Version2.4 2021-05-21T02:21:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCC[C@@H](c1ccccc1)[NH2+]Cc2cc(ccc2OCc3ccc(cc3Cl)Cl)Br C10435945 RHF 6-31G(d) (6D,7F) CCC[C@@H](c1ccccc1)[NH2+]Cc2cc(ccc2OCc3ccc(cc3Cl)Cl)Br C01[X(C24H25Br1Cl2N1O1)] 156 C1 508 CCC[C@@H](c1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccc(cc1Cl)Cl CCC[C@@H](c1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccc(cc1Cl)Cl CCC[C@H]([NH2+]Cc1cc(Br)ccc1OCc2ccc(Cl)cc2Cl)c3ccccc3 InChIKey=FPDKSWPVOQGZKU-QHCPKHFHSA-O InChI=1S/C24H24BrCl2NO/c1-2-6-23(17-7-4-3-5-8-17)28-15-19-13-20(25)10-12-24(19)29-16-18-9-11-21(26)14-22(18)27/h3-5,7-14,23,28H,2,6,15-16H2,1H3/p+1/t23-/m0/s1 InChI=1/C24H24BrCl2NO/c1-2-6-23(17-7-4-3-5-8-17)28-15-19-13-20(25)10-12-24(19)29-16-18-9-11-21(26)14-22(18)27/h3-5,7-14,23,28H,2,6,15-16H2,1H3/p+1/t23-/m0/s1/fC24H25BrCl2NO/h28H/q+1 CCC[C@@H](c1ccccc1)[NH2+]Cc2cc(ccc2OCc3ccc(cc3Cl)Cl)Br C01[X(C24H25Br1Cl2N1O1)] 156 C01 508 CCC[C@@H](c1ccccc1)[NH2+]Cc1cc(Br)ccc1OCc1ccc(cc1Cl)Cl CCC[C@@H]([C]1[CH][CH][CH][CH][CH]1)[NH2]C[C]1[CH][C]([CH][CH][C]1OC[C]1[CH][CH][C]([CH][C]1Cl)Cl)Br CCC[C@H]([NH2]C[C]1[CH][C](Br)[CH][CH][C]1OC[C]2[CH][CH][C](Cl)[CH][C]2Cl)[C]3[CH][CH][CH][CH][CH]3 InChIKey=BNSZMMWSFFDXBL-QHCPKHFHSA-N InChI=1S/C24H25BrCl2NO/c1-2-6-23(17-7-4-3-5-8-17)28-15-19-13-20(25)10-12-24(19)29-16-18-9-11-21(26)14-22(18)27/h3-5,7-14,23H,2,6,15-16,28H2,1H3/t23-/m0/s1 InChI=1/C24H25BrCl2NO/c1-2-6-23(17-7-4-3-5-8-17)28-15-19-13-20(25)10-12-24(19)29-16-18-9-11-21(26)14-22(18)27/h3-5,7-14,23H,2,6,15-16,28H2,1H3/t23-/m0/s1 3500.1090630554 -4541.3715298 1-A 19433.6424 126 382 508 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.15589 -104.94348 -104.91997 -64.56725 -58.70684 -58.70486 -58.70473 -20.72863 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-0.55523 -0.54546 -0.52244 -0.50230 -0.47088 -0.45421 -0.45279 -0.45260 -0.44092 -0.42252 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.00160 0.00843 0.01420 0.01617 0.02156 0.02745 0.07129 0.07369 0.07805 0.09876 0.11578 0.12257 0.13289 0.13871 0.14372 0.14689 0.15768 0.16336 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2.20576 2.20900 2.21788 2.24579 2.26487 2.27308 2.27827 2.29396 2.30127 2.30307 2.30960 2.32194 2.33159 2.33942 2.35436 2.35548 2.35886 2.37017 2.37388 2.38603 2.40449 2.41328 2.42148 2.43536 2.44292 2.45972 2.47800 2.49680 2.50691 2.51330 2.51589 2.52103 2.52457 2.52883 2.55117 2.55704 2.56806 2.59203 2.59961 2.60400 2.61166 2.64873 2.65936 2.67751 2.72104 2.74624 2.75644 2.77473 2.79529 2.80652 2.81215 2.82642 2.83192 2.84918 2.86509 2.88247 2.88622 2.89064 2.91088 2.92823 2.94562 2.94937 2.98463 2.98624 3.00168 3.00619 