Version2.2 2021-02-12T07:45:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)S(=O)(=O)NC(C)C)NC3CCCCC3 C14542106 RHF 6-31G(d) (6D,7F) C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)S(=O)(=O)NC(C)C)NC3CCCCC3 C01[X(C24H33N3O3S1)] 186 C1 535 CC(NS(=O)(=O)c1cc(NC2CCCCC2)cc(c1)C(=O)N[C@H](c1ccccc1)C)C CC(NS(=O)(=O)c1cc(NC2CCCCC2)cc(c1)C(=O)N[C@H](c1ccccc1)C)C CC(C)N[S](=O)(=O)c1cc(NC2CCCCC2)cc(c1)C(=O)N[C@@H](C)c3ccccc3 InChIKey=CUDGGBWHZVLDLC-SFHVURJKSA-N InChI=1S/C24H33N3O3S/c1-17(2)27-31(29,30)23-15-20(14-22(16-23)26-21-12-8-5-9-13-21)24(28)25-18(3)19-10-6-4-7-11-19/h4,6-7,10-11,14-18,21,26-27H,5,8-9,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1 InChI=1/C24H33N3O3S/c1-17(2)27-31(29,30)23-15-20(14-22(16-23)26-21-12-8-5-9-13-21)24(28)25-18(3)19-10-6-4-7-11-19/h4,6-7,10-11,14-18,21,26-27H,5,8-9,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1/f/h25H C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)S(=O)(=O)NC(C)C)NC3CCCCC3 C01[X(C24H33N3O3S1)] 186 C01 535 CC(NS(=O)(=O)c1cc(NC2CCCCC2)cc(c1)C(=O)N[C@H](c1ccccc1)C)C CC(NS(=O)(=O)[C]1[CH][C]([CH][C]([CH]1)C(=O)N[C@H]([C]1[CH][CH][CH][CH][CH]1)C)NC1CCCCC1)C CC(C)N[S](=O)(=O)[C]1[CH][C]([CH][C]([CH]1)C(=O)N[C@@H](C)[C]2[CH][CH][CH][CH][CH]2)NC3CCCCC3 InChIKey=CUDGGBWHZVLDLC-SFHVURJKSA-N InChI=1S/C24H33N3O3S/c1-17(2)27-31(29,30)23-15-20(14-22(16-23)26-21-12-8-5-9-13-21)24(28)25-18(3)19-10-6-4-7-11-19/h4,6-7,10-11,14-18,21,26-27H,5,8-9,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1 InChI=1/C24H33N3O3S/c1-17(2)27-31(29,30)23-15-20(14-22(16-23)26-21-12-8-5-9-13-21)24(28)25-18(3)19-10-6-4-7-11-19/h4,6-7,10-11,14-18,21,26-27H,5,8-9,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1/f/h25H 3261.4509726733 -1713.4670501 1-A 19458.1133 119 416 535 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20196 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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| 10.6818 12.5987 17.3949 22.8525 30.5705 35.4600 44.3780 50.4529 52.4008 69.3296 90.6506 117.3350 124.4633 139.7189 161.5159 179.5256 200.2581 216.8658 225.1456 236.2537 247.7219 251.5310 254.7605 269.1160 275.7999 283.4942 301.0319 321.9434 336.6099 346.0989 354.3873 362.5667 381.9187 390.9464 446.8803 454.3133 455.8294 460.8753 472.5770 480.7756 503.3429 509.5497 516.4117 544.2222 557.0079 571.5777 584.9901 605.3847 631.8857 637.9846 651.9802 671.7541 680.8313 698.0136 705.0143 758.6028 783.8060 803.8383 857.6377 860.4136 862.3160 864.6010 872.9928 910.8545 912.4162 952.9239 960.5160 965.8013 976.6113 983.9480 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11.8145 4.3215 8.1058 8.4543 3.9740 4.1810 23.5473 12.8102 50.3936 32.4169 19.7768 18.5992 61.3218 2.5528 42.2333 27.5727 22.9059 2.3428 155.6503 83.0966 2.0285 41.3101 56.2677 23.7728 34.8685 11.4099 0.2302 26.8317 23.5426 18.1040 9.1813 4.1544 21.9829 80.1962 0.2671 7.1783 42.6541 6.3277 52.6229 47.7227 3.9146 0.8606 6.4192 0.7961 6.0570 1.4977 3.2746 7.7503 0.4776 62.2014 