Version2.0 2020-02-02T12:10:48Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)CC(C)(C)NC(=O)[C@H](c1cccc(c1)O)N(Cc2ccco2)C(=O)c3c(cccc3O)O C36500463 RHF 6-31G(d) (6D,7F) CC(C)(C)CC(C)(C)NC(=O)[C@H](c1cccc(c1)O)N(Cc2ccco2)C(=O)c3c(cccc3O)O C01[X(C28H34N2O6)] 204 C1 608 O=C([C@@H](N(C(=O)c1c(O)cccc1O)Cc1ccco1)c1cccc(c1)O)NC(CC(C)(C)C)(C)C O=C([C@@H](N(C(=O)c1c(O)cccc1O)Cc1ccco1)c1cccc(c1)O)NC(CC(C)(C)C)(C)C CC(C)(C)CC(C)(C)NC(=O)[C@@H](N(Cc1occc1)C(=O)c2c(O)cccc2O)c3cccc(O)c3 InChIKey=YKMIDAVRGNWKRN-DEOSSOPVSA-N InChI=1S/C28H34N2O6/c1-27(2,3)17-28(4,5)29-25(34)24(18-9-6-10-19(31)15-18)30(16-20-11-8-14-36-20)26(35)23-21(32)12-7-13-22(23)33/h6-15,24,31-33H,16-17H2,1-5H3,(H,29,34)/t24-/m0/s1 InChI=1/C28H34N2O6/c1-27(2,3)17-28(4,5)29-25(34)24(18-9-6-10-19(31)15-18)30(16-20-11-8-14-36-20)26(35)23-21(32)12-7-13-22(23)33/h6-15,24,31-33H,16-17H2,1-5H3,(H,29,34)/t24-/m0/s1/f/h29H CC(C)(C)CC(C)(C)NC(=O)[C@H](c1cccc(c1)O)N(Cc2ccco2)C(=O)c3c(cccc3O)O C01[X(C28H34N2O6)] 204 C01 608 O=C([C@@H](N(C(=O)c1c(O)cccc1O)Cc1ccco1)c1cccc(c1)O)NC(CC(C)(C)C)(C)C O=C([C@@H](N(C(=O)c1c(O)cccc1O)Cc1ccco1)c1cccc(c1)O)NC(CC(C)(C)C)(C)C CC(C)(C)CC(C)(C)NC(=O)[C@@H](N(Cc1occc1)C(=O)c2c(O)cccc2O)c3cccc(O)c3 InChIKey=YKMIDAVRGNWKRN-DEOSSOPVSA-N InChI=1S/C28H34N2O6/c1-27(2,3)17-28(4,5)29-25(34)24(18-9-6-10-19(31)15-18)30(16-20-11-8-14-36-20)26(35)23-21(32)12-7-13-22(23)33/h6-15,24,31-33H,16-17H2,1-5H3,(H,29,34)/t24-/m0/s1 InChI=1/C28H34N2O6/c1-27(2,3)17-28(4,5)29-25(34)24(18-9-6-10-19(31)15-18)30(16-20-11-8-14-36-20)26(35)23-21(32)12-7-13-22(23)33/h6-15,24,31-33H,16-17H2,1-5H3,(H,29,34)/t24-/m0/s1/f/h29H 4238.2366763033 -1638.166039 1-A 16267.7592 132 476 608 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 15.1188 22.7170 25.4111 31.4735 40.9254 43.0714 49.8353 53.8819 60.3043 67.7590 78.7105 97.1353 107.7731 111.8045 140.3887 150.8798 181.5719 194.6126 199.0229 213.5410 223.6303 229.0689 242.6683 258.5811 260.0331 260.7081 285.3305 291.3925 307.4364 310.5064 319.7520 324.7546 325.6645 327.4394 339.3153 346.8313 354.2165 366.5761 396.8673 407.4288 409.9781 450.7093 455.6324 463.6914 468.5489 478.4935 481.7831 502.5232 521.5119 524.5979 540.6956 553.9347 564.5445 574.9316 577.9094 589.8771 606.1287 623.5305 640.2437 658.4797 663.1918 678.8125 704.0665 714.5160 767.6218 775.7764 789.0361 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6.2503 6.2848 6.3219 6.3449 6.4569 6.7210 6.8696 6.8908 6.9002 6.9281 6.9454 7.0128 6.8229 7.0444 7.0744 7.1410 7.1046 7.2254 7.1737 7.3291 7.2955 7.2976 7.4552 7.4586 7.5010 7.6209 7.7408 7.6976 7.9149 9.6053 10.2035 10.4644 10.6409 0.4845 0.2646 0.1160 0.2478 0.3344 0.0653 0.0783 0.2427 0.3108 0.2354 2.6847 0.1542 1.6151 2.2224 3.3267 5.7609 0.3266 0.8093 2.9757 2.4746 1.3805 0.2328 0.8067 0.3376 1.2903 3.6084 0.8848 1.0960 4.1613 8.0165 6.1254 36.7049 117.2765 3.2236 6.7862 0.1454 1.1838 6.1384 4.0321 0.3152 1.2210 0.2571 4.3648 10.8063 5.9783 7.1190 3.0440 9.1756 49.4082 9.2039 