Version2.1 2020-12-27T02:38:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)Cc5ccccc5)Cl C15957699 RHF 6-31G(d) (6D,7F) Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)Cc5ccccc5)Cl C01[X(C24H23Cl1N4O4)] 162 C1 545 NC(=O)CC[C@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl NC(=O)CC[C@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl Cc1c(Cl)ccc2c1NC(=O)[C@@]23N[C@H](CCC(N)=O)[C@@H]4[C@H]3C(=O)N(Cc5ccccc5)C4=O InChIKey=YUVYOMNLDQYVSI-SYSFZUQMSA-N InChI=1S/C24H23ClN4O4/c1-12-15(25)8-7-14-20(12)27-23(33)24(14)19-18(16(28-24)9-10-17(26)30)21(31)29(22(19)32)11-13-5-3-2-4-6-13/h2-8,16,18-19,28H,9-11H2,1H3,(H2,26,30)(H,27,33)/t16-,18-,19+,24-/m1/s1 InChI=1/C24H23ClN4O4/c1-12-15(25)8-7-14-20(12)27-23(33)24(14)19-18(16(28-24)9-10-17(26)30)21(31)29(22(19)32)11-13-5-3-2-4-6-13/h2-8,16,18-19,28H,9-11H2,1H3,(H2,26,30)(H,27,33)/t16-,18-,19+,24-/m1/s1/f/h27H,26H2 Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)Cc5ccccc5)Cl C01[X(C24H23Cl1N4O4)] 162 C01 545 NC(=O)CC[C@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl NC(=O)CC[C@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)C[C]1[CH][CH][CH][CH][CH]1)C(=O)N[C]1[C]2[CH][CH][C]([C]1C)Cl C[C]1[C](Cl)[CH][CH][C]2[C]1NC(=O)[C@@]23N[C@H](CCC(N)=O)[C@@H]4[C@H]3C(=O)N(C[C]5[CH][CH][CH][CH][CH]5)C4=O InChIKey=YUVYOMNLDQYVSI-SYSFZUQMSA-N InChI=1S/C24H23ClN4O4/c1-12-15(25)8-7-14-20(12)27-23(33)24(14)19-18(16(28-24)9-10-17(26)30)21(31)29(22(19)32)11-13-5-3-2-4-6-13/h2-8,16,18-19,28H,9-11H2,1H3,(H2,26,30)(H,27,33)/t16-,18-,19+,24-/m1/s1 InChI=1/C24H23ClN4O4/c1-12-15(25)8-7-14-20(12)27-23(33)24(14)19-18(16(28-24)9-10-17(26)30)21(31)29(22(19)32)11-13-5-3-2-4-6-13/h2-8,16,18-19,28H,9-11H2,1H3,(H2,26,30)(H,27,33)/t16-,18-,19+,24-/m1/s1/f/h27H,26H2 3565.1309465726 -1899.0602665 1-A 17158.4088 122 423 545 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83015 -20.56324 -20.56165 -20.55475 -20.51941 -15.62571 -15.61906 -15.57927 -15.56963 -11.37907 -11.37499 -11.36814 -11.34571 -11.31107 -11.30837 -11.30115 -11.28115 -11.27932 -11.27484 -11.26457 -11.26086 -11.25191 -11.24782 -11.24332 -11.24281 -11.24223 -11.23546 -11.23492 -11.23399 -11.23339 -11.23256 -11.23236 -11.22315 -10.56356 -8.03292 -8.02963 -8.02962 -1.44071 -1.42268 -1.41838 -1.38717 -1.30338 -1.29355 -1.25795 -1.21005 -1.19465 -1.16094 -1.12357 -1.10803 -1.09032 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1.5324 2.4039 0.7033 1.5894 1.7203 0.6827 1.6130 1.4436 1.8633 0.9662 1.9335 0.9669 4.2954 1.7471 0.9861 1.5541 2.6682 1.0358 1.6615 2.4151 1.2194 2.2274 3.4183 1.9210 1.6740 2.4353 1.7252 2.2160 1.7511 2.3241 2.8212 1.8426 1.5841 1.2650 2.0098 2.5703 2.6045 2.1317 1.9617 2.1960 1.7651 1.8630 2.0240 2.1545 1.8388 3.0578 1.7208 2.1020 2.2322 2.0893 2.3086 2.8546 2.2679 