Version2.4 2021-05-20T07:03:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 06-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccccc1N2CCN(CC2)C[C@@H](COc3c(cc(cc3F)Br)F)O C23224666 RHF 6-31G(d) (6D,7F) COc1ccccc1N2CCN(CC2)C[C@@H](COc3c(cc(cc3F)Br)F)O C01[X(C20H23Br1F2N2O3)] 147 C1 481 COc1ccccc1N1CCN(CC1)C[C@@H](COc1c(F)cc(cc1F)Br)O COc1ccccc1N1CCN(CC1)C[C@@H](COc1c(F)cc(cc1F)Br)O COc1ccccc1N2CCN(CC2)C[C@H](O)COc3c(F)cc(Br)cc3F InChIKey=ICWJQYTVIXTYHB-HNNXBMFYSA-N InChI=1S/C20H23BrF2N2O3/c1-27-19-5-3-2-4-18(19)25-8-6-24(7-9-25)12-15(26)13-28-20-16(22)10-14(21)11-17(20)23/h2-5,10-11,15,26H,6-9,12-13H2,1H3/t15-/m0/s1 InChI=1/C20H23BrF2N2O3/c1-27-19-5-3-2-4-18(19)25-8-6-24(7-9-25)12-15(26)13-28-20-16(22)10-14(21)11-17(20)23/h2-5,10-11,15,26H,6-9,12-13H2,1H3/t15-/m0/s1 COc1ccccc1N2CCN(CC2)C[C@@H](COc3c(cc(cc3F)Br)F)O C01[X(C20H23Br1F2N2O3)] 147 C01 481 COc1ccccc1N1CCN(CC1)C[C@@H](COc1c(F)cc(cc1F)Br)O CO[C]1[CH][CH][CH][CH][C]1[N@@]1CCN(CC1)C[C@@H](CO[C]1[C]([CH][C]([CH][C]1F)Br)F)O CO[C]1[CH][CH][CH][CH][C]1N2CCN(CC2)C[C@H](O)CO[C]3[C](F)[CH][C](Br)[CH][C]3F InChIKey=ICWJQYTVIXTYHB-HNNXBMFYSA-N InChI=1S/C20H23BrF2N2O3/c1-27-19-5-3-2-4-18(19)25-8-6-24(7-9-25)12-15(26)13-28-20-16(22)10-14(21)11-17(20)23/h2-5,10-11,15,26H,6-9,12-13H2,1H3/t15-/m0/s1 InChI=1/C20H23BrF2N2O3/c1-27-19-5-3-2-4-18(19)25-8-6-24(7-9-25)12-15(26)13-28-20-16(22)10-14(21)11-17(20)23/h2-5,10-11,15,26H,6-9,12-13H2,1H3/t15-/m0/s1 2906.9716324030 -3872.930956 1-A 30007.6700 117 364 481 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.07612 -64.48754 -58.62708 -58.62518 -58.62506 -26.32887 -26.32467 -20.58962 -20.58847 -20.54422 -15.56204 -15.55599 -11.34661 -11.34577 -11.31898 -11.31058 -11.29498 -11.28475 -11.28366 -11.27662 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343.4451 366.3196 393.7657 399.4208 408.4610 459.6500 466.3481 503.9390 525.5441 529.7837 549.2447 555.4686 558.0143 573.2108 599.6637 626.8062 637.7265 642.1704 654.3840 670.8569 675.0572 706.9198 796.8047 807.8967 829.4856 850.7172 859.5196 868.1773 886.3329 945.9596 949.4300 968.5247 971.2711 985.0040 995.5696 1021.0929 1021.6933 1035.1727 1055.3419 1098.6328 1100.8516 1138.3386 1145.4513 1156.1361 1159.4465 1173.8250 1181.7037 1185.1257 1198.9190 1200.6633 1224.2710 1228.5595 1237.1891 1249.4103 1277.1660 1284.0833 1286.2983 1293.8694 1313.8565 1330.9422 1339.7731 1343.7860 1355.3237 1358.6549 1382.5119 1395.1641 1404.0629 1423.6809 1433.7675 1437.2688 1447.6943 1467.1204 1467.6959 1481.4029 1496.0325 1510.6968 1540.6737 1547.0249 1563.4447 1573.9213 1593.3130 1594.3044 1614.4881 1629.9677 1636.7502 