0.0411 141.5065 15.0265 7.4746 0.4703 1.9885 2.2700 0.1046 3.9479 5.8339 3.2553 57.3536 21.2408 66.5435 17.2776 0.5578 40.2826 234.2066 17.6107 20.9378 10.0008 40.8467 0.3761 3.4830 0.7111 13.5387 255.2405 14.8021 9.0811 5.1639 111.1105 3.2219 108.4873 12.2520 7.5769 80.6502 10.6150 50.5008 1.8489 21.9415 17.1112 2.5808 8.6786 2.3481 0.7580 5.8442 19.2402 4.6051 31.2877 52.4051 107.5208 10.8213 29.3761 5.2059 0.1109 1.5991 2.0354 1.7764 8.6982 18.9940 7.2289 8.3636 1.0668 104.7368 399.6199 179.4834 2.8317 225.1409 18.5790 1.5875 288.9561 20.1518 8.5348 26.5604 2.1005 57.4302 18.4369 44.2765 26.5343 22.7338 87.6368 54.9714 31.5889 101.8825 3.6570 17.7579 77.0236 5.5677 42.1013 51.7123 38.7403 17.2794 22.3292 6.5030 0.9124 16.1858 44.5259 22.1226 3.1351 10.4916 6.3475 57.9857 12.7893 32.2767 0.4228 0.2858 0.6582 1.2404 6.5604 1.0436 1.5050 0.6169 2.7178 1.0607 0.8812 0.8954 1.4143 1.5725 0.4674 0.9575 3.1212 2.1448 3.2357 0.9221 0.7091 0.1021 0.4422 0.5067 1.0927 0.8380 0.4048 1.7916 1.5167 4.0004 0.7328 1.3598 0.7357 0.5790 2.0517 1.3448 0.1353 0.3081 1.4771 1.6646 2.1257 0.7402 0.9782 0.4135 0.9962 2.9758 0.2788 1.7832 0.9108 1.1298 1.5934 1.2632 4.9414 1.0394 1.1587 0.5866 0.6495 2.7101 3.5717 1.3189 4.5963 7.4020 20.8105 6.6005 1.5155 2.7193 2.7548 1.8027 1.4074 7.8104 3.7219 2.7340 1.4506 1.5135 1.6067 7.5700 0.8385 1.0441 2.9804 49.2431 32.9404 4.2085 0.2521 4.4479 13.1706 12.5587 0.1001 4.0331 8.2627 0.6919 0.8398 2.2028 3.9982 4.1115 2.8255 2.9268 3.1348 6.7355 2.2889 4.0170 1.5566 0.7492 3.6449 6.3460 5.2124 12.2309 6.4979 2.5738 3.1911 0.8853 8.0667 29.0073 9.8605 13.6738 3.7589 2.0856 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1.00783 1.00783 1.00783 12474.7853 23821.8320 32517.6113 0.99972 -0.02187 0.00902 0.02189 0.99976 -0.00238 -0.00897 0.00258 0.99996 1 0.00694 0.00364 0.00266 0.14467 0.07576 0.05550 15.37 18.13 25.03 32.88 43.98 51.02 63.85 72.59 75.39 99.75 130.43 168.82 179.07 201.02 232.39 258.30 288.13 312.02 323.93 339.92 356.42 361.90 366.54 387.20 396.81 407.88 433.12 463.20 484.31 497.96 509.88 521.65 549.50 562.48 642.96 653.66 655.84 663.10 679.93 691.73 724.20 733.13 743.00 783.01 801.41 822.37 841.67 871.01 909.14 917.92 938.05 966.50 979.56 1004.29 1014.36 1091.46 1127.72 1156.54 1233.95 1237.94 1240.68 1243.97 1256.04 1310.52 1312.76 1371.04 1381.97 1389.57 1405.13 1415.68 1431.07 1441.20 1452.23 1463.96 1473.05 1484.71 1492.23 1500.16 1521.59 1550.63 1566.35 1581.66 1587.74 1597.34 1603.91 1620.44 1622.81 1643.26 1649.50 1688.70 1696.65 1723.76 1728.17 1742.01 1750.48 1775.79 1782.96 1796.01 1803.16 1813.56 1832.62 1840.40 1852.35 1875.82 1877.08 1902.11 1904.81 1932.02 1978.67 1990.30 2019.42 2024.02 2070.85 2075.06 2090.48 2108.24 2109.89 2116.59 2124.15 2135.72 2164.93 2173.56 2185.04 2191.06 2195.91 2202.62 2229.84 2243.11 2247.71 2267.08 2284.00 2312.12 2317.76 2333.06 2345.20 2345.42 2347.07 2349.77 2353.24 2359.93 2363.72 2373.91 2374.58 2381.39 2387.21 2404.45 2427.62 