Version2.4 2021-05-27T00:31:47Z 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 CCCOc1ccc(cc1OCC)[C@@H]2C(=C(C(=O)N2CC=C)[O-])C(=O)c3ccc(cc3)Br C40026040 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1OCC)[C@@H]2C(=C(C(=O)N2CC=C)[O-])C(=O)c3ccc(cc3)Br C01[X(C25H25Br1N1O5)] 165 C1 545 C=CCN1[C@H](c2ccc(c(c2)OCC)OCCC)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)Br C=CCN1[C@H](c2ccc(c(c2)OCC)OCCC)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)Br CCCOc1ccc(cc1OCC)[C@H]2N(CC=C)C(=O)C(=C2C(=O)c3ccc(Br)cc3)[O-] InChIKey=WICUUWAQYGVASK-JOCHJYFZSA-M InChI=1S/C25H26BrNO5/c1-4-13-27-22(17-9-12-19(32-14-5-2)20(15-17)31-6-3)21(24(29)25(27)30)23(28)16-7-10-18(26)11-8-16/h4,7-12,15,22,29H,1,5-6,13-14H2,2-3H3/p-1/t22-/m1/s1 InChI=1/C25H26BrNO5/c1-4-13-27-22(17-9-12-19(32-14-5-2)20(15-17)31-6-3)21(24(29)25(27)30)23(28)16-7-10-18(26)11-8-16/h4,7-12,15,22,29H,1,5-6,13-14H2,2-3H3/p-1/t22-/m1/s1/fC25H25BrNO5/h29h/q-1 CCCOc1ccc(cc1OCC)[C@@H]2C(=C(C(=O)N2CC=C)[O-])C(=O)c3ccc(cc3)Br C01[X(C25H25Br1N1O5)] 165 C01 545 C=CCN1[C@H](c2ccc(c(c2)OCC)OCCC)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)Br C=CCN1[C@H]([C]2[CH][CH][C]([C]([CH]2)OCC)OCCC)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]([CH][CH]1)Br CCCO[C]1[CH][CH][C]([CH][C]1OCC)[C@@H]2[C](C(=O)[C]3[CH][CH][C](Br)[CH][CH]3)C(=O)C(=O)N2CC=C InChIKey=WRWKNCFUNIUQHO-JOCHJYFZSA-N InChI=1S/C25H25BrNO5/c1-4-13-27-22(17-9-12-19(32-14-5-2)20(15-17)31-6-3)21(24(29)25(27)30)23(28)16-7-10-18(26)11-8-16/h4,7-12,15,22H,1,5-6,13-14H2,2-3H3/t22-/m1/s1 InChI=1/C25H25BrNO5/c1-4-13-27-22(17-9-12-19(32-14-5-2)20(15-17)31-6-3)21(24(29)25(27)30)23(28)16-7-10-18(26)11-8-16/h4,7-12,15,22H,1,5-6,13-14H2,2-3H3/t22-/m1/s1 3773.7037652294 -3959.9178327 1-A 17419.5696 129 416 545 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1593.3552 1597.1954 1605.2738 1628.2833 1631.7376 1638.7302 1645.2567 1645.3572 1655.2014 1660.3520 1679.2592 1684.9772 1706.2288 1759.1495 1790.7564 1792.8507 1804.2462 1813.3121 1872.3067 1947.2023 1963.3436 3180.7629 3185.8499 3196.7110 3198.3578 3211.1683 3214.1145 3219.2586 3233.6315 3241.7719 3256.6793 3261.9388 3269.7458 3274.6864 3290.5868 3291.8635 3315.5436 3338.2209 3374.9345 3380.6669 3385.3402 3393.2367 3394.5753 3398.5404 3400.2466 3402.6619 5.1203 4.9123 4.6016 7.7469 4.4041 6.4621 5.0779 4.5327 4.3363 4.8138 3.2698 2.0039 4.0224 2.9390 2.6746 3.0469 5.3657 3.0786 4.1722 7.7626 4.9081 3.8969 6.4512 3.7954 1.2680 4.6120 1.5048 4.8449 3.3833 4.7379 4.0072 5.0993 7.9389 5.2411 5.2899 4.2467 3.3426 5.8387 3.8917 3.2435 4.0943 4.4414 3.2100 9.1830 2.5455 4.3929 5.1259 5.4409 6.8471 5.1160 6.6041 4.3748 2.6970 4.9010 4.7614 3.8213 1.0870 5.2529 3.8903 4.8381 5.7731 6.3977 1.1012 6.4105 1.4831 1.2782 1.9083 1.9904 1.7541 1.1400 1.6869 1.8105 1.9844 1.5729 1.9306 1.5775 3.2131 1.9342 2.7852 1.4837 2.7979 1.3292 3.1259 2.9738 2.4534 3.2396 1.8513 3.5432 2.3550 2.2778 2.6294 3.5467 2.0439 2.3853 1.2131 1.5360 1.6056 2.4762 2.8779 4.5235 3.7763 