1638.2505 1642.6405 1648.0531 1651.7239 1654.2094 1656.7062 1661.4833 1665.7359 1687.4681 1694.2049 1788.4126 1791.9325 1802.1728 1815.5286 3134.2823 3141.4031 3147.6866 3149.2052 3159.7416 3203.0543 3206.8372 3218.7130 3242.4183 3255.4760 3266.9538 3268.4029 3269.2472 3277.1565 3319.2346 3324.1323 3361.2452 3378.7184 3395.2167 3406.4168 3423.8157 3423.9790 4059.3028 7.5463 7.5329 7.9134 6.4330 4.7027 6.8562 3.0724 5.6403 3.5945 4.0687 5.7943 4.6053 4.1234 9.9851 12.2776 3.7458 3.3932 4.4165 3.3071 4.3905 1.5432 13.4646 1.8898 7.4327 2.9476 4.2513 3.1247 6.4016 2.7883 3.1897 2.1955 4.1744 1.3732 2.9093 2.5067 3.2280 7.5989 5.6124 4.9464 4.1050 4.0466 3.6255 4.4069 4.7411 3.8336 6.0109 2.9255 6.8292 3.4435 3.8817 1.2819 7.4469 4.7571 2.9121 7.4720 1.5362 1.4584 1.4095 2.5810 1.4238 3.1211 2.1013 1.9533 1.4674 1.3552 2.5554 2.6573 2.6538 2.8437 9.0185 3.0488 2.8652 1.8293 1.7736 2.0221 7.6816 2.6427 2.0004 2.1606 2.6387 2.8249 2.7087 1.2681 1.4964 1.6996 1.6056 1.1923 1.4538 1.8487 1.3284 4.5037 1.4128 1.8931 1.1215 1.7725 1.5209 4.1945 1.4913 1.4505 1.4675 1.2903 1.4022 1.3288 1.4537 1.3975 1.7183 5.8801 1.8013 1.7086 1.3158 1.1381 1.0983 1.1018 1.0490 1.1020 1.1114 1.0674 1.1115 2.6246 4.8346 5.8251 8.7576 5.4660 8.3899 1.0743 1.0747 1.0700 1.0722 1.0712 1.0844 1.0343 1.0594 1.0945 1.0929 1.0924 1.0914 1.1069 1.1063 1.0899 1.1019 1.0872 1.0935 1.0944 1.0938 1.0945 1.0944 1.0656 0.0003 0.0006 0.0014 0.0032 0.0052 0.0101 0.0082 0.0201 0.0146 0.0235 0.0443 0.0424 0.0697 0.2154 0.2941 0.0992 0.0972 0.1508 0.1409 0.2090 0.0739 0.6812 0.1029 0.4527 0.1890 0.2955 0.2470 0.5848 0.2621 0.3136 0.2733 0.5349 0.2055 0.4734 0.4145 0.5737 1.3814 1.0296 0.9576 0.8697 0.9367 0.8687 1.0707 1.1962 1.0165 1.6139 0.8614 2.5546 1.3242 1.5736 0.5466 3.2414 2.1126 1.3479 3.9394 0.8159 0.8060 0.7834 1.4754 0.8315 1.9173 1.2923 1.2333 0.9629 0.9637 1.8246 2.0288 2.0515 2.2395 7.1431 2.4751 2.3573 1.5137 1.5020 1.7175 6.7836 2.3501 1.8040 1.9872 2.5359 2.7444 2.6405 1.2508 1.5219 1.7738 1.6981 1.2686 1.5734 2.0107 1.4959 5.1650 1.6410 2.2607 1.3583 2.1573 1.8780 5.3194 1.8928 1.8754 1.9351 1.7350 1.9610 1.8738 2.0936 2.0397 2.5701 8.8060 2.7664 2.6746 2.0769 1.7997 1.7461 1.7631 1.6862 1.7767 1.7972 1.7361 1.8170 4.4033 8.1760 10.9772 16.5683 10.4595 16.2934 6.2182 6.2488 6.2459 6.2652 6.3013 6.5547 6.2670 6.4668 6.7795 6.8244 6.8691 6.8693 6.9706 7.0001 7.0746 7.1736 7.2373 7.3548 7.4332 7.4777 7.5592 7.5596 10.3451 0.0629 0.1210 0.0615 0.4504 1.0387 0.3546 3.5052 1.5965 3.3225 0.8407 0.8745 0.0970 1.3550 1.3835 0.9443 2.7432 0.2975 1.3193 0.6747 0.0134 0.5066 0.4478 0.6574 3.1352 2.4152 