3.01368 3.01780 3.02409 3.02527 3.03954 3.06912 3.07708 3.09696 3.13140 3.16838 3.19347 3.28542 3.33453 3.33814 3.49703 3.64851 3.69385 3.70754 4.22225 4.35100 4.38626 4.39322 4.41094 4.41673 4.42410 4.43250 4.43807 4.48035 4.49646 4.53368 4.59026 4.60921 4.62735 4.63416 4.64676 4.67066 4.69250 4.70758 4.72071 4.75812 4.78904 4.88330 4.91217 5.01940 5.03301 5.11047 9.18910 74.40723 11.45372 0.5114 3.6767 -1.9792 4.2068 |XX|YY|ZZ|XY|XZ|YZ| -171.1948 -147.2540 -185.1167 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3.1819 8.0795 2.3925 3.1343 0.9689 6.6194 2.8093 5.6436 1.0143 6.2583 3.4720 1.0437 11.8733 1.1153 1.8188 1.8670 24.4671 4.2022 0.5514 6.3787 5.7773 1.3134 6.4579 25.8994 1.3329 0.8291 0.8245 0.1321 0.1261 8.6072 12.0861 5.7339 0.0438 4.4796 3.5025 0.6644 8.5399 1.1478 3.4772 7.9341 10.7188 11.8349 2.0500 1.0073 1.2049 4.5317 10.9651 10.5922 2.9419 9.0599 3.4670 0.7241 7.6029 28.0827 0.9453 1.5006 1.7696 12.6404 0.2784 7.2480 5.7243 1.4939 1.1363 7.5711 5.1667 4.2690 8.6105 3.4530 7.6165 1.3496 14.4520 15.1089 11.9547 11.0861 1.1122 2.4095 5.8252 0.3366 6.3140 5.4823 16.0017 8.2467 67.2103 44.8381 34.8783 11.2103 102.0337 21.5184 118.1096 95.4279 58.8026 6.3336 48.2899 8.8372 73.2443 87.1198 27.0950 37.8252 30.8807 39.1065 65.0402 80.7737 70.3630 39.0283 246.5643 57.2923 120.1791 50.7992 121.1385 55.2490 23.5076 0.7491 0.7260 0.7497 0.6639 0.7454 0.7500 0.7117 0.7488 0.7495 0.7492 0.7453 0.5646 0.6279 0.4180 0.7482 0.5775 0.7243 0.4312 0.6963 0.2120 0.5749 0.5194 0.7151 0.3529 0.2972 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0.7714 0.5895 0.8560 0.7322 0.8401 0.6025 0.8209 0.3499 0.7300 0.6837 0.8339 0.5217 0.4582 0.4836 0.5089 0.8340 0.8569 0.6048 0.5203 0.3280 0.8212 0.5041 0.3241 0.6905 0.6562 0.6428 0.8458 0.6116 0.8484 0.7461 0.8124 0.8475 0.8422 0.6749 0.2079 0.4966 0.3978 0.5306 0.3542 0.3544 0.2724 0.8312 0.4288 0.5644 0.6060 0.2657 0.7673 0.8304 0.8571 0.1769 0.5822 0.7617 0.8182 0.3135 0.3000 0.5918 0.1417 0.8441 0.8326 0.6100 0.4992 0.7403 0.2025 0.5691 0.7609 0.8477 0.8568 0.3733 0.3652 0.2503 0.8552 0.4881 0.3099 0.2385 0.3948 0.5932 0.7882 0.2312 0.8535 0.1230 0.3994 0.5445 0.2218 0.2754 0.4927 0.7377 0.2549 0.6365 0.6571 0.6083 0.8470 0.8570 0.8515 0.8569 0.8525 0.6710 0.7941 0.8523 0.5718 0.7326 0.4751 0.6055 0.6911 0.8255 0.8446 0.8568 0.8489 0.7988 0.4629 0.5729 0.8568 0.8340 0.6938 0.4528 0.8558 0.7086 0.8455 0.7327 0.7487 0.3146 0.5294 0.0590 0.7239 0.0462 0.5990 0.7420 0.8239 0.8049 0.1003 0.8382 0.5747 0.8122 0.6161 0.5664 0.7590 0.8455 0.3813 0.2123 0.7403 0.3846 0.4055 0.2812 0.2124 0.7314 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 6 6 