1.9996 5.5024 1.7827 2.8006 3.7466 1.6902 2.4313 3.2628 1.7460 1.7795 3.7377 1.7562 2.0613 3.5848 9.8007 14.5181 2.3397 10.0577 12.8658 26.5817 23.2556 25.3261 29.8685 6.5235 6.4820 6.3490 6.6160 6.8124 6.8111 7.0034 6.7409 7.0532 7.0849 7.0676 7.2778 7.2072 7.2721 7.3386 7.3891 7.4395 7.4483 7.5700 9.1693 9.0847 9.6809 10.2552 0.0498 0.3216 4.4942 6.8588 0.3276 0.5086 0.9098 1.3171 0.1355 0.0997 0.8655 0.4100 2.9976 3.9325 0.7128 3.2126 8.0523 1.4094 84.8246 175.0771 16.1685 5.4364 1.9527 1.9477 2.6844 3.5608 2.0287 5.7953 5.1716 5.2287 10.9875 20.7341 10.6210 22.3416 0.2211 83.9829 1.4829 41.6971 20.6879 0.6716 20.9995 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59.5276 35.9292 36.9775 104.0582 40.2068 3.5920 259.4831 56.5398 107.1612 52.6558 121.4377 92.9355 59.2807 0.7454 0.7193 0.7495 0.7389 0.7498 0.7442 0.6572 0.7412 0.7432 0.6502 0.7033 0.7038 0.5047 0.6827 0.6729 0.6033 0.3413 0.7471 0.0278 0.5889 0.5837 0.7455 0.7287 0.4919 0.3954 0.6628 0.7412 0.4277 0.5263 0.2006 0.4593 0.1667 0.7431 0.4615 0.6228 0.3178 0.6930 0.7202 0.7075 0.7498 0.5236 0.6630 0.3972 0.2704 0.1283 0.2874 0.7368 0.1425 0.5457 0.7475 0.1430 0.2992 0.3733 0.1956 0.2155 0.5447 0.2213 0.2350 0.4217 0.7396 0.5021 0.7129 0.2730 0.0153 0.5883 0.7282 0.7499 0.1795 0.7473 0.6187 0.7000 0.6582 0.4158 0.7423 0.7474 0.0975 0.7222 0.7434 0.1116 0.3058 0.2453 0.1314 0.4883 0.6705 0.7350 0.3621 0.6534 0.6909 0.1089 0.6825 0.3762 0.7443 0.6799 0.7094 0.3982 0.7490 0.7445 0.3613 0.2112 0.1810 0.1805 0.6492 0.4991 0.7317 0.3923 0.2740 0.1545 0.4999 0.6052 0.7462 0.6228 0.3557 0.6996 0.7480 0.4073 0.4097 0.7431 0.5126 0.4149 0.7256 0.3880 0.6752 0.5010 0.6666 0.7026 0.7499 0.3196 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0.7541 0.8547 0.7675 0.5248 0.8233 0.8559 0.5789 0.5812 0.8527 0.6778 0.5865 0.8410 0.5591 0.8061 0.6676 0.7999 0.8253 0.8571 0.4844 0.7890 0.8473 0.7377 0.8551 0.8347 0.8328 0.7884 0.8212 0.7062 0.7320 0.5392 0.6163 0.5785 0.2662 0.0724 0.2798 0.8544 0.4818 0.8537 0.1416 0.8429 0.8436 0.3538 0.8540 0.8555 0.8569 0.8475 0.4707 0.1838 0.7019 0.2916 0.4380 0.2824 0.3514 0.8207 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 6 6 6 6 6 6 6 7 6 8 6 6 1 6 1 6 1 7 6 6 6 8 7 6 8 7 6 8 6 6 6 6 6 6 6 17 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 14.00307 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 13218.3809 20320.5104 29514.4159 0.99992 0.01134 -0.00548 -0.01137 0.99992 -0.00605 0.00541 0.00611 0.99997 1 0.00655 0.00426 0.00293 0.13653 0.08881 0.06115 16.59 33.45 38.00 40.47 46.15 53.72 80.48 86.57 95.15 123.23 134.23 146.66 194.33 197.93 221.99 239.91 251.11 266.56 308.03 315.40 324.28 350.83 364.36 376.84 422.93 431.11 456.00 463.10 494.63 573.51 587.79 598.42 624.01 652.86 657.40 712.50 