2.3027 1.2074 1.4422 1.3133 1.2319 1.2994 2.5209 1.0919 1.9056 1.3740 1.7063 1.3280 2.9018 1.2410 2.7322 1.2497 1.4107 1.4789 1.2716 2.5766 3.2443 1.0421 1.1402 1.0551 1.0414 1.0557 1.1006 2.3029 1.1592 1.1288 2.4591 6.8245 6.4994 5.5776 11.8250 5.8487 4.2503 12.7986 12.1761 1.0549 1.0838 1.0379 1.0607 1.0403 1.1072 1.0627 1.0645 1.1041 1.1007 1.1009 1.1060 1.1012 1.1049 1.1004 1.0602 1.0950 1.0893 1.0890 1.0896 1.1157 1.0957 1.0912 1.0934 1.0961 0.0005 0.0011 0.0017 0.0040 0.0026 0.0080 0.0076 0.0078 0.0099 0.0136 0.0123 0.0094 0.0206 0.0187 0.0188 0.0243 0.0541 0.0387 0.0611 0.1482 0.1027 0.0967 0.2134 0.1407 0.0486 0.1907 0.0667 0.2444 0.1768 0.2721 0.2384 0.3605 0.5856 0.4558 0.4658 0.4170 0.3346 0.6355 0.4780 0.4040 0.5281 0.6798 0.5146 1.8442 0.5200 0.9688 1.1588 1.3212 1.8486 1.4096 1.8531 1.3552 0.9202 1.7847 1.7892 1.4945 0.4399 2.2240 1.6715 2.1466 2.6071 3.0178 0.5305 3.1604 0.7577 0.6801 1.0406 1.1303 1.0011 0.6567 0.9841 1.0572 1.2299 1.0367 1.2859 1.0536 2.2357 1.3680 2.0039 1.0752 2.0530 1.0351 2.4976 2.3832 2.0001 2.6980 1.5478 3.1172 2.1193 2.0693 2.4561 3.3998 1.9652 2.3382 1.2040 1.5320 1.6085 2.5039 3.0281 4.8746 4.2274 2.5815 1.3807 1.7337 1.5815 1.5002 1.5957 3.1008 1.3487 2.3939 1.7480 2.2364 1.7838 4.0277 1.7411 3.8455 1.8022 2.0890 2.2040 1.9021 3.8726 4.9257 1.6279 1.7886 1.6694 1.6609 1.6838 1.7765 3.7405 1.9259 1.8883 4.2180 12.4430 12.2799 10.5629 22.6800 11.3306 8.7786 28.5913 27.6535 6.2884 6.4811 6.2490 6.3926 6.3201 6.7393 6.4889 6.5581 6.8365 6.8781 6.9018 6.9666 6.9576 7.0490 7.0255 6.8667 7.1891 7.3104 7.3328 7.3572 7.5688 7.4393 7.4256 7.4481 7.4769 0.3293 0.6203 0.7112 0.2712 0.1632 1.0256 5.0748 2.2274 1.0451 1.5397 0.4349 0.3591 0.8349 0.0988 0.4844 2.4744 0.3304 1.3521 3.9323 1.6789 0.1949 1.0098 1.3125 0.8066 0.0671 0.9288 0.8481 0.0410 1.7129 1.0232 2.2539 1.3981 4.0917 4.7567 4.7391 6.5613 8.8674 10.5526 0.9590 0.7796 4.3280 8.9539 0.7764 34.5803 4.4547 1.1660 1.0950 8.8967 22.9318 6.8550 2.9972 34.0743 2.9507 2.1990 13.5440 9.9950 1.2102 45.9942 15.2507 66.0434 2.8813 38.6478 0.7798 26.6329 14.3684 0.9769 31.0279 10.6742 8.3888 2.3219 9.3935 13.1342 17.2198 49.6314 15.3294 4.5833 64.8396 27.7545 2.4618 0.1317 1.9064 12.3449 44.8007 14.3008 18.6206 26.9296 1.0534 20.1597 15.2662 6.7599 9.4105 27.6144 180.6705 27.7374 0.4155 2.8634 1.5974 47.7931 22.2789 114.8687 247.5477 191.0126 0.8829 77.9268 3.7909 38.7452 4.9773 235.2813 5.5393 58.0458 12.4322 46.5834 33.3387 555.3775 11.0443 225.0835 4.2616 87.4609 60.4288 18.9983 219.2889 357.9716 2.7168 31.2054 0.2919 4.4260 2.3977 5.1077 5.0607 50.4488 15.9835 187.5349 8.3528 16.6141 16.1029 461.0750 29.0821 4.3415 701.3084 727.0172 22.7468 52.7454 66.3876 29.7762 33.3181 29.8110 20.2717 30.6735 1.4249 8.1200 63.3653 104.2009 51.2700 58.9568 8.4064 19.9748 8.2254 6.5522 12.6621 2.1733 40.2316 12.5980 21.6674 5.3685 7.3002 0.9269 1.6232 0.8083 1.0360 0.8630 1.2867 2.1081 1.6923 2.1228 6.9141 1.3675 1.0925 3.1820 0.7180 2.2881 1.3012 1.7401 