6 6 1 6 6 6 6 6 6 7 1 1 6 6 6 6 6 6 6 8 6 6 6 6 6 6 6 17 17 35 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783 1.00783 1.00783 1.00783 12609.7380 26408.9695 36227.7783 0.99938 0.03508 -0.00000 -0.03508 0.99938 0.00347 0.00012 -0.00347 0.99999 1 0.00687 0.00328 0.00239 0.14312 0.06834 0.04982 15.56 24.88 30.27 43.00 52.86 66.41 84.29 97.63 115.01 123.73 140.71 142.42 173.19 206.65 237.47 276.56 284.63 298.92 318.55 326.26 347.99 385.24 398.84 409.18 450.34 461.26 483.63 500.33 563.60 581.15 610.45 623.07 653.56 675.88 718.64 723.54 753.01 791.29 820.91 863.38 894.57 915.30 937.88 974.27 988.04 1002.05 1053.04 1123.26 1126.63 1137.23 1163.70 1178.34 1195.90 1237.20 1271.78 1318.74 1339.72 1346.15 1358.80 1372.32 1380.08 1405.09 1419.38 1463.94 1468.09 1496.64 1512.69 1532.08 1567.02 1573.28 1578.86 1590.21 1599.18 1604.90 1615.59 1626.52 1637.98 1650.69 1663.04 1675.27 1711.23 1725.33 1731.53 1736.89 1767.74 1781.43 1799.32 1809.80 1820.66 1861.66 1882.86 1888.91 1897.31 1920.49 1928.07 1949.72 1986.80 1990.22 2010.91 2042.92 2061.22 2074.33 2092.23 2124.60 2129.13 2170.72 2192.14 2216.11 2223.86 2251.71 2255.59 2261.71 2262.37 2289.06 2338.48 2343.01 2353.59 2365.04 2365.50 2380.42 2384.97 2399.65 2406.73 2419.82 2527.19 2557.19 2568.83 2587.47 2597.58 2599.56 2624.63 4599.35 4616.20 4621.75 4643.96 4687.63 4706.01 4716.56 4724.68 4730.59 4732.21 4767.87 4812.26 4831.63 4833.77 4862.75 4865.85 4881.34 4881.66 4898.15 4901.67 4911.83 4922.21 4928.85 5284.89 5377.07 0.473880 0.500208 0.501152 0.411541 -4540.897650 -4540.871322 -4540.870378 -4540.959988 3.005534D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE CCC[C@@H](c1ccccc1)[NH2+]Cc2cc(ccc2OCc3ccc(cc3Cl)Cl)Br C10435945 RHF 6-31G(d) (6D,10F) C1 492.049656 |X|Y|Z| 78.028300 111.513127 30.179676 64.036989 23 6 7 8 21 1 1 |36.858105| |12.465629|36.858105| |7.506461|12.433051|36.858105| |4.853765|7.400649|12.418371|36.858105| |4.613747|7.142131|8.870712|17.613190|0.500000| |3.746053|4.867612|7.423228|12.570838|0.248029|36.858105| |3.155518|3.951771|5.220092|7.577683|0.205758|13.722956|36.858105| |2.643013|3.125837|3.958549|5.019442|0.133717|7.905377|13.732072|36.858105| |2.523844|2.898333|3.713679|4.430753|0.111122|6.842236|7.938385|13.770363|36.858105| |2.795990|3.205668|4.304144|5.007957|0.116483|7.906034|6.880498|7.943081|13.727781|36.858105| |3.425671|4.114771|6.096954|7.521639|0.155228|13.671593|7.945031|6.877572|7.936221|13.775194|36.858105| |4.197722|5.977508|7.613380|12.505806|0.254385|7.714642|5.455035|4.089941|3.801719|4.367168|6.153223|53.358707| |3.863086|5.064150|6.709069|9.167144|0.182314|7.445757|5.094933|4.052920|3.992314|