24.8535 40.6124 89.6927 4.7799 1.7759 140.8059 9.9287 7.6142 37.2069 13.1398 8.4565 10.0003 10.9203 3.1226 10.5917 12.1236 2.7157 18.1681 22.0461 9.8605 13.5472 13.3739 53.8292 67.2026 33.2883 12.6874 91.6573 20.9451 6.4739 3.7234 4.4875 52.9136 2.5691 2.3913 9.7237 0.1699 2.5043 0.5459 2.0369 0.4350 4.3178 8.5872 0.1984 1.6011 31.9658 8.3337 7.5255 29.3405 1.4333 7.6547 2.7336 0.2642 10.4591 0.1828 9.3277 1.6392 12.0918 102.0178 196.7988 17.9735 34.6679 15.3301 16.3287 15.3874 19.7644 58.3060 54.2767 79.1053 18.1999 93.5211 58.4551 65.3386 36.8070 18.7330 18.0468 24.0898 170.6937 16.3916 124.2412 147.8729 8.0560 3.6314 119.6944 10.6849 123.6462 2.5380 43.7001 176.8216 2.1696 46.1216 9.4999 2.3335 60.5804 7.8286 4.2302 11.9939 45.3525 4.0424 0.3264 21.8601 7.4005 10.6720 77.5567 34.7203 77.3282 3.5501 9.6766 21.3664 4.2616 29.1229 31.2906 31.4378 408.1092 170.1305 49.6670 111.0901 1.5052 217.1052 453.8343 216.8115 12.8347 37.7069 43.6032 28.1272 27.2013 16.6870 24.7407 3.6060 3.2154 67.1586 97.5829 71.1905 31.1379 9.9373 18.9603 46.4391 25.8053 14.2665 12.7642 3.7540 4.1944 15.2742 16.2995 12.9954 6.8196 8.2239 4.9547 0.1637 2.6736 1.4699 47.4640 220.6033 270.8464 76.6508 0.3742 0.7593 3.8245 1.8405 3.4432 0.6655 1.8971 0.5086 5.5308 1.5034 0.7659 0.2984 1.8123 3.5967 1.0244 1.0376 1.6675 0.2581 2.0342 1.1222 2.0304 0.8488 3.1281 0.1027 1.9841 2.1768 0.3400 0.1406 1.7505 0.5687 0.6654 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0.7554 0.4755 0.8570 0.2027 0.8559 0.6985 0.7027 0.3872 0.8535 0.2019 0.7617 0.3287 0.2702 0.2692 0.1920 0.3342 0.3842 0.4395 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 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 6 6 6 6 6 6 6 6 7 6 8 6 1 6 6 6 6 6 6 8 7 6 6 6 6 6 8 6 8 6 6 6 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14225.8612 18310.1416 24841.8535 0.99975 0.01786 -0.01361 -0.01781 0.99983 0.00374 0.01368 -0.00350 0.99990 1 0.00609 0.00473 0.00349 0.12686 0.09857 0.07265 21.75 32.68 36.56 45.28 58.88 61.97 71.70 77.52 86.76 97.49 113.25 139.76 155.06 160.86 201.99 217.08 261.24 280.00 286.35 307.24 321.75 329.58 349.15 372.04 374.13 375.10 410.53 419.25 442.33 446.75 460.05 467.25 468.56 471.11 488.20 499.01 509.64 527.42 571.00 586.20 589.87 648.47 655.55 667.15 674.14 688.45 693.18 723.02 750.34 754.78 777.94 796.99 812.25 827.20 831.48 848.70 872.08 897.12 921.17 947.41 954.19 976.66 1012.99 1028.03 1104.44 1116.17 1135.25 1140.05 1158.39 1182.03 1189.14 1239.06 1240.50 1262.35 1272.50 1299.46 1311.95 1330.42 1360.75 1361.87 1380.23 1393.69 1396.06 1400.02 1409.78 1450.62 1452.82 1470.66 1471.77 1481.11 1495.54 1504.75 1512.00 1524.70 1539.88 1558.10 1590.12 1592.00 1601.70 1609.65 1619.28 1622.33 1625.71 1660.06 1674.21 1682.48 1703.38 1729.52 1741.68 1747.16 1791.33 1824.19 1828.90 1851.62 1860.44 1861.61 1877.41 1882.44 1924.77 1933.78 1947.37 1954.85 1972.30 1983.59 1986.97 2006.17 2010.00 2013.28 2048.78 2058.67 2101.30 