1.9339 0.4797 2.3916 10.3862 5.0664 5.3385 4.3521 87.5403 1.3987 6.6897 2.2340 2.6508 13.4883 10.9947 1.3040 2.3230 9.7871 3.1549 0.0200 7.8738 7.2389 0.7262 8.0846 6.4289 7.3886 72.1232 74.3733 5.9207 6.8105 38.2541 0.6303 1.4102 52.8219 16.2664 0.2359 26.7987 17.4538 3.6320 9.9022 9.8907 109.6758 12.9339 39.1013 5.4553 109.4645 95.4575 49.5500 11.4711 7.7925 13.2824 4.8718 29.3467 48.1977 2.9369 35.8327 44.5981 46.1899 3.3093 13.9584 20.5531 20.6930 12.4386 12.5730 125.0044 33.7472 223.2011 57.7466 104.3919 49.7664 136.9755 10.9142 26.9369 36.4748 147.1127 4.9760 1.2002 16.4555 11.4997 36.0277 36.1704 1.4600 87.3756 40.4121 33.7510 9.5546 9.7722 2.2202 3.1947 4.6906 2.0444 22.8869 32.1388 6.0500 176.2312 357.6151 5.5206 117.9007 28.6655 16.8798 27.3615 35.7841 22.7445 11.0918 163.2879 24.3569 56.7293 34.9951 1.9118 69.8680 67.4175 10.2791 67.3804 56.3130 17.3794 37.9854 1.0679 33.5047 24.1619 14.0604 1.3527 0.1971 132.8912 0.1020 0.1396 0.3415 1.2427 2.1521 1.2995 0.5490 0.2118 1.8094 3.1649 1.1490 1.0695 1.5425 0.2412 0.6351 0.4735 1.3997 0.6071 1.7149 3.1576 0.3549 2.8279 0.2144 0.3716 1.0932 1.2622 0.8434 1.9929 0.1986 0.6407 1.2303 0.9326 3.5447 2.2419 1.3124 0.7832 2.3851 3.8230 3.4502 2.8218 2.0991 0.8391 2.9461 0.1098 0.7062 2.8308 2.2723 1.0764 21.7755 1.2928 1.6716 4.7791 3.8383 9.9233 5.8431 2.4721 2.9574 0.7553 12.8336 1.6396 3.7295 3.5788 0.7411 1.5751 0.4845 3.3779 9.0337 19.8505 1.9164 0.3722 15.9787 7.5473 3.8673 22.0873 3.0896 0.3614 27.7843 1.4590 1.1931 13.4067 6.5130 1.3832 4.7077 2.5765 9.7943 5.1740 10.0170 1.0824 5.5512 3.0754 5.4482 6.1387 7.2842 16.7519 19.1841 2.8941 4.1577 1.4982 1.7269 29.1843 3.1916 0.8437 3.5694 1.0144 6.5145 5.2086 0.5053 1.3479 1.0034 6.7523 6.9647 13.6215 1.4900 20.6623 21.0370 5.1757 11.6595 16.9861 13.3832 5.8744 8.1156 1.0979 74.3703 88.1650 6.5708 128.4107 15.3317 20.0391 65.1087 61.2400 99.4419 55.0807 10.9785 84.9810 47.1149 128.7360 57.4863 26.0526 59.8552 88.8857 60.5250 128.1078 85.4627 161.7289 103.9760 33.4454 97.7334 0.7458 0.7494 0.7444 0.7418 0.7442 0.6926 0.7170 0.6553 0.7119 0.7294 0.4429 0.3087 0.4510 0.6720 0.7499 0.7156 0.4438 0.6822 0.5152 0.7494 0.5995 0.3565 0.7500 0.6786 0.5779 0.3023 0.7475 0.2195 0.6866 0.3737 0.0346 0.6237 0.4521 0.6266 0.3495 0.1368 0.7481 0.1052 0.7330 0.1730 0.3183 0.4853 0.5830 0.7447 0.4644 0.7483 0.4196 0.4545 0.0827 0.1294 0.3157 0.2005 0.3621 0.2980 0.1672 0.5707 0.6350 0.4146 0.0697 0.7496 0.3342 0.6886 0.7387 0.7355 0.7441 0.6272 0.3358 0.3454 0.6648 0.7459 0.5946 0.6915 0.3056 0.0973 0.5707 0.7340 0.4120 0.2342 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18.99840 