723.06 751.11 774.66 791.23 812.19 833.53 870.61 877.92 919.57 931.21 955.84 968.27 973.74 979.19 998.77 1019.80 1073.52 1086.17 1107.85 1129.03 1157.44 1195.21 1213.72 1222.52 1233.09 1260.21 1298.78 1304.70 1318.39 1340.78 1365.63 1370.01 1387.47 1419.24 1432.04 1460.48 1518.72 1536.92 1563.50 1570.02 1588.18 1594.74 1608.77 1622.25 1624.65 1628.84 1645.47 1671.10 1678.14 1682.00 1694.03 1704.37 1717.13 1728.12 1767.05 1776.87 1799.79 1837.48 1852.39 1875.71 1876.90 1888.37 1901.07 1905.83 1927.10 1954.87 1976.13 1993.39 2006.39 2036.73 2049.56 2083.07 2091.35 2112.34 2124.13 2140.72 2169.49 2182.66 2187.34 2190.04 2230.88 2253.66 2264.70 2290.43 2311.60 2321.59 2334.96 2336.60 2343.91 2353.49 2355.85 2371.08 2372.36 2407.04 2570.87 2582.06 2586.26 2608.24 2619.62 2834.28 2840.62 2872.26 2937.62 4599.80 4611.33 4637.48 4662.53 4683.14 4693.59 4724.04 4725.87 4741.65 4753.19 4776.67 4802.11 4827.46 4841.38 4856.54 4867.42 4877.31 4896.90 4926.18 5470.22 5521.76 5612.48 5708.43 0.477300 0.505228 0.506172 0.414126 -1898.582967 -1898.555038 -1898.554094 -1898.646140 3.087238D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1c(ccc2c1NC(=O)[C@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)N)C(=O)N(C4=O)Cc5ccccc5)Cl C15957699 RHF 6-31G(d) (6D,10F) C1 466.140783 |X|Y|Z| 78.478628 98.789570 35.215601 64.873282 23 6 7 20 3 |36.858105| |12.617211|36.858105| |7.478060|13.641606|36.858105| |4.970523|7.790156|13.793464|36.858105| |4.380684|6.710492|7.953020|13.723670|36.858105| |4.963866|7.793004|6.961657|8.011653|13.867329|36.858105| |7.487981|13.764035|8.142573|6.967498|7.968594|13.708778|36.858105| |6.221114|7.627628|5.163744|4.624573|5.340322|8.383160|13.588725|53.358707| |4.332089|5.253158|4.142873|4.084268|5.105600|8.031103|8.308824|19.098790|36.858105| |3.595240|4.035608|3.303110|3.253450|3.903900|5.380362|5.537161|11.408800|15.942301|73.516695| |3.888793|5.136121|4.501170|4.954681|7.254173|12.559557|8.020765|11.009863|12.262196|13.771738|36.858105| |3.188015|3.957400|3.624666|4.018730|5.483192|7.181107|5.381330|7.585883|7.691216|11.431972|12.329820|36.858105| |3.266501|3.926502|3.491916|3.697735|4.710184|6.153589|5.242032|7.831063|7.556536|11.809712|8.711311|17.577789|0.500000| |2.639681|3.126896|2.901627|3.185642|4.114603|4.952869|4.011915|5.899501|6.043911|10.757579|7.811799|12.408496|0.241067|36.858105| |2.532952|2.905300|2.643184|2.810929|3.480077|4.218645|3.673632|5.698831|5.868192|11.865950|6.261363|8.662515|0.219422|17.654270|0.500000| |2.646033|3.158252|2.962085|3.291243|4.290805|5.067212|4.034917|5.812362|5.875282|10.214864|7.851021|7.724104|0.157226|12.244597|0.241056|36.858105| |2.391741|2.844042|2.758858|3.134239|4.033629|4.394200|3.488813|4.809645|4.487182|7.699140|5.948840|6.120864