2116.68 2133.93 2137.56 2164.36 2207.16 2216.45 2222.08 2237.69 2241.75 2242.54 2248.41 2268.00 2273.79 2289.30 2335.35 2344.64 2346.30 2352.25 2354.47 2354.80 2357.86 2363.33 2369.74 2374.53 2376.56 2388.52 2390.21 2402.73 2408.32 2422.04 2450.98 2481.88 2557.33 2588.60 2605.54 2610.76 2623.07 2685.41 2777.08 4584.17 4597.81 4607.19 4619.71 4621.20 4644.89 4654.58 4678.34 4685.71 4690.21 4700.35 4704.38 4730.40 4751.57 4752.05 4767.15 4777.94 4782.81 4799.72 4818.24 4824.55 4848.70 4850.49 4889.28 4895.34 4902.20 4949.16 4972.95 4973.32 5014.43 5592.69 5799.40 5871.12 5919.89 0.627996 0.660896 0.661840 0.561854 -1637.538043 -1637.505143 -1637.504199 -1637.604185 3.353547D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE 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|2.533667|2.129197|1.957514|1.944926|2.070862|2.189884|2.142602|1.948260|3.514679|2.768705|4.511172|3.326320|0.090048|3.115801|2.732780|2.513173|2.557963|2.865179|3.207634|4.879470|5.916080|4.324482|3.711085|2.990729|2.789897|3.198002|7.038117|5.004244|7.216735|7.859810|6.848173|7.896390|13.787454|36.858105| |2.909106|2.411735|2.173590|2.167388|2.379863|2.559938|2.466933|2.252767|4.266758|3.437385|5.456277|4.382711|0.117342|3.990821|3.343735|2.976012|3.006876|3.453929|4.076573|5.687022|8.542991|5.845642|4.568263|3.481473|3.127440|3.588452|8.405077|7.494036|9.607536|13.581838|7.893422|6.846722|7.981816|13.752043|36.858105| |2.647773|2.265055|2.039668|2.039315|2.303463|2.528537|2.416627|2.283414|4.245271|3.569042|5.756894|4.763471|0.123559|4.767909|3.975332|3.597481|3.708681|4.331487|5.058928|6.988776|8.874086|6.122109|4.353006|3.399584|2.933065|3.201492|7.304495|6.447655|8.499621|7.878923|5.191244|4.618552|5.315292|8.229889|14.164578|73.516695| |4.860780|3.493685|3.086801|3.115273|3.071445|3.038573|2.928741|2.485982|4.866535|3.390763|5.178040|3.735427|0.108324|2.999727|2.552017|2.217973|2.173048|2.431208|2.893557|4.034016|6.381773|4.125669|4.243488|3.407996|3.494348|4.513958|9.800210|6.722479|12.365640|7.930623|14.252309|8.203011|5.311995|4.627096|5.213810|7.039546|73.516695| |17.580958|8.696658|6.805157|5.506231|6.581634|6.243799|6.038225|4.159829|9.154526|5.100877|7.513354|4.429271|0.125931|3.270146|2.859612|2.373243|2.209647|2.384404|2.877058|3.798639|6.299006|4.114644|4.840443|4.352818|4.622138|5.465853|10.087746|5.103889|10.436011|4.110711|4.194840|3.302952|2.782739|2.740837|3.193087|5.141656|9.305689|0.500000| |17.548774|8.735943|5.495679|6.979501|6.704988|5.430739|4.469191|3.958987|8.406558|4.587830|6.519539|4.358878|0.137738|3.267139|2.761359|2.331277|2.233605|2.478650|3.015812|4.022362|5.886129|3.544798|3.725608|3.283830|3.306883|3.783780|7.373589|5.114246|12.332343|4.045334|4.137224|3.241127|2.728296|2.691489|3.141489|5.082040|9.344237|0.301532|0.500000| |17.536636|8.811907|7.027363|7.019674|5.412711|4.420560|4.185974|3.314202|6.070133|3.576665|5.474642|3.323336|0.098118|2.627096|2.317852|1.994740|1.902304|2.