2460.38 2567.86 2578.74 2592.05 2608.73 2793.38 4566.32 4578.12 4583.68 4587.89 4592.04 4601.52 4612.66 4628.72 4635.09 4656.39 4657.50 4664.47 4668.72 4681.59 4683.85 4684.10 4689.79 4721.69 4724.76 4738.29 4764.06 4765.45 4823.20 4831.94 4845.90 4859.18 4876.11 4879.97 4904.63 4950.26 5470.55 5494.55 5589.97 0.585328 0.614487 0.615431 0.519872 -1712.881722 -1712.852563 -1712.851619 -1712.947178 3.205065D-04 MUNgauss RevisionA2.1 retrievium 12-Feb-2021 DUDE C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)S(=O)(=O)NC(C)C)NC3CCCCC3 C14542106 RHF 6-31G(d) (6D,10F) C1 443.224264 |X|Y|Z| 77.979598 110.200204 35.116713 67.074753 22 6 7 20 2 |36.858105| |12.447444|36.858105| |8.946581|17.595073|0.500000| |7.509688|12.538821|0.248895|36.858105| |5.308580|7.550674|0.206017|13.724975|36.858105| |4.005156|5.006193|0.133825|7.891882|13.733509|36.858105| |3.733889|4.416352|0.111096|6.817542|7.933652|13.769768|36.858105| |4.304044|4.996608|0.116542|7.889322|6.893117|7.959414|13.737119|36.858105| |6.067563|7.505912|0.155406|13.673795|7.971598|6.891809|7.932692|13.766183|36.858105| |7.714329|12.999225|0.255619|7.836396|5.445170|4.088126|3.815949|4.420269|6.300019|53.358707| |6.009633|7.754117|0.202839|5.170030|4.148569|3.266533|3.029716|3.365634|4.350990|19.127663|36.858105| |5.965119|6.859870|0.206229|4.526779|3.830071|3.016541|2.745296|2.969121|3.730811|11.540490|15.854817|73.516695| |4.196520|5.006386|0.131313|3.971026|3.341635|2.797738|2.671756|2.962316|3.627961|10.671559|12.653073|14.345030|36.858105| |3.788146|4.365963|0.108878|3.748249|3.115915|2.702526|2.680552|3.053226|3.685968|8.928010|7.531059|9.498927|13.739614|36.858105| |2.968097|3.317007|0.085339|2.984194|2.589279|2.321112|2.322887|2.596212|2.985157|6.058865|4.992727|7.130658|7.858442|13.637081|36.858105| |2.640829|2.939604|0.078522|2.628054|2.351835|2.111824|2.076759|2.259828|2.558790|5.147704|4.460691|6.800167|6.888362|7.971455|13.678473|36.858105| |2.775893|3.121506|0.085994|2.706697|2.447789|2.158592|2.075004|2.225527|2.544109|5.444516|5.096611|8.090645|8.029785|6.944696|7.915830|13.778583|36.858105| |3.389203|3.915342|0.109366|3.219733|2.864656|2.446419|2.310812|2.484936|2.923843|7.156156|7.707011|11.984490|13.728633|7.900730|6.760879|7.878762|13.793192|36.858105| |2.285543|2.516618|0.071086|2.227047|2.079143|1.863294|1.780448|1.870281|2.087222|4.095067|3.663090|6.304713|4.744820|4.216480|4.730109|7.003624|10.731907|6.968046|388.023441| |2.322127|2.580930|0.075018|2.267264|2.154014|1.914817|1.797644|1.861307|2.077239|4.098329|3.698117|6.655864|4.442452|3.708988|3.830555|4.983065|7.368831|6.541813|94.655871|73.516695| |2.022153|2.226055|0.062294|2.029126|1.911960|1.746351|1.685746|1.764221|1.933998|3.575425|3.043522|5.133499|3.853579|3.702259|4.398059|6.436227|7.297965|4.982147|94.533635|13.612953|73.516695| |2.160539|2.293080|0.064272|2.017547|1.870082|1.682097|1.619620|1.712085|1.910192|3.660450|3.252476|5.763272|4.034128|3.694247|4.121291|5.613865|7.081240|5