78.91834 18.99840 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 1.00783 1.00783 1.00783 3116.6443 56132.5603 58207.7896 0.99999 -0.00376 -0.00092 0.00375 0.99991 -0.01268 0.00097 0.01268 0.99992 1 0.02779 0.00154 0.00149 0.57907 0.03215 0.03101 12.06 16.92 25.37 41.77 62.07 71.86 96.59 112.01 119.34 142.33 163.86 179.88 243.67 275.34 290.13 305.06 317.18 346.38 386.92 408.94 410.23 421.60 437.48 462.59 474.70 494.14 527.05 566.54 574.68 587.68 661.33 670.97 725.06 756.14 762.24 790.24 799.20 802.86 824.72 862.78 901.83 917.55 923.94 941.51 965.21 971.26 1017.10 1146.42 1162.38 1193.44 1223.99 1236.66 1249.11 1275.24 1361.02 1366.02 1393.49 1397.44 1417.20 1432.40 1469.12 1469.99 1489.38 1518.40 1580.69 1583.88 1637.82 1648.05 1663.42 1668.18 1688.87 1700.21 1705.13 1724.98 1727.49 1761.45 1767.62 1780.04 1797.62 1837.56 1847.51 1850.70 1861.59 1890.35 1914.93 1927.63 1933.41 1950.01 1954.80 1989.13 2007.33 2020.13 2048.36 2062.87 2067.91 2082.91 2110.86 2111.69 2131.41 2152.46 2173.56 2216.69 2225.82 2249.45 2264.52 2292.42 2293.85 2322.89 2345.16 2354.92 2357.08 2363.39 2371.18 2376.46 2380.04 2383.63 2390.50 2396.62 2427.89 2437.58 2573.13 2578.19 2592.92 2612.14 4509.53 4519.78 4528.82 4531.00 4546.16 4608.48 4613.92 4631.01 4665.12 4683.90 4700.42 4702.50 4703.72 4715.10 4775.64 4782.68 4836.08 4861.22 4884.96 4901.07 4926.11 4926.34 5840.43 0.442139 0.466992 0.467937 0.381506 -3872.488817 -3872.463964 -3872.463019 -3872.549450 2.898910D-04 MUNgauss RevisionA2.1 retrievium 20-May-2021 DUDE COc1ccccc1N2CCN(CC2)C[C@@H](COc3c(cc(cc3F)Br)F)O C23224666 RHF 6-31G(d) (6D,10F) C1 456.086010 |X|Y|Z| 39.411217 21.050909 167.368993 51.783162 22 6 7 8 19 2 1 |36.858105| |13.627043|73.516695| |8.009230|25.078373|36.858105| |6.769446|14.059260|13.785277|36.858105| |4.530519|9.236753|7.911990|13.686741|36.858105| |3.800560|8.200281|6.850274|7.949523|13.860897|36.858105| |3.992157|9.402560|7.953493|6.913481|7.974853|13.686127|36.858105| |5.233531|14.454454|13.519162|7.876126|6.815819|7.859324|13.776665|36.858105| |4.669181|12.606810|7.837614|5.149979|4.525128|5.099809|7.743384|13.457783|53.358707| |4.418682|11.178099|6.108417|4.341103|3.795861|4.105825|5.542423|7.850209|17.821943|36.858105| |3.755546|8.626280|4.379542|3.342475|2.964503|3.153735|3.996467|5.116053|10.647555|12.533152|36.858105| |3.066322|6.814574|3.684937|2.931845|2.712963|2.980115|3.796698|4.496335|9.117823|7.776202|13.077056|53.358707| |3.156515|7.131588|3.996921|3.157560|2.953834|3.311648|4.339544|5.104659|10.685776|6.720582|7.969849|17.823469|36.858105| |3.511883|8.357999|5.166