063264|2.426139|3.382965|4.708232|3.093690|3.457695|3.173368|3.442760|4.052875|7.235651|3.983026|8.398187|3.498247|3.839935|3.158202|2.612163|2.487184|2.782674|4.424061|9.055072|0.302352|0.302681|0.500000| |6.884021|8.801917|17.539009|7.194609|5.439587|4.274167|4.467579|3.361135|4.997948|3.000493|4.915044|2.627929|0.074925|2.182807|2.017599|1.761257|1.657112|1.745486|1.992495|2.861680|3.565382|2.478066|2.824262|2.821504|3.153579|3.384740|5.557020|2.767999|5.436503|2.480434|2.614767|2.290081|1.992568|1.923585|2.105559|3.472084|5.538162|0.166199|0.141440|0.209630|0.500000| |5.497410|8.731971|17.532567|6.880583|6.900491|5.185470|5.446540|4.201390|5.385135|3.178854|5.324988|2.665268|0.075439|2.240405|2.104938|1.833333|1.706176|1.776393|2.018370|2.889876|3.463692|2.411434|2.713871|2.784173|3.004860|3.043914|5.062816|2.584494|5.032215|2.265593|2.300629|2.017443|1.798822|1.774480|1.959348|3.312474|4.682703|0.139711|0.122432|0.141901|0.302044|0.500000| |6.927610|8.669209|17.621130|5.520764|6.475221|5.758776|7.091290|4.178894|6.253320|3.705939|6.190987|3.051881|0.084238|2.487395|2.326004|1.989782|1.832891|1.909196|2.197899|3.071574|4.105671|2.919760|3.471976|3.606790|4.097963|4.203696|6.674438|3.059945|5.842763|2.670482|2.725332|2.352042|2.070079|2.034782|2.264772|3.776677|5.617982|0.203072|0.140004|0.175459|0.303221|0.301799|0.500000| |6.956320|8.715746|5.525590|17.540712|6.993826|4.578646|3.694893|3.826629|5.867846|3.331564|5.089878|3.076529|0.095980|2.544287|2.247203|1.967817|1.903024|2.074744|2.410370|3.444705|3.908593|2.483194|2.574034|2.418075|2.448545|2.633568|4.845011|3.128103|6.773709|2.664127|2.711833|2.312050|2.030726|2.006109|2.249667|3.775888|5.675898|0.141131|0.209231|0.172602|0.144659|0.140138|0.122385|0.500000| |5.516643|8.719449|6.951134|17.532840|7.080934|4.506785|3.863978|3.905907|5.168569|2.996280|4.792780|2.655228|0.079350|2.248481|2.054055|1.810739|1.728264|1.840123|2.096437|3.044168|3.373768|2.233840|2.373210|2.314995|2.387265|2.497048|4.419914|2.600644|5.327773|2.260657|2.297740|2.005228|1.784375|1.762083|1.950608|3.303540|4.713715|0.122311|0.141495|0.142329|0.176852|0.204794|0.140306|0.301462|0.500000| |6.983239|8.749255|7.059729|17.545395|5.538069|3.917245|3.526699|3.228154|4.878309|2.879268|4.544786|2.642393|0.079225|2.206843|1.989196|1.753450|1.686435|1.813793|2.077884|3.019717|3.505342|2.316337|2.485398|2.376454|2.506505|2.726302|4.818153|2.813746|5.849723|2.495858|2.632288|2.289201|1.987254|1.922080|2.111687|3.488585|5.634235|0.141681|0.172795|0.211651|0.219895|0.170610|0.143835|0.301768|0.301703|0.500000| |5.474058|8.936516|7.107074|7.069192|17.542944|8.962903|6.551811|7.595471|7.761811|4.177409|6.765958|3.332720|0.096727|2.769557|2.569502|2.200304|2.036305|2.132520|2.461756|3.422106|4.006187|2.667047|2.858366|2.861928|2.855963|2.853380|5.067603|2.907414|5.803970|2.423169|2.356514|2.025130|1.831381|1.854379|2.099416|3.638228|4.681236|0.138347|0.138238|0.123632|0.145511|