4.864591|7.060792|25.708280|0.500000| |4.680192|6.814203|7.407956|9.021702|0.210377|5.697518|4.338773|3.395412|3.192301|3.629825|4.853218|25.662957|0.328886|0.500000| |3.272359|4.363172|4.951735|7.466245|0.203690|6.070099|5.177299|4.002958|3.595917|3.856356|4.859414|17.222889|0.256666|0.258139|36.858105| |2.791205|3.479904|3.814586|4.936405|0.130098|4.412385|3.864935|3.274689|3.101919|3.362878|4.003462|10.397525|0.205990|0.191494|12.671614|36.858105| |2.373569|2.853927|3.178658|4.013831|0.105733|3.968963|3.643335|3.269189|3.165361|3.371287|3.778403|7.330399|0.156835|0.131990|7.617016|13.764465|36.858105| |2.098521|2.443551|2.655253|3.160093|0.083603|3.121417|2.896621|2.686370|2.660956|2.831607|3.075986|5.499340|0.119212|0.105138|5.042714|7.928716|13.761616|36.858105| |2.096750|2.411774|2.544761|2.921854|0.077555|2.777102|2.542961|2.335789|2.313551|2.484997|2.734927|5.121400|0.109818|0.103533|4.457840|6.875312|7.969304|13.819099|36.858105| |2.367374|2.753623|2.835335|3.221223|0.085653|2.912214|2.610511|2.334103|2.285202|2.478467|2.813094|5.887303|0.123099|0.125723|5.031261|7.914325|6.877000|7.932620|13.720741|36.858105| |2.786615|3.387302|3.502858|4.140791|0.109932|3.562757|3.116457|2.685816|2.581046|2.816570|3.320231|8.332842|0.166053|0.181980|7.565019|13.626411|7.923146|6.863047|7.941021|13.769691|36.858105| |3.266476|4.049055|3.932082|4.443851|0.119763|3.552120|3.062237|2.584738|2.458711|2.689993|3.236675|8.894876|0.163691|0.229616|6.951849|8.192279|5.289743|4.616924|5.190834|7.853925|14.073811|73.516695| |3.049429|3.549283|3.296740|3.472813|0.094386|2.860233|2.514783|2.176831|2.093400|2.279118|2.673063|6.185882|0.118920|0.155177|4.583372|5.228019|3.970774|3.783723|4.504996|6.704469|7.952700|23.818616|36.858105| |3.566598|4.060978|3.486609|3.459769|0.095410|2.771810|2.436146|2.094428|2.002719|2.175816|2.564364|5.753032|0.107751|0.149014|3.979788|4.057198|3.183615|2.972977|3.341960|4.409595|5.203943|14.206219|12.663900|36.858105| |3.265860|3.647309|3.059625|3.044732|0.087100|2.478068|2.243818|1.940174|1.834308|1.954606|2.264337|4.783036|0.088362|0.117559|3.443326|3.421590|2.776845|2.607561|2.886813|3.638465|4.146815|10.116713|7.594066|13.721114|36.858105| |3.427723|3.632255|2.935681|2.811115|0.080866|2.302740|2.100060|1.825315|1.725798|1.832025|2.108928|4.186572|0.077750|0.100843|2.933659|2.828840|2.360180|2.213610|2.398085|2.897162|3.251883|7.440746|5.021138|7.863596|13.766207|36.858105| |4.072381|4.044707|3.163645|2.882174|0.081227|2.349655|2.111117|1.836288|1.751685|1.879886|2.176902|4.199955|0.079000|0.101831|2.809001|2.674136|2.244814|2.097155|2.250027|2.684975|3.018830|6.821259|4.440471|6.836917