|0.128990|8.766618|0.179996|17.531223|0.500000| |3.215329|4.055396|3.781280|4.295953|6.055003|7.718890|5.501868|7.475923|7.521609|10.976874|13.184236|8.204523|0.162590|8.031275|0.170128|13.023730|0.256148|53.358707| |2.440859|2.790716|2.572100|2.748175|3.365834|3.951073|3.456585|5.240141|5.164736|10.180139|5.508645|5.171611|0.121333|7.350576|0.202464|12.450145|0.248912|10.292585|36.858105| |2.055241|2.300149|2.155799|2.300180|2.738147|3.079876|2.744296|4.090039|3.792854|7.529804|3.999651|4.138828|0.101587|5.983162|0.177162|7.506505|0.197263|6.724534|12.470048|36.858105| 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|2.003192|2.296312|2.225254|2.460856|2.986444|3.206569|2.715814|3.817610|3.417818|6.185700|4.043102|5.341793|0.129700|7.858119|0.194234|5.982075|0.180886|5.959668|4.818807|5.321289|3.820084|5.671068|4.882741|15.979099|73.516695| |2.381578|2.847708|2.820580|3.249726|4.147949|4.327972|3.419010|4.537057|3.974355|6.564468|5.293951|8.117696|0.180445|8.153461|0.167538|5.824885|0.167660|7.045901|4.106144|3.820546|2.931451|4.670508|3.634006|13.847582|14.865743|53.358707| |2.855615|3.551438|3.499905|4.104762|5.574145|5.991884|4.425032|5.657034|4.920345|7.559957|7.230765|12.494671|0.251890|7.920128|0.161939|5.822643|0.153052|8.250242|4.039430|3.500787|2.755933|4.514638|3.362162|8.263867|9.846344|18.821017|36.858105| |2.975813|3.760935|3.875095|4.701425|6.236494|5.992417|4.473177|5.361561|4.294471|6.473045|5.958662|7.802252|0.189427|5.340511|0.120065|4.436065|0.119518|6.705495|3.302978|2.894360|2.367735|3.948055|2.918848|5.547873|7.511258|11.417210|16.015471|73.516695| |2.091639|2.457782|2.500840|2.890126|3.501735|3.441585|2.819149|3.676874|3.066886|5.117687|3.852273|5.068615|0.124345|5.084187|0.117234|4.193921|0.126738|5.238244|3.233116|3.147397|2.521129|4.045520|3.208374|7.628651|11.793251|17.744297|7.635437|11.870791|36.858105| |1.990340|2.345356|2.445578|2.888321|3.464120|3.244040|2.641616|3.377661|2.772391|4.593351|3.502913|4.156751|0.099723|4.237185|0.097924|3.950844|0.126966|5.053102|3.083805|3.002934|2.437970|3.964408|3.080487|5.708631|9.456070|10.451916|5.728032|9.625995|12.580695|36.858105| |2.055164|2.446047|2.634619|3.202988|3.766365|3.319552|2.692084|3.332977|2.653695|4.304580|3.362616|3.765395|0.091287|3.592992|0.084011|3.476859|0.108845|4.771870|2.753649|2.607050|2.171928|3.611364|2.728959|4.336449|6.992122|7.779015|5.151484|9.750999|7.553775|13.708108|36.858105| |1.907811|2.246188|2.447174|2.963344|3.363441|2.927469|2.424071|2.997830|2.357306|3.848563|2.916199|3.098378|0.075819|3.024590|0.072241|3.077931|0.097463|4.257858|2.525865|2.408235|2.049318|3.448764|2.577450|3.494717|5.843570|5.694320|3.885577|7.238869|5.015303|7.908298|13.748356|36.858105| |1.744132|2.023682|2.165712|2.558