0.218811|0.167759|0.170195|0.214735|0.144003|0.500000| |6.551516|8.860475|5.496222|7.530469|17.501555|8.964327|5.481334|7.054705|10.205851|4.983048|7.334653|4.131238|0.128461|3.295343|2.904895|2.453857|2.306166|2.489180|2.963375|3.985524|4.786119|2.989904|3.073931|2.920149|2.827225|2.919572|5.461856|3.558300|7.543529|2.841205|2.720165|2.278921|2.047465|2.089676|2.413827|4.181924|5.434517|0.156586|0.192426|0.137646|0.124229|0.144437|0.134095|0.227130|0.189809|0.148219|0.306451|0.500000| |4.603410|5.680862|6.385771|4.085794|6.886633|8.826445|17.558460|6.826484|7.590272|4.617841|8.431519|3.411407|0.090640|2.839500|2.763519|2.322853|2.071659|2.103450|2.411156|3.308778|4.264888|3.083127|3.579039|3.947038|4.036996|3.687117|6.129209|2.933872|5.434342|2.484507|2.392202|2.071990|1.891332|1.924397|2.175423|3.781255|4.641313|0.140325|0.109463|0.108301|0.132222|0.181906|0.215553|0.100053|0.112723|0.098971|0.196691|0.140298|0.500000| |4.131044|4.425428|4.408365|3.323098|5.429731|8.829210|17.639870|7.148393|9.290436|6.520207|13.739279|4.312880|0.107175|3.552713|3.555311|2.864303|2.463069|2.462562|2.857783|3.767052|5.261395|3.944865|4.636246|5.378274|4.896763|4.185151|7.226025|3.372549|5.978746|2.789441|2.581430|2.214701|2.052474|2.136871|2.464670|4.373488|4.841696|0.134089|0.103958|0.096462|0.099819|0.117209|0.144686|0.086319|0.088792|0.081834|0.139444|0.123943|0.301251|0.500000| |6.002838|6.157691|6.402187|4.116864|6.493836|8.744024|17.622405|5.513568|9.589087|5.786958|9.969469|4.196234|0.108654|3.267145|3.082277|2.520164|2.245155|2.314122|2.722956|3.606867|5.531833|4.050058|5.111999|5.588692|5.876589|5.466556|8.953586|3.805074|6.927702|3.148178|3.022729|2.542193|2.279300|2.314728|2.664436|4.538593|5.939204|0.217125|0.136612|0.135716|0.138662|0.151319|0.241126|0.102849|0.104796|0.102482|0.153287|0.137972|0.300678|0.303063|0.500000| |3.863444|4.533564|3.739811|3.938233|7.175201|8.758368|5.515377|17.548872|9.556435|5.647356|9.237249|4.290525|0.124008|3.728318|3.503072|2.935886|2.659235|2.755630|3.207296|4.284824|4.572349|2.963536|2.959418|2.922352|2.684973|2.612995|4.889971|3.094175|6.018194|2.495017|2.295017|1.967668|1.832751|1.921307|2.222931|4.026247|4.327446|0.106365|0.109786|0.088550|0.086732|0.105367|0.101133|0.112366|0.110344|0.089664|0.195664|0.217695|0.140694|0.143336|0.122782|0.500000| |3.519722|3.917683|3.510335|3.233073|5.541343|8.769341|6.901689|17.623490|9.659792|6.826404|13.592291|4.584613|0.119740|4.057518|4.099676|3.317125|2.844096|2.831088|3.269917|4.283199|4.890789|3.354405|3.413768|3.531056|3.122785|2.895890|5.365994|3.122394|5.739285|2.532847|2.295534|1.977463|1.861633|1.970342|2.286401|4.192507|4.245039|0.103726|0.096390|0.081851|0.081484|0.097851|0.101579|0.088816|0.089142|0.076945|0.148878|0.144833|0.165599|0.213145|0.142358|0.300825|0.500000| |3.682597|4.569852|4.214711|3.814326|6.928892|8.783355|7.020682|17.552420|7.637515|4.686058|8.474492|3.491893|0.096029|3.056694|3.000741|2.551