|7.993968|13.788046|36.858105| |4.743714|4.651523|3.648314|3.224563|0.087773|2.593335|2.266729|1.963580|1.894936|2.072593|2.437714|4.801976|0.091769|0.120046|3.069086|2.935761|2.435815|2.265889|2.437315|2.941126|3.346489|7.705857|4.996706|7.855504|6.892558|7.916873|13.758924|36.858105| |4.326200|4.672582|3.884535|3.587006|0.095895|2.848181|2.449340|2.107473|2.039323|2.251629|2.681879|5.760110|0.110517|0.151336|3.667715|3.614424|2.901110|2.692917|2.954414|3.724460|4.346174|10.810192|7.508469|13.693752|8.020303|6.903836|8.002671|13.794515|36.858105| |4.298071|4.565285|4.224032|3.820902|0.095810|3.105785|2.577607|2.238440|2.225107|2.537924|3.065469|6.326712|0.131828|0.163326|3.772874|3.817092|3.109567|2.894675|3.156377|3.911113|4.501706|10.182989|6.165428|6.977138|4.760844|4.225978|4.791869|7.097997|10.891922|448.794386| |3.771286|3.473608|2.749433|2.463854|0.069781|2.066256|1.887938|1.665234|1.591428|1.693072|1.928090|3.435337|0.065365|0.080008|2.307544|2.179394|1.883130|1.768020|1.869266|2.159077|2.380086|5.090546|3.163406|4.216194|4.783195|7.051198|10.999033|7.073751|4.794725|28.515996|448.794386| |1.773224|2.015240|2.198135|2.559147|0.068141|2.645110|2.545978|2.480328|2.506446|2.601038|2.673425|4.123902|0.089497|0.078374|3.571770|4.598074|6.701230|10.087543|6.693541|4.591958|4.084307|5.631334|2.763749|2.298504|2.076632|1.816996|1.736373|1.854514|2.132287|18.360475|12.078952|2539.412838| |17.549858|8.771716|6.782546|4.486720|0.113125|3.575539|2.956973|2.524173|2.471986|2.799825|3.429618|5.586020|0.109504|0.128279|3.158195|2.777300|2.373901|2.121706|2.136959|2.416773|2.812585|5.833197|3.109311|3.612749|3.200045|3.315837|4.013223|4.980526|4.587379|39.756845|29.429917|60.983264|0.500000| |17.558218|8.783348|6.830912|4.508637|0.119924|3.691305|3.176928|2.697003|2.577917|2.830158|3.401854|5.062924|0.096488|0.109660|2.969979|2.530831|2.200665|1.948744|1.925314|2.133945|2.479245|5.011630|2.620616|2.973653|2.773657|2.907206|3.359165|3.756171|3.472284|28.193544|26.075411|57.044494|0.301568|0.500000| |17.578208|8.802959|5.474775|4.028375|0.111079|3.177198|2.770240|2.351233|2.232884|2.429101|2.899698|4.960751|0.092624|0.114334|2.982345|2.590658|2.207982|1.976096|1.996591|2.265690|2.637340|5.562138|3.017987|3.662595|3.482213|3.840753|4.757801|5.312351|4.456417|32.774086|37.135767|56.982611|0.301524|0.302102|0.500000| |8.889008|17.512679|8.759690|6.727415|0.181650|4.424447|3.614338|2.891945|2.698364|2.987984|3.804037|8.949061|0.150671|0.239766|4.799543|3.896617|3.082018|2.645444|2.663084|3.136214|3.951960|8.973665|4.411844|5.285790|4.552041|4.406601|4.902128|5.882979|6.224317|45.642773|31.082016|72.433356|0.211