943|3.950512|3.770019|4.473171|6.588444|7.790275|17.911310|7.951087|6.716879|10.600396|12.520947|36.858105| |2.632741|5.545058|2.939701|2.430629|2.259437|2.433547|2.952526|3.379295|6.135664|5.059750|7.846852|17.837233|7.855065|5.064180|36.858105| |2.333119|4.797969|2.567733|2.177495|2.046486|2.196631|2.605987|2.901277|4.975539|4.316917|6.068005|10.552724|5.123845|3.938073|12.444143|36.858105| |2.447424|5.002282|2.632711|2.227634|2.069907|2.193533|2.583985|2.917698|4.953787|4.540994|6.497479|9.321342|4.540818|3.695017|8.812513|17.519507|0.500000| |2.024693|4.046552|2.161469|1.874216|1.770912|1.882248|2.178058|2.384625|3.926363|3.243849|4.223641|6.845696|3.918782|3.101295|7.602008|12.580833|0.250697|36.858105| |1.864546|3.673002|1.968306|1.731511|1.642914|1.736068|1.978788|2.143335|3.432417|2.873323|3.562621|5.366571|3.147920|2.643691|5.113397|8.014510|0.212277|13.454958|73.516695| |1.670051|3.240458|1.738793|1.549653|1.476040|1.551023|1.743509|1.871590|2.938513|2.399718|2.882210|4.281137|2.648250|2.260660|3.942075|5.248873|0.139625|8.133036|25.159756|36.858105| |1.519347|2.942287|1.599241|1.439466|1.385856|1.463449|1.634703|1.727720|2.678624|2.147640|2.503996|3.771354|2.408380|2.087766|3.353695|4.237970|0.109239|5.914921|14.196761|13.760198|36.858105| |1.382692|2.648696|1.439835|1.308032|1.261711|1.325027|1.464432|1.540668|2.356065|1.866240|2.138291|3.168073|2.075649|1.825140|2.748201|3.274900|0.086198|4.271409|9.265501|7.858289|13.814032|36.858105| |1.363779|2.588977|1.395381|1.269609|1.217470|1.268040|1.394940|1.476955|2.250332|1.783611|2.047130|2.971756|1.952989|1.720890|2.572125|2.997900|0.080990|3.856652|8.211065|6.854716|8.041155|13.788141|36.858105| |1.465872|2.777010|1.480662|1.339478|1.273581|1.319644|1.455811|1.558539|2.389065|1.912572|2.229126|3.187735|2.066014|1.806879|2.796463|3.278377|0.090756|4.283502|9.269818|7.852360|6.911323|7.900191|13.785925|36.858105| |1.629005|3.116787|1.654357|1.480655|1.401219|1.456310|1.622938|1.752387|2.726196|2.217367|2.649753|3.803829|2.393631|2.061083|3.440535|4.245638|0.118757|5.947999|14.220934|13.763495|8.080842|6.922541|8.051251|13.822267|36.858105| |1.764682|3.361156|1.757643|1.563691|1.463801|1.509461|1.684173|1.843586|2.880739|2.371594|2.881660|4.005079|2.488998|2.137841|3.625201|4.382930|0.129706|5.749752|12.488284|8.199638|5.344939|4.674287|5.329919|8.184050|14.392176|97.533100| |1.209067|2.272366|1.228584|1.129607|1.087257|1.127398|1.226962|1.290351|1.937978|1.517004|1.706133|2.451763|1.648370|1.476379|2.064315|2.314334|0.062878|2.804903|5.628454|4.077692|4.624432|6.715545|10.065239|6.716113|4.627084|8.303