0.2392 0.2841 1.2320 1.0067 2.4396 7.1957 0.8325 0.0483 3.1817 0.7333 0.2546 2.5274 0.7138 3.0757 1.2917 0.7359 0.6747 2.8899 0.8383 5.3073 3.0982 0.5263 0.7901 1.3411 2.1354 0.4798 0.1916 5.0333 3.4590 2.5347 0.1255 3.2845 1.6152 2.8298 6.0775 7.4669 2.2881 6.8385 1.3457 0.0741 6.2604 5.3905 3.0919 1.0470 21.2337 1.0030 3.1422 1.8156 2.8090 1.7822 4.2132 15.1324 0.2883 3.7259 5.5289 3.2614 1.7749 3.7442 2.4292 1.5334 1.5524 2.0105 0.1334 9.1720 3.1561 1.7488 8.4535 3.1132 14.5831 1.0122 12.3683 1.5333 1.9658 7.4522 2.9475 1.5745 1.6106 4.5303 2.0303 2.4847 15.5932 2.5867 16.5964 4.1111 34.4505 0.2550 5.4394 15.3334 4.4317 0.9007 13.5425 23.9154 12.6122 1.0696 9.4431 1.1871 14.3096 0.8242 3.5823 1.6080 2.9427 1.3843 11.8083 0.9332 13.7158 18.8610 11.4823 30.3636 20.9305 16.7261 0.2844 0.5669 9.0671 5.4159 5.7892 3.8588 5.6848 50.1712 71.0131 62.7532 24.4863 64.9787 53.7305 29.7408 30.3738 115.1627 35.8933 138.0588 57.4807 78.8808 63.3907 79.3515 109.4611 110.2140 5.4793 57.9158 24.6808 58.7408 55.7514 98.2560 34.5736 32.5030 40.3518 72.6802 78.0215 1.6715 133.5155 103.5321 0.7271 0.7271 0.7304 0.6987 0.7336 0.7424 0.7500 0.6998 0.7497 0.7498 0.6936 0.7232 0.7454 0.7500 0.7263 0.7500 0.7495 0.7238 0.7262 0.4696 0.5133 0.5062 0.1947 0.7320 0.7366 0.6183 0.4543 0.4004 0.3841 0.5528 0.2275 0.7491 0.6255 0.1107 0.3521 0.7240 0.3351 0.7059 0.5603 0.6704 0.7436 0.7475 0.6948 0.3103 0.7318 0.7344 0.2997 0.4751 0.5692 0.7499 0.7367 0.1876 0.2012 0.3546 0.0510 0.6134 0.5962 0.4322 0.6139 0.3536 0.7470 0.0467 0.3576 0.1544 0.6397 0.4980 0.2314 0.3313 0.3810 0.5922 0.5640 0.1851 0.1473 0.1870 0.7397 0.7158 0.6536 0.3218 0.3208 0.4381 0.5314 0.7093 0.6564 0.0922 0.3741 0.3422 0.2993 0.3971 0.2148 0.2950 0.1407 0.3924 0.1244 0.3189 0.2335 0.2447 0.7144 0.0303 0.7494 0.2062 0.3288 0.3845 0.7455 0.3933 0.4783 0.7225 0.6769 0.1013 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12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16659.7943 19859.3135 27858.7628 0.96696 0.25434 0.01761 -0.25469 0.96678 0.02180 -0.01148 -0.02556 0.99961 1 0.00520 0.00436 0.00311 0.10833 0.09088 0.06478 17.78 27.87 35.89 42.62 45.58 66.12 72.34 77.95 89.38 99.63 114.90 128.06 134.04 149.70 157.30 167.50 188.21 210.14 226.81 258.98 271.09 295.23 340.95 360.93 367.05 381.18 394.75 421.00 428.50 449.18 457.18 498.39 509.10 552.78 556.24 587.33 593.01 618.41 656.89 661.57 673.20 733.35 750.50 840.01 847.18 880.26 891.23 923.66 973.95 983.90 992.91 1043.27 1094.91 1131.12 1149.04 1172.23 1192.48 1219.67 1228.64 1248.55 1259.63 1287.37 1301.02 1316.12 1339.78 1367.26 1384.17 1412.51 1416.04 1422.61 1431.70 1432.31 1475.69 1521.76 1529.76 1531.90 1563.53 1576.39 1589.93 1595.65 1605.65 1654.12 1675.49 1678.00 1692.44 1710.61 1713.94 1758.14 1778.15 1786.59 1811.60 1835.20 1838.00 1855.84 1867.38 1871.94 1876.11 1884.87 1922.72 1945.82 1983.22 1984.64 2004.44 2055.14 2056.94 2068.47 2077.17 2078.88 2083.17 2100.89 2114.23 2145.98 2172.43 2208.34 2220.18 2223.78 