247|0.173348|0.214136|0.500000| |8.861442|17.527712|8.872484|6.813974|0.214820|4.654338|4.041550|3.161553|2.839254|3.027322|3.770495|7.189666|0.121507|0.159050|4.215072|3.297344|2.733121|2.334370|2.287003|2.586015|3.163883|6.631328|3.275779|3.726598|3.526784|3.563191|3.832626|4.105429|4.048441|30.139266|27.195975|66.163011|0.172968|0.210914|0.213584|0.304014|0.500000| |6.881645|8.875749|17.578866|8.996978|0.205249|7.216135|5.430435|4.206173|3.935744|4.479279|6.062203|7.620851|0.143804|0.146293|4.100092|3.240916|2.812530|2.380132|2.262194|2.465586|2.957006|5.738018|2.778513|2.930432|2.647422|2.589719|2.790303|3.133155|3.230294|27.836392|20.243066|69.051046|0.168067|0.205179|0.141019|0.173120|0.214281|0.500000| |6.904594|8.792116|17.517768|8.812183|0.174441|6.513079|4.527224|3.648433|3.619099|4.422777|6.345470|9.754177|0.201805|0.198948|4.594047|3.779522|3.185216|2.703720|2.613152|2.910737|3.541358|6.986758|3.343664|3.491929|2.975863|2.836480|3.102720|3.708270|4.020401|38.440281|21.546452|76.147957|0.204322|0.171433|0.140578|0.207093|0.173356|0.304912|0.500000| |3.141265|3.993525|4.906961|7.029470|0.228766|8.898164|17.700373|8.932124|5.651947|4.954643|5.641127|6.987367|0.125823|0.117402|5.174175|3.769727|3.488260|2.785511|2.471223|2.561096|3.073545|5.454033|2.525982|2.470550|2.318361|2.176876|2.164103|2.284013|2.449064|20.034762|15.567661|82.866668|0.079897|0.087586|0.078034|0.101804|0.119348|0.140320|0.113908|0.500000| |2.378423|2.769957|3.344752|4.098427|0.114601|5.636450|8.922803|17.732151|8.917014|5.646162|4.955561|4.694157|0.093588|0.081826|3.501203|2.927677|2.959167|2.477754|2.161299|2.145590|2.435054|4.166178|2.000152|1.929186|1.812824|1.713663|1.712728|1.808109|1.925165|16.152158|12.579888|79.549455|0.062740|0.067688|0.059764|0.071635|0.079287|0.098753|0.085356|0.216090|0.500000| |2.227931|2.499228|3.087655|3.545000|0.090995|4.937203|5.645807|8.921371|17.732752|8.910549|5.647553|4.286419|0.091874|0.075453|3.040817|2.715006|2.825294|2.442785|2.130332|2.079106|2.299731|3.878440|1.888095|1.805595|1.665545|1.573355|1.594795|1.715026|1.834684|16.013496|11.731886|80.899387|0.060907|0.063459|0.055430|0.065106|0.068278|0.090863|0.084481|0.124293|0.214823|0.500000| |2.584043|2.869352|3.728024|4.085447|0.096307|5.634492|4.957039|5.648459|8.905495|17.731778|8.937035|5.104782|0.118370|0.089620|3.328411|3.040049|3.095168|2.688108|2.381779|2.353883|2.613170|4.419383|2.145603|2.045010|1.833283|1.723066|1.776375|1.965646|2.130246|19.564569|12.912819|85.907920|0.073236|0.072697|0.062770|0.075043|0.074523|0.107098|0.110415|0.107572|0.124119|0.214769|0.500000| |3.669667|4.304621|6.436710|6.924395|0.139701|8.845