782|2539.412838| |1.520450|2.969462|1.633901|1.471849|1.429215|1.524432|1.709373|1.787267|2.771592|2.211112|2.545822|3.927867|2.520013|2.196208|3.430148|4.360703|0.108444|5.683953|12.440111|8.197933|14.430793|8.193013|5.332052|4.673223|5.347002|9.227262|125.642606|97.533100| |2.187192|4.519700|2.500693|2.147900|2.062795|2.257264|2.685743|2.890438|4.858839|4.154027|5.194670|9.292421|4.863671|3.986044|7.950372|13.648947|0.258696|8.067408|11.818686|4.656012|4.126381|3.180504|2.810074|2.942510|3.651730|8.042813|75.002470|10.448542|73.516695| |17.641261|17.016960|5.880170|4.925942|3.626723|3.188066|3.413942|4.400295|5.821659|4.234468|3.845061|4.211064|3.119375|3.308602|2.719927|2.407283|0.070782|2.104001|3.441374|1.736504|1.566602|1.426953|1.416986|1.535283|1.709676|4.214073|42.674986|3.496067|3.931677|0.500000| |17.555452|16.428602|6.986908|6.753354|4.579832|3.732288|3.778447|4.709087|5.583134|4.060967|3.405607|3.801955|2.814889|3.146231|2.414382|2.194711|0.064470|1.910546|3.173761|1.602696|1.462298|1.333884|1.315895|1.411822|1.564226|3.805400|39.824417|3.295335|3.699636|0.300052|0.500000| |17.560178|16.446769|7.070114|6.786431|4.619965|3.775033|3.825592|4.773298|5.663854|3.748332|3.258078|3.782532|2.943910|3.282659|2.417231|2.133568|0.061298|1.877374|3.067963|1.559829|1.430020|1.309030|1.291462|1.381377|1.523492|3.689349|39.228934|3.224285|3.577098|0.300000|0.299005|0.500000| |7.577230|12.629127|8.918794|17.763226|8.942412|5.669327|4.976694|5.611441|5.680832|3.710005|2.992076|3.558156|2.770347|3.304849|2.223200|2.009774|0.057475|1.752918|2.899104|1.470217|1.364642|1.247317|1.217874|1.287760|1.416802|3.379707|37.067655|3.119709|3.493312|0.147491|0.229116|0.226530|0.500000| |3.934420|7.462214|5.644630|8.921972|17.717724|8.930574|5.652053|4.922360|4.906416|3.141918|2.545979|3.202878|2.536342|3.121542|2.003927|1.836720|0.051631|1.610872|2.677765|1.364329|1.287056|1.179053|1.140107|1.189543|1.300376|3.049574|34.879056|2.982467|3.295698|0.089404|0.113546|0.114205|0.216912|0.500000| |3.139374|6.507276|4.940679|5.642012|8.926115|17.722615|8.900393|5.620035|5.639186|3.468555|2.769260|3.654645|2.970973|3.893652|2.234037|2.042717|0.056306|1.769275|2.918396|1.475644|1.404552|1.276369|1.217752|1.259360|1.382422|3.200504|37.012283|3.308536|3.779791|0.075126|0.086479|0.087367|0.124404|0.214107|0.500000| |3.329850|7.584806|5.649977|4.975026|5.677910|8.943631|17.742288|8.962143|9.629579|5.266230|3.961157|5.435651|4.645473|7.338893|3.083368|2.730185|0.073898|2.271473|3.653824|1.805488|1.705324|1.521077|1.436707|1.489799|1.662470|3.844481|42.875248|4.057287|5.135717|0.082004|0.087