367|2.895743|2.607350|2.192821|2.769875|2.201491|3.661096|2.672357|2.823668|0.069182|2.890939|0.069919|3.016548|0.098110|4.024890|2.539538|2.487035|2.128667|3.569563|2.691837|3.365089|5.881184|5.137272|3.374721|5.977162|4.430943|6.839958|7.933253|13.750456|36.858105| |1.703627|1.965178|2.056799|2.389247|2.751381|2.569804|2.164783|2.794513|2.267091|3.832426|2.740427|2.976642|0.072609|3.194856|0.077310|3.310161|0.110774|4.189006|2.791049|2.823063|2.376950|3.909008|3.026889|3.896223|7.132676|5.721965|3.520979|5.946275|5.016403|7.907674|6.881267|7.948298|13.748486|36.858105| |1.805990|2.094723|2.164264|2.509484|2.958942|2.822631|2.349077|3.059688|2.526640|4.281571|3.100362|3.552304|0.085828|3.888247|0.092284|3.821955|0.128397|4.674789|3.107654|3.158908|2.574188|4.150210|3.280581|5.185603|9.609160|7.848610|4.380139|7.121366|7.557038|13.704691|7.949211|6.881866|7.933821|13.750887|36.858105| |6.221390|7.019376|10.903064|7.099310|4.780770|4.249421|4.806095|4.979949|3.046260|4.581705|3.186403|2.733532|0.074443|2.293792|0.059166|2.335604|0.061607|3.844336|2.091768|1.805041|1.644742|2.955536|2.025323|2.097017|3.302816|3.100946|2.701767|5.307632|2.092375|2.070546|2.247972|2.139116|1.907915|1.795716|1.858601|448.794386| |17.568024|8.843542|6.589697|4.543032|3.934336|4.276462|5.888723|6.903118|3.770424|5.719354|3.437729|2.816948|0.078710|2.405227|0.064169|2.467974|0.062628|4.059519|2.314605|1.957316|1.818482|3.324057|2.220637|2.094731|3.309332|2.954646|2.549707|4.693082|1.927129|1.861503|1.929065|1.818131|1.674929|1.629870|1.708259|50.427866|0.500000| |17.598033|8.825551|5.537424|4.138484|3.922764|4.695024|7.136166|9.791925|4.766089|7.180254|3.950350|3.257229|0.094694|2.722463|0.074010|2.702690|0.066845|4.397325|2.539711|2.133460|1.969209|3.565842|2.407071|2.313555|3.620829|3.231380|2.824884|5.108269|2.064051|1.941429|1.972405|1.822202|1.680861|1.661148|1.772449|36.949850|0.302277|0.500000| |17.582578|8.858007|6.692475|4.569581|3.930539|4.254491|5.819224|6.734927|3.685085|5.578779|3.399893|2.927574|0.084565|2.426297|0.064849|2.386621|0.060629|3.852089|2.194415|1.883576|1.730901|3.108629|2.139187|2.141365|3.363243|3.078685|2.698291|5.093980|2.017399|1.912849|1.986015|1.841265|1.674778|1.629837|1.727594|52.097282|0.302645|0.303016|0.500000| |4.075937|5.597305|8.958483|17.762252|8.888368|5.675662|5.004823|4.994929|3.346920|4.924981|4.008467|3.440678|0.088145|2.830501|0.069629|2.931272|0.079669|4.996248|2.473310|2.116426|1.867771|3.310446|2.277013|2.650058|4.088129|4.096234|3.663458|7.566217|2.777645|2.851311|3.265453|3.100551|2.639551|2.406252|2.480820|54.795762|0.107425|0.095588|0.108244|0.500000| |3.514429|4.871195|5.655987|8.908584|17.771523|8.929559|5.652789|5.887191|4.435333|6.328541|6.521914|5.469652|0.125028|4