837|2.280663|2.305717|2.618792|3.616716|3.994863|2.744185|2.887220|3.003582|2.841508|2.679720|4.793933|2.708092|5.124616|2.255527|2.117307|1.841221|1.712109|1.774049|2.018249|3.614152|4.018141|0.103605|0.097535|0.086285|0.094629|0.125976|0.117281|0.100989|0.111030|0.088382|0.226255|0.167807|0.206345|0.180183|0.141216|0.300948|0.301450|0.500000| |7.074195|6.167522|4.424488|4.697679|7.653181|8.948374|5.917330|6.025920|26.072953|9.544412|10.911296|7.741749|0.251556|4.952712|3.991757|3.143227|2.906268|3.223602|4.160281|4.948761|8.339911|4.618820|4.567775|3.988523|3.623657|3.842017|7.878433|6.025806|13.316779|4.152161|3.709986|2.922752|2.610059|2.735303|3.348177|5.800126|7.250574|0.209634|0.230862|0.141914|0.104975|0.107645|0.123101|0.138742|0.112097|0.109954|0.150570|0.229145|0.129664|0.143353|0.163441|0.166470|0.148789|0.129850|0.500000| |2.680634|2.566268|2.335370|2.212580|2.970781|3.800862|3.615058|3.883237|6.292984|6.759155|15.178342|6.711561|0.141430|8.921521|17.821866|8.904655|5.636002|4.947999|5.647193|6.513714|7.150360|5.401337|4.422521|4.249050|3.252181|3.014132|6.118471|3.839390|6.155275|3.170024|2.627821|2.284561|2.271584|2.574375|3.104540|6.320852|4.446456|0.082397|0.076777|0.065567|0.058440|0.061744|0.068945|0.062651|0.058396|0.056125|0.075146|0.082439|0.085330|0.115663|0.094882|0.102526|0.130027|0.091246|0.111976|0.500000| |2.031957|1.961122|1.806496|1.766477|2.208325|2.611008|2.483634|2.743755|4.068234|3.719294|7.277658|4.034327|0.097677|5.655602|8.928075|17.714777|8.982234|5.673379|4.984742|7.592731|4.779551|3.562298|2.972935|2.864369|2.357680|2.232984|4.431659|2.850471|4.648911|2.533686|2.143633|1.938626|1.987087|2.272209|2.626586|5.522737|3.574010|0.060473|0.058663|0.051193|0.046224|0.048426|0.052347|0.050453|0.047193|0.045479|0.057429|0.062476|0.061849|0.076205|0.065933|0.075730|0.087393|0.067823|0.077203|0.215844|0.500000| |1.873088|1.785926|1.622720|1.653755|1.971753|2.221593|2.059639|2.294472|3.491219|3.016054|5.395623|3.531674|0.092265|4.921669|5.604705|8.875551|17.739345|8.938936|5.658669|13.283183|4.316077|3.016950|2.485836|2.306356|1.973676|1.941241|3.892342|2.735410|4.526530|2.498696|2.112031|1.934594|2.016330|2.336258|2.670205|5.766277|3.475514|0.054584|0.055256|0.047770|0.042123|0.043357|0.046202|0.048060|0.043990|0.042911|0.051125|0.057150|0.051892|0.060698|0.055530|0.065546|0.069570|0.057105|0.069532|0.123745|0.214347|0.500000| |2.890453|2.593219|2.208997|2.382078|2.838247|3.129234|2.704641|2.978078|5.545996|4.691289|7.005272|7.248333|0.232395|8.862214|5.642643|4.980555|5.649074|8.956139|17.659371|12.817984|8.354402|4.451762|3.430270|2.889747|2.490131|2.604351|5.578866|5.593918|9.540032|4.467034|3.471901|2.923044|2.916635|3.426211|4.413169|9.387820|5.666051|0.083636|0.091338|0.071794|0.057178|0.057096|0.061969|0.071790|0.060828|0.061139|0.069418|0.085827|0.065758|0.075786|0.074833|0.087372|0.085344|0.070756|0.121541|0.123948|0.107988|0.124553|0.500000| |2.159586|1.