2250.96 2280.97 2288.28 2292.48 2298.01 2309.63 2342.74 2347.71 2357.77 2367.16 2367.30 2381.47 2388.88 2416.08 2424.31 2454.88 2531.02 2576.50 2579.51 2595.91 2608.95 2693.83 2801.59 2824.81 4576.41 4583.73 4599.35 4601.72 4620.15 4624.39 4631.80 4652.47 4664.19 4685.64 4693.20 4704.43 4711.54 4734.42 4736.26 4770.33 4802.96 4855.78 4864.03 4870.75 4882.11 4884.04 4889.74 4892.20 4895.67 0.486082 0.516107 0.517051 0.419391 -3959.431750 -3959.401726 -3959.400782 -3959.498442 3.275532D-04 MUNgauss RevisionA2.1 retrievium 27-May-2021 DUDE CCCOc1ccc(cc1OCC)[C@@H]2C(=C(C(=O)N2CC=C)[O-])C(=O)c3ccc(cc3)Br C40026040 RHF 6-31G(d) (6D,10F) C1 498.091609 |X|Y|Z| 90.229329 81.828755 50.822570 72.127924 18 6 7 17 1 |36.858105| |12.465732|36.858105| |7.526501|12.539256|36.858105| |5.109839|8.088910|13.641503|73.516695| |3.890191|5.225174|8.004106|24.965031|36.858105| |3.606385|4.402301|6.717822|13.961116|13.787256|36.858105| |2.859249|3.336889|4.509409|9.200638|7.902134|13.707428|36.858105| |2.517996|2.965729|3.777119|8.143897|6.793833|7.914169|13.809871|36.858105| |2.615051|3.193769|3.985214|9.380391|7.930971|6.930866|8.004041|13.660197|36.858105| |3.140335|4.072764|5.242596|14.467076|13.610340|7.948417|6.867229|7.852786|13.782354|36.858105| |3.103430|4.111071|4.772886|13.040518|8.149626|5.286222|4.616464|5.164091|7.868856|14.067428|73.516695| |2.562067|3.219339|3.551487|8.514556|5.252778|3.992847|3.799029|4.495445|6.685295|7.985971|24.144779|36.858105| |2.511639|3.136540|3.231729|7.369448|4.094809|3.207742|2.984772|3.332674|4.395739|5.234077|14.393843|12.565752|36.858105| |2.102146|2.396069|2.907646|5.951793|4.393243|4.985043|7.498726|12.432464|7.497476|4.980377|6.825605|3.659115|2.833905|36.858105| |1.980298|2.268008|2.687227|5.581755|4.005663|4.210404|5.619950|8.995737|7.456245|4.839439|6.974236|3.959957|3.021740|17.523965|0.500000| |1.974302|2.200648|2.639722|5.198172|3.672410|4.272193|6.070770|7.370531|5.153743|3.913438|5.607811|3.032609|2.449599|12.506207|0.241288|36.858105| |1.842725|2.011899|2.388747|4.561881|3.121550|3.691723|5.020096|5.371576|3.957160|3.199819|4.707580|2.530138|2.107630|7.896977|0.167508|13.453547|36.858105| |1.848878|2.024507|2.403814|4.612689|3.162010|3.721767|5.049431|5.473966|4.047084|3.256486|4.788165|2.556238|2.126400|8.064079|0.172983|8.079230|12.360010|36.858105| |1.731231|1.869869|2.188169|4.125663|2.747190|3.189836|4.052558|4.193125|3.315395|2.786787|4.206059|2.249753|1.913137|5.424074|0.128200|5.407652|7.727387|15.859980|73.516695| |1.993597|2.231967|2.681759|5.321636|3.779288|4.376817|6.220913|7.740401|5.403485|4.053845|5.782315|3.071426|2.475372|13.062337|0.255690|8.187723|8.164546|14.061782|14.916455|53.358707| |1.975472|2.218351|2.629204|5.244555|3.636994|4.015482|5.142686|6.141661|5.016954|3.943880|5.803630|3.085487|2.512463|7.479095|0.190402|5.114732|5.109972|7.768198|11.951716|17.997685|36.858105| |1.774199|1.991045|2.291882|4.602136|3.088436|3.219435|3.879918|4.770945|4.389538|3.488039|5.432