.370478|82.815737|13.422737|13.888025|53.358707| |2.210949|2.298261|0.065117|1.990151|1.845975|1.648731|1.577105|1.663492|1.865597|3.590399|3.227557|6.008879|3.764517|3.324447|3.469540|4.282921|5.380309|4.859301|49.774081|11.358200|8.911237|17.632236|36.858105| |1.961092|2.038196|0.058521|1.790487|1.691680|1.522969|1.449126|1.509118|1.671889|3.094669|2.707060|5.107192|3.019738|2.684506|2.774347|3.325733|4.036304|3.764645|38.868643|10.265759|7.720268|10.423270|12.469928|36.858105| |2.141894|2.166014|0.060403|1.881642|1.729332|1.553295|1.501734|1.597591|1.790013|3.355172|2.950976|5.460336|3.378479|3.117622|3.264677|3.822511|4.344760|4.002088|34.471783|7.622217|6.979228|10.678066|12.482149|7.511858|36.858105| |2.639033|2.876413|0.073267|2.691984|2.350721|2.163605|2.217727|2.498725|2.796693|4.985828|3.830052|5.668929|5.137778|7.792271|13.717381|7.934860|5.194323|4.530206|26.489636|5.462571|6.586625|4.650759|2.914315|2.400209|2.846321|53.358707| |2.679091|2.921165|0.072826|2.845739|2.462962|2.308573|2.432985|2.802850|3.088688|4.963309|3.546258|5.219526|4.349255|6.335213|7.604024|5.118568|3.898231|3.675859|21.066628|4.570798|5.249448|3.709731|2.411525|2.046201|2.369155|17.818018|36.858105| |2.280899|2.412127|0.060824|2.375695|2.095514|2.001050|2.127142|2.424519|2.595268|3.899424|2.798747|4.292564|3.281361|4.305707|5.072244|3.962257|3.126922|2.912649|18.064668|3.932571|4.598007|3.291085|2.156429|1.856434|2.166246|10.687036|12.445530|36.858105| |2.195817|2.307176|0.057840|2.344174|2.078726|2.027601|2.207151|2.536832|2.636116|3.613071|2.509123|3.883264|2.801683|3.511044|3.797873|3.085328|2.574378|2.474751|15.250324|3.414358|3.864219|2.775461|1.856268|1.628199|1.862525|6.828915|7.517002|12.438901|36.858105| |2.149540|2.314941|0.058319|2.419845|2.181216|2.167359|2.385694|2.713819|2.737950|3.593516|2.453569|3.784228|2.711483|3.327717|3.539536|2.932911|2.487342|2.406127|14.849611|3.368933|3.796953|2.639138|1.760336|1.562224|1.733935|6.009640|6.414059|7.515598|12.442733|36.858105| |2.472502|2.753329|0.068642|2.922941|2.605975|2.575919|2.844844|3.280692|3.338437|4.374902|2.912036|4.374366|3.228573|4.042188|4.147340|3.322371|2.827949|2.786737|16.393814|3.746001|4.141919|2.841525|1.891359|1.670540|1.832972|6.738636|7.507712|6.448091|7.540285|12.444660|36.858105| |2.592060|2.932087|0.073683|2.979453|2.635253|2.518590|2.675517|3.042869|3.250415|4.904230|3.389462|4.979761|4.028737|5.410390|6.004947|4.504944|3.614960|3.459800|20.053305|4.463788|5.088875|3.402300|2.211328|1.919468|2.119611|10.352812|12.404525|7.556067|6.457537|7.530638|12.435786|36.858105| |17.566196|8.774630|0.173994|6.776171|4.700935|3.782164|3.744583|4.573810|6.566086|9.440633|5.325443|8.820599|4.022489|3.861219|3.034092|2.633823|2.690955|3.200029|15.641816|3.893368|3.500488|2.855651|2.126964|1.874790|2.092578|3.760376|2.868678|2.454181|2.388256|2.310390|2.645528|2.731789|0.500000| |17.557488|8.828785|0.214629|6.870482|5.410405|4.142251|3.787240|4.197293|5.535960|7.616125