742|0.088736|0.107962|0.124485|0.216322|0.500000| |3.705288|8.745784|5.154269|3.970340|3.668148|4.109061|5.516120|6.751963|12.291267|17.433660|8.872912|9.464046|5.828617|7.075080|4.693787|4.315274|0.125845|3.214387|5.174605|2.415998|2.184502|1.888692|1.786853|1.898912|2.199927|5.218670|51.640537|5.135472|7.923704|0.097625|0.098629|0.089323|0.094220|0.085326|0.098964|0.154345|0.500000| |5.359902|13.868572|6.863827|4.787427|3.960128|4.038948|5.104563|7.362910|12.482979|17.651236|8.929629|7.686257|5.019572|5.728622|4.185483|3.721855|0.112388|2.913124|4.705087|2.242926|2.002044|1.758596|1.699139|1.832271|2.110087|5.137544|49.567797|4.581607|6.259242|0.142234|0.139410|0.118855|0.116055|0.091295|0.093591|0.127038|0.300874|0.500000| |3.401793|7.403171|3.758189|2.991271|2.676809|2.814939|3.438791|4.201068|7.706307|8.928226|17.583363|12.442626|5.722421|5.007042|7.220529|6.788199|0.234407|4.578380|7.130535|3.158676|2.685663|2.270419|2.178861|2.398542|2.899763|7.203249|61.094934|6.086789|9.989838|0.098076|0.088455|0.081617|0.075846|0.064960|0.069717|0.094960|0.217960|0.214238|0.500000| |4.156347|9.415188|4.428300|3.356893|2.898658|2.996020|3.697290|4.831977|9.544676|8.901721|17.442216|12.287325|7.090808|5.834975|6.974286|5.186529|0.153604|3.935945|5.880147|2.749239|2.377460|2.059716|2.002302|2.201249|2.597228|6.472640|57.224726|5.339311|7.577466|0.123282|0.101091|0.099639|0.085094|0.069519|0.072717|0.098993|0.174020|0.219008|0.300943|0.500000| |2.694972|5.863726|3.349609|2.765708|2.660373|3.011850|3.827227|4.184524|7.721634|5.006830|5.729805|12.501346|17.567932|8.914821|7.260950|4.974618|0.116551|3.980926|5.618354|2.689329|2.495930|2.148480|1.996543|2.082823|2.396672|5.486532|57.356788|5.977829|8.837612|0.073904|0.067745|0.071060|0.068042|0.064539|0.077223|0.117830|0.130619|0.109897|0.127849|0.143914|0.500000| |3.353958|7.490145|4.019217|3.163285|2.891096|3.142027|3.985775|4.828483|9.586418|5.844554|7.075148|12.258128|17.441729|8.888569|6.956526|4.521780|0.114261|3.666769|5.240658|2.530849|2.288469|1.998731|1.907621|2.033910|2.340414|5.547257|55.197138|5.284516|7.214645|0.093741|0.080999|0.087866|0.078260|0.069314|0.077764|0.113197|0.133729|0.131318|0.143530|0.209382|0.300535|0.500000| |3.402326|7.880220|5.024845|3.997609|3.913139|4.710317|6.757644|7.279854|12.513724|5.721440|5.005572|7.681724|8.904692|17.585920|4.183117|3.314306|0.086154|2.736986|4.180093|2.053894|1.919055|1.699465|1.607467|1.678266|1.889281|4.388346|47.483797|4.534470|5.945728|0.088006|0.083984|0.091588|0.092668|0.090255|0.115007|0.209567|0.143776|0.128023|0.109714|0.130749|0.213697|0.218073|0.500000