.284067|0.097728|4.534661|0.124685|8.404901|3.434360|2.838850|2.378466|4.131748|2.840324|3.966277|5.778781|6.398644|6.188288|12.441388|4.029369|4.157874|4.680889|4.134111|3.457442|3.230370|3.471621|31.717068|0.089809|0.089529|0.089689|0.213936|0.500000| |6.591992|6.700349|4.548759|3.926909|4.262813|5.899073|8.887968|26.079033|9.261201|13.155529|5.760360|4.445176|0.131107|3.680700|0.102261|3.624673|0.084880|5.967101|3.438120|2.759261|2.501185|4.507401|2.993154|2.910878|4.467234|3.920448|3.461390|5.887245|2.391081|2.203844|2.173252|1.975572|1.840324|1.858215|2.019673|27.779780|0.149954|0.244772|0.144009|0.089426|0.098801|0.500000| |3.288235|4.086870|3.780420|4.183699|5.552770|6.866220|5.395038|7.391120|6.947099|10.412357|9.209939|5.879072|0.129709|5.870706|0.138082|9.137928|0.201888|25.944071|7.309781|4.690916|3.802726|6.868751|4.126012|4.368526|6.520118|5.556790|4.632887|7.134938|3.227954|3.194337|3.081545|2.847375|2.729856|2.807300|3.030487|22.916250|0.086750|0.091793|0.078985|0.099646|0.151447|0.123633|0.500000| |2.596393|2.920715|2.613940|2.718689|3.282526|4.000825|3.664062|5.899905|6.063460|13.493410|5.640659|5.168578|0.127952|6.818608|0.211481|8.837153|0.174759|9.185535|17.602966|8.821332|6.785294|11.401385|6.617995|4.672439|7.515825|5.112466|3.836174|5.648657|2.962254|2.761639|2.500682|2.283562|2.264066|2.451617|2.726087|17.036648|0.067982|0.076650|0.064400|0.067174|0.089993|0.109234|0.186008|0.500000| |2.418629|2.756837|2.565157|2.740617|3.307207|3.787402|3.348356|4.960007|4.627115|8.723324|4.925572|4.316417|0.102329|5.436247|0.144534|8.900445|0.213064|9.583696|17.565330|8.936842|7.055512|13.164146|6.431521|4.249510|7.035179|4.820083|3.540628|5.344204|2.898761|2.865044|2.623877|2.469553|2.504770|2.711911|2.919929|16.876931|0.064803|0.069336|0.059996|0.068957|0.093703|0.091325|0.219289|0.303693|0.500000| |1.941273|2.186247|2.090290|2.264839|2.694462|2.935715|2.572697|3.715084|3.350435|6.353816|3.696959|3.856624|0.093189|5.422332|0.147837|6.943113|0.217320|6.358289|8.819037|17.502542|9.027436|11.568404|9.165304|5.157224|10.044747|5.315579|3.459260|5.122702|3.314146|3.272188|2.800846|2.618525|2.770834|3.224725|3.584599|14.141810|0.051583|0.055269|0.049699|0.058632|0.079385|0.069315|0.122547|0.173056|0.211638|0.500000| |2.015881|2.246217|2.098237|2.230495|2.649597|2.993956|2.680768|4.026453|3.746640|7.568441|3.908978|4.335418|0.109263|6.576090|0.215217|6.745276|0.173241|6.137694|8.766037|17.558897|8.884579|10.587656|10.185496|5.797418|11.301212|5.592143|3.660973|5.303188|3.352001|3.075198|2.618754|2.374462|2.431890|2.783266|3.201366|14.133064|0.052833|0.058391|0.051764|0.056996|0.076123|0.075682|0.114433|0.210079|0.173708|0.305054|0.500000| |1.644917|1.781494|1.681181|1.762858|2.012627|2.203090|2.042