065|3.046037|2.508962|5.902847|0.180972|4.314153|4.200679|5.649396|9.209388|10.555294|12.629779|36.858105| |1.773541|2.009185|2.277566|4.643569|3.059565|3.042896|3.489001|4.288928|4.356426|3.563520|5.786901|3.337666|2.760083|4.788627|0.153394|3.579449|3.358334|4.129310|6.796823|7.331125|7.595089|14.442282|36.858105| |1.719611|1.847055|2.162199|4.042852|2.685958|3.146747|4.014023|4.078199|3.197556|2.703265|4.078168|2.200163|1.875177|5.280069|0.122624|7.885766|15.779550|7.970541|11.736358|7.496254|3.979675|3.418325|2.815686|73.516695| |1.957032|2.177726|2.580897|5.063833|3.492717|3.925152|5.086936|5.855805|4.654295|3.720379|5.481352|3.012286|2.461903|7.293456|0.176328|13.379824|7.566576|5.084593|6.950041|6.990212|3.766371|3.376499|2.974109|10.984810|36.858105| |1.865916|2.038824|2.384678|4.549682|3.031716|3.415155|4.183453|4.413175|3.665261|3.118684|4.724783|2.589216|2.184507|5.092130|0.126168|8.059140|6.390773|4.293461|6.219124|5.544280|3.131400|2.831526|2.519016|11.002823|15.691315|73.516695| |2.004079|2.273218|2.662343|5.393990|3.704858|3.865025|4.680927|5.765252|5.281258|4.194443|6.328749|3.617349|2.891941|6.311876|0.176878|7.554445|4.937519|3.948355|5.637245|5.886951|3.439531|3.225654|2.985792|7.417097|12.490949|14.592080|36.858105| |2.168660|2.474001|2.886075|5.837904|3.912083|3.962612|4.429888|5.003540|4.912951|4.311293|6.656157|3.743063|3.051478|4.740713|0.129295|5.272743|3.872107|3.224094|4.771413|4.771069|2.925994|2.723974|2.587319|6.094892|7.571563|11.590831|13.705197|36.858105| |2.147867|2.476186|2.800687|5.756138|3.696017|3.500029|3.685210|4.174574|4.530787|4.217123|7.031682|4.174798|3.475729|3.861296|0.110614|3.967623|3.088179|2.708650|4.113225|4.058021|2.610559|2.500634|2.452777|4.927493|5.012144|7.975042|7.888837|13.773915|36.858105| |1.964608|2.267460|2.521636|5.242000|3.344229|3.106390|3.305517|3.914360|4.438421|4.006402|6.987641|4.525448|3.756699|3.772587|0.114996|3.715128|2.921604|2.632178|4.021232|4.000010|2.629221|2.612976|2.617471|4.631609|4.436252|6.880852|6.878605|7.997908|13.773752|36.858105| |1.831787|2.099406|2.354035|4.878923|3.183816|3.032292|3.372774|4.195806|4.640566|3.870696|6.554070|4.273260|3.453876|4.381788|0.142795|4.264481|3.284128|2.962801|4.472368|4.550449|2.957837|3.022288|3.009912|5.112889|4.978108|7.350179|7.882686|6.876205|7.906188|13.807360|36.858105| |1.850155|2.105096|2.413334|4.949728|3.335775|3.335175|3.936490|5.072249|5.086887|3.965216|6.275393|3.828214|3.045164|5.847561|0.192600|6.054803|4.287361|3.686767|5.366078|5.649594|3.450907|3.447656|3.273358|6.460720|7.471863|9.892153|13.727508|7.976945|6.878982|7.999572|13.734971|36.858105| |1.865201|2.147732|2.291824|4.724913|2.847699|2.568546|2.615761|2.978788|3.449300|3.357025|6.388281|4.361744|4.089494|2.828909|0.085640|2.727155|2.271763|2.116892|3.330106|3.190499|2.188456|2.214369|2.283717|3.677016|3.071071|4.977755|4.072003|4.594784|6.673538|9.974624|6.682998|4.595423|2539.412838| |17.551397|8.787040|5.483761|7.495938|3.298323