993849|1.751933|1.888414|2.149994|2.311779|2.064917|2.284155|3.768973|3.080855|4.996423|3.967789|0.116642|4.959976|4.161909|4.443573|6.049580|9.989369|7.773651|35.757133|4.998397|3.109467|2.526872|2.225189|1.961678|2.025335|4.171552|3.482421|5.963198|3.189330|2.651093|2.391864|2.483155|2.909198|3.408615|7.343773|4.306620|0.061541|0.066434|0.055323|0.046009|0.046072|0.048929|0.056513|0.049222|0.049238|0.054484|0.064370|0.051795|0.058298|0.056829|0.067105|0.065745|0.056274|0.080296|0.093917|0.101190|0.152034|0.231653|0.500000| |3.071228|2.727751|2.506097|2.299716|2.934131|3.618606|3.658379|3.234696|6.262893|6.390525|11.779845|7.397523|0.147326|6.906555|6.786367|4.920803|4.071547|4.098402|5.001045|5.805480|12.531122|17.667110|9.042682|6.908528|4.646124|4.452276|10.231709|5.709502|7.893838|4.810429|3.719227|3.147204|3.142319|3.672495|4.709604|9.480076|5.974397|0.099461|0.087221|0.076233|0.063891|0.063840|0.075737|0.064486|0.058953|0.059729|0.072008|0.079548|0.084563|0.112179|0.106245|0.083946|0.098763|0.077850|0.118057|0.201985|0.120498|0.094158|0.122704|0.088210|0.500000| |3.056454|2.600858|2.396695|2.228807|2.656664|3.073716|3.104110|2.683540|5.206588|4.638897|7.798240|5.671080|0.129154|5.060184|4.528672|3.728067|3.413131|3.625352|4.348032|5.471686|12.374938|17.661021|9.018616|5.908339|4.541672|4.868250|12.420194|6.918098|8.600380|7.044567|5.012183|4.225826|4.341855|5.362148|7.399985|13.890016|7.336780|0.098751|0.087533|0.078351|0.062726|0.060173|0.071926|0.062689|0.056377|0.059165|0.065032|0.072446|0.073649|0.090267|0.093788|0.070900|0.078409|0.066013|0.105310|0.123938|0.092198|0.081799|0.116022|0.085811|0.304693|0.500000| |3.087467|2.865948|2.842866|2.335244|3.040333|3.854564|4.652414|3.378178|5.732451|5.073938|10.879487|4.315804|0.098551|3.803077|4.003133|3.236321|2.719857|2.654246|3.026443|4.010099|6.325824|6.341141|8.846496|17.809910|8.434423|5.853722|10.464610|3.754759|5.854920|3.346920|2.976369|2.612560|2.515234|2.697363|3.114665|5.611952|5.160506|0.103011|0.081346|0.077525|0.071554|0.072913|0.091045|0.062737|0.060829|0.060997|0.076820|0.077292|0.107936|0.155693|0.139963|0.081987|0.103526|0.085326|0.102176|0.133008|0.087232|0.066915|0.078097|0.061271|0.192220|0.144107|0.500000| |3.312745|3.060903|3.322065|2.467860|2.971613|3.438177|4.446806|2.879143|4.679217|3.530922|6.646471|3.075550|0.076736|2.639974|2.619527|2.240405|1.998091|2.006962|2.262957|3.169228|4.607144|4.031705|5.842900|8.435806|17.801528|8.831733|10.455077|3.147336|5.175461|2.967643|2.909595|2.620136|2.422184|2.432456|2.666905|4.488532|5.340085|0.111793|0.082026|0.087652|0.086308|0.083344|0.112842|0.063928|0.064025|0.066578|0.076311|0.072993|0.112129|0.129788|0.150789|0.070170|0.081866|0.076608|0.087963|0.080727|0.060324|0.050433|0.061216|0.049406|0.105576|0.101534|0.192750|0.500000| |4.265174|3.472631|3.617072|2.817630|3.086100|3.298860|3.796726|2.645513|4.773687|3.423537|5.797153|3.226360|0.083959|2.653111|2.469715|2.119127