026|3.027818|2.633869|5.242070|2.657678|2.822442|0.074115|3.628935|0.111907|3.784379|0.104355|4.048291|4.720321|7.379575|9.237804|10.825964|26.108887|3.511331|7.076371|3.818710|2.537179|3.896510|2.497963|2.376275|2.073675|1.945705|2.038977|2.324012|2.551627|11.709568|0.043809|0.047585|0.042673|0.045888|0.057557|0.058799|0.079875|0.122927|0.117122|0.187199|0.224334|0.500000| |1.594699|1.704708|1.603046|1.662166|1.870410|2.045278|1.932233|2.876492|2.454046|4.893910|2.415024|2.454275|0.064778|3.003611|0.091021|3.261709|0.088799|3.681659|4.205094|5.710078|9.413195|13.724046|26.055798|2.809349|5.382568|3.190870|2.193402|3.437603|2.101466|2.034448|1.825201|1.740336|1.820243|2.027314|2.164899|11.272561|0.042946|0.046272|0.041199|0.043314|0.052912|0.056687|0.075306|0.113494|0.112726|0.143377|0.149725|0.310000|0.500000| |2.131381|2.501651|2.568572|2.963443|3.515020|3.402343|2.824944|3.633731|2.951527|4.869245|3.645891|4.735610|0.122029|4.369069|0.103879|3.609812|0.105104|4.730685|2.851269|2.736781|2.248915|3.656421|2.876336|5.792784|8.922813|12.621093|7.313011|13.272483|17.645703|8.869518|7.154322|4.729397|3.976589|4.209131|5.654902|17.374292|0.054189|0.058097|0.057816|0.079658|0.110731|0.065882|0.082131|0.074336|0.071765|0.078546|0.080702|0.061781|0.052888|0.500000| |1.913696|2.204221|2.215246|2.500683|2.961503|2.973990|2.512412|3.354016|2.806288|4.817179|3.373905|4.391910|0.111951|4.714721|0.114587|3.851077|0.115926|4.626928|3.105883|3.155596|2.543764|4.024470|3.308331|7.327769|13.308889|12.643366|5.792099|8.926282|17.645987|8.869167|5.669331|4.215463|3.977225|4.722175|7.127417|15.116712|0.049187|0.052937|0.051387|0.066797|0.092003|0.061498|0.080695|0.079327|0.076767|0.092679|0.095705|0.072811|0.060062|0.301634|0.500000| |2.202765|2.647161|2.893417|3.567942|4.158040|3.570436|2.887565|3.506961|2.743751|4.383502|3.484915|3.910327|0.096403|3.517833|0.082651|3.320720|0.099913|4.718364|2.630685|2.448411|2.054884|3.438354|2.580967|4.096296|6.407127|7.621615|5.561492|11.778053|7.019163|8.919138|17.717373|8.915761|5.644413|4.956301|5.651363|19.732017|0.056932|0.058261|0.059630|0.101844|0.143567|0.063280|0.084462|0.067641|0.069427|0.071503|0.068674|0.054242|0.048100|0.215503|0.144030|0.500000| |1.911358|2.247172|2.497807|3.045680|3.338031|2.832577|2.375153|2.897145|2.233859|3.623686|2.729347|2.826145|0.070103|2.697188|0.065208|2.758749|0.085302|3.922980|2.301068|2.172170|1.878181|3.197168|2.362864|3.006842|4.996736|4.842921|3.469915|6.678815|4.091842|5.635016|8.923683|17.713573|8.911512|5.648338|4.956317|17.846642|0.050860|0.050227|0.051519|0.091241|0.113030|0.053272|0.074131|0.058504|0.063133|0.064803|0.059250|0.049215|0.044649|0.112261|0.097118|0.215339|0.500000| 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