|3.030589|2.482596|2.238392|2.344874|2.782998|5.023270|2.390766|2.404490|1.900435|0.050260|1.789489|1.674514|1.680670|2.812149|2.458968|1.799745|1.638806|1.649588|2.791088|1.781174|3.029930|1.834921|1.983445|1.989369|1.838089|1.711389|1.712315|60.493078|0.500000| |17.532572|8.761958|6.804513|8.324365|3.731793|3.580094|2.861856|2.493874|2.548431|3.008912|5.190381|2.440254|2.369128|2.094216|0.054474|2.001798|1.870000|1.850130|3.072771|2.687059|1.925937|1.724906|1.708563|3.124420|2.007053|3.439517|2.045039|2.237493|2.201011|1.983374|1.838032|1.864665|63.587063|0.301891|0.500000| |17.530997|8.761219|6.803599|8.325965|3.725039|3.577234|2.855862|2.486945|2.540673|2.998709|5.171261|2.410874|2.337104|2.088922|0.054347|1.955731|1.848916|1.876659|3.150666|2.743762|2.014900|1.795819|1.787910|3.072022|1.911799|3.239033|1.929562|2.054732|2.010134|1.851225|1.750217|1.784621|59.334335|0.301878|0.301592|0.500000| |8.822265|17.550922|8.947047|13.172022|4.933074|4.052077|3.157258|2.878799|3.159537|4.046554|7.560979|3.383029|3.380481|2.340815|0.062203|2.167124|1.959424|1.946380|3.179047|2.918570|2.111486|1.920414|1.946210|3.203549|2.183725|3.644420|2.323858|2.579925|2.640918|2.404961|2.183550|2.155829|78.831289|0.211654|0.209912|0.172476|0.500000| |8.822169|17.549051|8.945885|13.179611|4.917885|4.048119|3.149361|2.868308|3.144993|4.022187|7.502994|3.306645|3.290049|2.333532|0.062017|2.109437|1.935402|1.977157|3.264975|2.991190|2.229576|2.019072|2.065160|3.147560|2.063391|3.409920|2.159466|2.311912|2.330270|2.181040|2.041379|2.035508|71.177839|0.211647|0.172482|0.209904|0.303666|0.500000| |6.865286|8.846346|17.509596|16.532694|7.073246|6.794917|4.603893|3.743008|3.803547|4.757331|7.484419|3.214037|2.905675|2.912473|0.073914|2.626323|2.427829|2.493522|4.080777|3.773338|2.759126|2.363756|2.331410|3.909071|2.505754|4.116738|2.520258|2.658563|2.535706|2.312770|2.206420|2.294360|71.109061|0.140393|0.168597|0.203315|0.174246|0.213108|0.500000| |6.858091|8.842599|17.513850|16.538211|7.126854|6.818596|4.631178|3.768649|3.832094|4.802206|7.548243|3.286657|2.969486|2.927979|0.074264|2.742122|2.476751|2.432749|3.916132|3.630708|2.543503|2.209163|2.163700|4.019528|2.733768|4.555593|2.796877|3.097153|2.957548|2.588877|2.391874|2.473575|78.840326|0.140303|0.203086|0.168389|0.213156|0.174204|0.301292|0.500000| |4.028700|4.701522|7.490064|12.536592|8.926331|17.751597|8.957139|5.655793|4.984871|5.643874|7.578024|3.332044|2.809514|4.082335|0.096745|3.717578|3.374340|3.384268|5.316666|5.139825|3.498453|2.829930|2.665954|5.292179|3.468502|5.594792|3.331166|3.460235|3.074993|2.715986|2.632738|2.875161|78.186457|0.091429|0.113303|0.113472|0.115951|0.116135|0.229302|0.227933|0.500000| |2.660190|2.984751|3.915454|7.436691|5.641730|8.926559|17.732884|8.950937|5.670541|4.950513|6.512644|3.139156|2.556850|6.958259|0.140573|6.477714|5.894377|5.808830|8.247098|8.779541|5.033385|3.716982|3.234645|8.416287|5.203405|7.900557|4.361880|4.050967|3.307586|2.961700|3.050763|3.620