3.462246|2.478178|2.112438|3.524329|2.801747|4.538383|4.738772|4.085371|5.625981|8.892767|17.754410|8.932236|5.640778|4.958382|219.873476|2.485620|0.047758|0.052347|0.047991|0.034458|0.032711|0.035297|0.040283|0.050884|0.054855|0.048640|0.054359|0.101838|0.113207|0.098208|0.215623|0.500000| 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