| |3.085633|7.088766|4.494812|3.629577|3.621349|4.466411|6.545272|6.646177|12.225610|7.047116|5.844454|9.543612|8.924460|17.436499|4.725573|3.937449|0.101888|3.081231|4.746834|2.273974|2.124696|1.848840|1.724708|1.794343|2.044781|4.711223|50.290897|5.113541|7.579867|0.080499|0.079278|0.080096|0.084584|0.084332|0.112016|0.232088|0.208344|0.143279|0.130993|0.133867|0.219466|0.174452|0.300616|0.500000| |2.736371|5.665671|2.905098|2.399946|2.194270|2.315372|2.764750|3.222193|5.746464|4.688531|7.337329|12.234574|6.564886|4.464161|17.443595|8.776641|0.213091|6.857482|8.491312|3.833604|3.192078|2.673471|2.572788|2.862631|3.521064|8.704404|70.642077|7.064980|10.139754|0.080377|0.068964|0.069711|0.061781|0.054276|0.058715|0.078275|0.115528|0.113348|0.189443|0.215337|0.162076|0.188634|0.106238|0.111370|0.500000| |2.401600|5.005747|2.708836|2.278168|2.151186|2.337214|2.815782|3.130891|5.521017|4.227359|5.732734|12.552007|7.687178|4.857889|17.559635|8.941405|0.174346|7.125097|8.411517|3.829364|3.391720|2.795843|2.580667|2.745241|3.304483|7.554150|70.894947|7.969513|12.708382|0.068312|0.061171|0.062404|0.057872|0.053311|0.060322|0.083021|0.111198|0.098229|0.144011|0.147581|0.237808|0.190311|0.116628|0.127579|0.301527|0.500000| |2.059280|4.073940|2.141324|1.854714|1.736062|1.825319|2.100091|2.325292|3.819299|3.119594|4.109296|6.387415|3.776837|2.966883|7.163556|8.865804|0.209584|17.547616|16.540294|7.274030|5.196363|4.041606|3.873976|4.517445|6.315251|15.026658|96.814881|10.484164|10.268764|0.060195|0.053615|0.053140|0.048528|0.043937|0.047451|0.060091|0.083449|0.079147|0.121994|0.112173|0.104684|0.102748|0.073670|0.079746|0.212724|0.185005|0.500000| |1.899092|3.795048|2.056387|1.796979|1.716527|1.838696|2.123336|2.287198|3.733040|2.983503|3.738555|6.312841|3.845009|3.039394|6.703654|8.905490|0.175983|17.579393|16.486767|7.257384|6.242836|4.486891|3.867068|4.050112|5.221236|10.589061|96.684050|14.677837|13.406259|0.054354|0.049731|0.049426|0.046564|0.043490|0.048393|0.062210|0.082757|0.073860|0.107816|0.096864|0.114077|0.099227|0.075709|0.084784|0.161592|0.205050|0.299057|0.500000| |1.301683|2.490844|1.363452|1.245830|1.209008|1.272644|1.400473|1.460931|2.217373|1.740791|1.965423|2.921480|1.943020|1.726227|2.486789|2.903090|0.075963|3.626641|7.510632|5.628464|8.963478|17.775957|8.855218|5.618692|4.982546|8.327801|218.306176|16.746163|5.159355|0.037137|0.034945|0.034370|0.032992|0.031478|0.034228|0.040542|0.049163|0.045539|0.057453|0.052467|0.056286|0.051841|0.044940|0.048844|0.066646|0.071082|0.094571|0.108463|0.500000| 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