706|80.316929|0.064423|0.074945|0.074774|0.078120|0.077930|0.113848|0.114484|0.217193|0.500000| |2.326781|2.799777|3.328551|7.582220|5.644981|4.985066|5.689978|8.950963|17.756224|8.954268|12.617764|7.457089|4.692402|7.026942|0.232914|4.872820|3.745302|3.837389|5.640561|6.937785|4.859850|4.671698|4.852523|5.418181|4.473923|6.243100|5.356618|4.774177|4.612023|4.921099|5.481779|5.793862|129.648352|0.058981|0.062906|0.062693|0.077980|0.077581|0.088268|0.088914|0.108118|0.124757|0.500000| |2.339147|2.872316|3.180847|7.369739|4.677748|3.747823|3.717037|4.563267|6.758593|6.966067|16.508951|17.528548|8.865028|3.857764|0.120172|3.092012|2.597527|2.686608|4.211945|4.480116|3.410602|3.483351|3.980418|3.982182|2.982333|4.511763|3.514539|3.453765|3.722062|4.152418|4.222457|3.854935|133.661213|0.060761|0.061744|0.062236|0.081749|0.082898|0.082710|0.081607|0.086983|0.086130|0.234588|0.500000| |2.425417|2.988792|3.325912|7.721140|4.901884|3.902665|3.833414|4.636253|6.751219|7.199454|16.517141|17.568992|8.860271|3.856780|0.117531|3.274254|2.663847|2.617391|4.047203|4.240140|3.016323|2.981966|3.186854|4.116189|3.367575|5.104617|4.280110|4.534006|5.361825|6.078596|5.457040|4.610128|192.249859|0.062793|0.065419|0.063131|0.088261|0.082906|0.083137|0.088639|0.090480|0.088605|0.218342|0.301150|0.500000| |2.203532|2.667682|2.736261|5.991435|3.392263|2.781735|2.661940|3.002549|3.839203|4.239779|10.261138|8.869382|17.544663|2.655254|0.080003|2.322961|2.006943|2.018240|3.242073|3.170375|2.362323|2.414505|2.676718|3.192377|2.349952|3.724721|2.778579|2.898784|3.352277|3.784426|3.517188|3.009526|150.123203|0.059089|0.058259|0.057330|0.079459|0.077167|0.069389|0.071088|0.068389|0.064468|0.118149|0.213053|0.213022|0.500000| |2.691948|3.394860|3.409559|7.694926|4.084726|3.186436|2.900030|3.143573|4.018909|4.921942|12.977560|8.868165|17.575989|2.656734|0.077194|2.354011|2.029406|2.018873|3.233153|3.151059|2.311445|2.271244|2.443185|3.238390|2.408232|3.850865|2.832210|3.092148|3.589850|3.745696|3.295725|2.906543|142.406010|0.072005|0.070876|0.068211|0.105560|0.097365|0.082891|0.087863|0.078698|0.069403|0.114342|0.173616|0.212467|0.300367|0.500000| |2.575924|3.227690|3.254201|7.347593|3.952058|3.100267|2.848273|3.119830|4.019168|4.844200|12.968612|8.852861|17.564676|2.656428|0.077905|2.282987|1.999274|2.049822|3.314900|3.245328|2.474822|2.470323|2.749993|3.171417|2.254331|3.575629|2.572311|2.673946|2.947814|3.126563|2.953035|2.684982|113.006541|0.069002|0.066278|0.067100|0.094933|0.097381|0.082480|0.081004|0.076363|0.068186|0.116447|0.212279|0.173458|0.299953|0.300937|0.500000| |2.185417|2.494663|3.000221|6.108240|4.326281|4.706341|5.862469|6.935620|5.909850|4.709978|6.761706|3.474830|2.786962|6.881144|0.174773|4.619136|4.375139|5.882571|9.126533|12.497541|17.566074|8.915300|7.234509|6.200119|3.565403|5.284014|3.373376|2.960620|2.677367|2.680501|2.948771|3.351311|76.680774|0.054956|0.058578|0.062067|0.065338|0.070255|0.088271|0.079029|0.110934|0.148972|0.151