142|5.633549|4.952200|5.655664|8.972476|17.682622|8.541038|0.219150|0.143867|4.626139|3.992397|3.694636|3.079860|2.805199|2.926156|3.438522|6.032797|2.829163|2.720659|2.355176|2.191576|2.293157|2.625151|2.912863|27.985761|16.195611|89.781101|0.106072|0.099498|0.085111|0.112096|0.104566|0.168368|0.214220|0.123665|0.107532|0.124473|0.217252|0.500000| |3.339257|4.525088|4.719579|6.689864|0.211550|5.136179|4.664710|3.608286|3.167769|3.301716|4.045664|12.478026|0.182456|0.232641|17.628520|8.830157|5.860875|4.299032|3.993239|4.631130|6.787100|12.607668|4.773921|4.288103|3.853283|3.254769|3.036607|3.226231|3.810017|29.288416|19.844838|107.409864|0.087287|0.083556|0.086508|0.141368|0.127219|0.109464|0.116816|0.139141|0.090480|0.075622|0.079891|0.107092|0.500000| |3.004675|3.911756|4.626052|7.244373|0.201280|7.046178|6.515428|4.927557|4.250594|4.386534|5.382293|12.411956|0.213125|0.182267|17.676603|8.912315|7.372620|4.804530|4.004160|4.194127|5.589899|8.906172|3.648469|3.253555|2.904001|2.546884|2.457551|2.651944|3.062410|25.515239|16.691781|124.095021|0.080103|0.077987|0.075726|0.113062|0.107511|0.112166|0.117927|0.178837|0.118258|0.097978|0.101823|0.132403|0.300817|0.500000| |2.300679|2.763460|3.149510|4.069543|0.107647|4.303780|4.109034|3.772865|3.630636|3.762948|4.087487|6.920692|0.147716|0.119418|7.058212|8.923698|17.737366|8.945715|5.668646|4.955688|5.635820|7.595673|3.317498|2.789501|2.483039|2.159190|2.070567|2.231936|2.594582|22.280438|14.194079|220.653350|0.063447|0.060155|0.059100|0.080749|0.074378|0.079079|0.086664|0.107728|0.094831|0.089764|0.094422|0.106482|0.151137|0.227179|0.500000| 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|2.664462|3.065818|2.857521|3.052846|0.084882|2.579792|2.329876|2.039176|1.950212|2.088675|2.401813|5.245993|0.100518|0.124619|4.127372|4.788533|3.802971|3.738551|4.553548|6.668370|7.053135|16.539155|17.610969|8.933228|7.341747|4.798134|4.005855|4.191958|5.600815|36.926151|23.684337|94.052895|0.074444|0.064792|0.074088|0.102457|0.080971|0.068452|0.079297|0.065703|0.052693|0.049270|0.054680|0.069429|0.122472|0.093880|0.088441|0.112211|0.218701|0.500000| |2.874398|3.242117|3.093354|3.201221|0.084788|2.711578|2.367736|2.082545|2.039049|2.245435|2.612690|5.650611|0.114632|0.137607|4.063557|4.800101|3.835840|3.807795|4.701020|6.997632|7.183944|16.513459|17.630223|8.910941|5.787446|4.261162|3.991114|4.664353|6.915679|54.425618|23.622184|95.479242|0.083558|0.069152|0.078328|0.108967|0.081773|0.073084|0.089879|0.065001|0.053011|0.051381|0.059570|0.078134|0.111735|0.092459|0.088785|0.116080|0.237060|0.300871|0.500000| 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