|1.960945|2.049207|2.358585|3.293624|5.227484|4.276801|6.032507|5.812990|8.609089|17.838638|16.506006|4.014468|6.625483|4.015690|4.347590|3.822853|3.259812|3.083240|3.350020|5.200254|8.485312|0.149040|0.104608|0.120439|0.099564|0.085205|0.117942|0.073526|0.069895|0.078670|0.076217|0.077537|0.094514|0.100265|0.133591|0.067137|0.072238|0.068990|0.097206|0.072265|0.055469|0.049341|0.066383|0.052518|0.100708|0.112702|0.123045|0.194936|0.500000| |2.991252|2.411451|2.253438|2.236915|2.187965|2.193264|2.173666|1.891646|3.373513|2.459171|3.963041|2.713946|0.076380|2.379030|2.106821|1.906933|1.898599|2.091273|2.364266|3.570021|4.530713|3.219003|3.238096|2.731098|2.818093|3.469981|7.019169|4.132660|6.907130|5.621382|8.981555|17.755599|8.851434|5.616099|4.941587|6.516233|13.419360|0.087790|0.086314|0.087875|0.064075|0.055488|0.064384|0.063161|0.055159|0.063996|0.054384|0.060452|0.055322|0.057918|0.067157|0.051547|0.051464|0.048751|0.074612|0.057102|0.048800|0.048556|0.070943|0.059229|0.075918|0.096995|0.066458|0.069640|0.103624|0.500000| |2.298141|1.942848|1.824815|1.806670|1.840335|1.895974|1.881310|1.688038|2.929625|2.227692|3.675764|2.524674|0.069500|2.344954|2.113996|1.967214|1.990703|2.180580|2.386976|3.780873|4.214026|3.116804|2.946520|2.506235|2.473678|2.867752|5.860869|3.566745|5.631631|4.944668|5.672173|8.962478|17.713794|8.966951|5.672067|7.631789|7.618806|0.067850|0.066560|0.064917|0.050899|0.046001|0.052426|0.051285|0.045580|0.050664|0.046357|0.051195|0.047897|0.051513|0.056792|0.046156|0.046870|0.043463|0.063296|0.056514|0.050521|0.051530|0.070520|0.062356|0.075592|0.100050|0.062763|0.061558|0.080939|0.213744|0.500000| |2.231885|1.916891|1.775098|1.763468|1.884012|1.999074|1.960590|1.809289|3.171988|2.521166|4.180799|3.006993|0.080885|2.934085|2.632936|2.484577|2.560106|2.835510|3.065907|4.905081|5.132764|3.838727|3.278009|2.724018|2.523619|2.809632|5.999059|4.087022|6.053806|5.626537|4.942670|5.615655|8.850562|17.755401|8.980402|13.523545|6.526224|0.066613|0.065514|0.060738|0.048387|0.045148|0.051203|0.050496|0.044820|0.048322|0.047330|0.052878|0.049244|0.054794|0.058185|0.049666|0.051174|0.045968|0.067749|0.068544|0.062869|0.065875|0.089390|0.080503|0.094603|0.131960|0.069731|0.061991|0.074945|0.123276|0.213812|0.500000| |2.838200|2.434454|2.163769|2.172226|2.522062|2.815747|2.647567|2.543607|4.872890|4.233013|6.687946|6.126207|0.154498|6.234342|4.851480|4.217062|4.307560|5.197707|6.587214|7.910576|11.746268|7.232754|4.734403|3.644410|3.060937|3.297341|7.612434|7.603264|9.682271|7.638204|4.909002|4.134591|4.431542|6.067939|9.926181|35.686245|6.994605|0.086511|0.085900|0.072651|0.056911|0.054917|0.062595|0.063126|0.054938|0.057382|0.061744|0.071972|0.063944|0.075207|0.077027|0.070277|0.073452|0.062022|0.103845|0.116904|0.097844|0.100725|0.188491|0.129320|0.177182|0.233149|0.094761|0.072742|0.082368|0.093403|0.101160|0.153676|0.500000| 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