703|0.107198|0.091835|0.071450|0.070757|0.077099|0.500000| |1.901708|2.098898|2.467533|4.783422|3.222881|3.617542|4.470893|4.837433|4.007958|3.349609|5.033138|2.658533|2.228234|5.615808|0.140519|4.395707|4.767321|7.583934|14.005344|12.744841|17.606569|8.949029|5.993910|6.932035|3.322549|5.093155|2.975955|2.582368|2.309735|2.304808|2.552964|2.942716|66.392634|0.048202|0.051553|0.054444|0.055076|0.058618|0.073040|0.066479|0.091157|0.128302|0.106491|0.080342|0.072008|0.058350|0.057540|0.061527|0.301493|0.500000| |1.630306|1.808489|2.062422|4.079678|2.696990|2.834552|3.406006|4.081710|3.708200|2.999138|4.734744|2.687401|2.256106|5.288271|0.162317|4.231261|4.302422|5.759990|9.805139|9.376246|8.673280|17.660702|9.163083|6.353808|3.328718|5.035081|3.119310|2.602982|2.379338|2.494393|2.918046|3.364239|71.939438|0.042014|0.044317|0.045784|0.048698|0.050652|0.058854|0.055843|0.070436|0.093298|0.109957|0.083948|0.074399|0.061059|0.057295|0.061319|0.172192|0.207691|0.500000| |1.922118|2.207150|2.506599|5.202629|3.429344|3.313575|3.691059|4.515003|4.854247|4.070091|6.676342|3.800532|3.106193|4.598274|0.143246|3.394222|3.125435|3.756394|6.135972|6.731699|6.886779|9.088917|17.681126|4.674550|2.870635|4.329339|2.934806|2.606546|2.500673|2.654879|2.980683|3.170931|79.800214|0.049574|0.050954|0.053835|0.059125|0.063731|0.071388|0.065064|0.079760|0.092336|0.148797|0.129335|0.097199|0.082298|0.075219|0.087462|0.216717|0.152104|0.173534|0.500000| |1.631406|1.836045|2.046141|4.138758|2.665455|2.623882|2.950818|3.555840|3.674146|3.091868|5.189886|3.082168|2.620586|3.977465|0.128957|3.151762|2.975727|3.527043|5.921003|5.864053|5.456396|9.085965|17.698216|4.545552|2.701777|4.130296|2.747219|2.393379|2.304030|2.499521|2.893420|3.077622|75.782926|0.042499|0.043712|0.045534|0.049768|0.052490|0.057765|0.054186|0.064734|0.076740|0.115671|0.102127|0.082389|0.072157|0.064326|0.072489|0.142736|0.129511|0.218250|0.288922|0.500000| |2.282905|2.573007|3.031952|5.949083|3.941111|4.149435|4.547056|4.709374|4.416833|4.059332|6.190839|3.338011|2.788776|4.340154|0.112559|5.002242|3.836858|3.149961|4.703926|4.541538|2.779073|2.529799|2.381749|6.193412|7.098973|12.228815|8.951070|17.739045|8.931243|5.672118|4.955582|5.672247|129.973476|0.057567|0.066460|0.059973|0.074393|0.065659|0.077375|0.093142|0.103615|0.118908|0.113674|0.085111|0.107888|0.072745|0.079693|0.069057|0.078394|0.069373|0.067205|0.066880|0.060951|0.500000| |2.242850|2.581541|2.867499|5.811203|3.580348|3.337767|3.360908|3.629999|3.956595|3.934396|6.780196|3.943717|3.447810|3.277361|0.092198|3.351488|2.712486|2.410811|3.722093|3.574687|2.341698|2.233006|2.205127|4.405456|4.090151|6.818201|5.619996|8.893293|17.744859|8.919038|5.638053|4.957301|219.470887|0.057968|0.064364|0.057552|0.078019|0.066757|0.070912|0.085074|0.083290|0.084255|0.109018|0.095172|0.136846|0.091722|0.102899|0.081231|0.067306|0.058346|0.058936|0.062986|0.057718|0.214232|0.500000| 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