|4.617132|8.463898|3.431510|3.129369|2.546394|2.306797|2.425658|2.898253|14.613108|3.747556|3.262692|2.654056|2.005356|1.810286|1.944620|3.132289|2.347423|2.039149|1.988896|1.962521|2.232248|2.300917|0.300853|0.500000| |17.608357|8.837797|0.216169|5.494315|4.274983|3.336525|3.104582|3.487005|4.603511|9.551386|6.502898|12.847372|4.437980|3.852893|3.025387|2.738189|2.935125|3.645260|17.229821|4.395952|3.745937|3.164234|2.425601|2.135358|2.360754|3.603804|2.614454|2.234783|2.114721|2.043790|2.321651|2.480033|0.300630|0.300657|0.500000| |5.008157|7.021124|0.229579|8.921534|17.708040|8.929362|5.649731|4.961748|5.656865|6.941479|4.155556|7.132030|3.304063|2.976443|2.492187|2.315659|2.463173|2.913539|15.104598|3.989269|3.443851|2.590407|1.894159|1.750802|1.757352|3.038976|2.288312|1.954855|1.915607|1.997784|2.358402|2.429457|0.117530|0.144519|0.117767|0.500000| |3.384982|4.090063|0.114711|5.630604|8.921448|17.715356|8.917152|5.651909|4.961628|4.680561|2.876848|4.823326|2.507042|2.405627|2.106241|1.949068|2.003412|2.248877|12.534301|3.247224|2.952516|2.164739|1.561335|1.457685|1.466012|2.678199|2.079663|1.824116|1.846309|1.979129|2.319371|2.273043|0.088121|0.098510|0.080994|0.215973|0.500000| |3.101432|3.535147|0.090966|4.923124|5.641078|8.911529|17.717110|8.902117|5.642346|4.297724|2.599929|4.232408|2.350062|2.378194|2.108603|1.900552|1.887861|2.068608|11.678796|2.941958|2.792336|2.040711|1.456971|1.347307|1.390983|2.778725|2.247906|2.002627|2.104870|2.299807|2.696383|2.487740|0.087045|0.087906|0.073614|0.124203|0.214652|0.500000| |3.715863|4.079093|0.096339|5.626709|4.962032|5.653471|8.908083|17.711983|8.930203|5.172815|2.998045|4.713349|2.724983|2.884948|2.505843|2.167497|2.100203|2.301726|12.604524|3.102725|3.000474|2.226385|1.583332|1.435826|1.533594|3.368564|2.840906|2.508607|2.701390|2.909657|3.469409|3.081959|0.113377|0.100224|0.086068|0.107666|0.124157|0.214579|0.500000| |6.326001|6.951578|0.140228|8.889887|5.654978|4.960661|5.649958|8.948350|17.702094|8.908928|4.534104|6.776898|3.845605|4.058894|3.236768|2.703468|2.643725|3.023547|15.198869|3.723457|3.513981|2.693618|1.931117|1.711214|1.875103|4.176431|3.445936|2.879088|2.927257|2.962977|3.592767|3.497755|0.216436|0.150386|0.135257|0.124138|0.107652|0.124260|0.216397|0.500000| |5.892163|9.036519|0.191721|7.711556|5.461237|4.287963|4.131049|4.893312|6.893435|26.081235|9.457348|10.965850|7.483952|7.206489|4.858801|3.969343|4.026477|5.035056|21.283303|5.231616|4.760369|3.578961|2.515002|2.173999|2.346442|5.510572|4.172697|3.167748|2.946957|2.992062|3.795489|4.295690|0.159760|0.128643|0.145568|0.135867|0.099050|0.094642|0.117119|0.198040|0.500000| |4.189580|4.771004|0.112644|4.189373|3.342469|2.907850|2.954216|3.493811|4.327729|9.859592|6.982637|8.813953|8.957542|17.768862|8.900062|5.660865|4.993919|5.645536|24.236210|5.482994|5.469983|4.199200|2.851399|2.359613|2.744101|9.646862|6.975105|4.627206|3.903047|3.663284|4.549799|5.819539|0.124117|0.094550|0.114434|0.086133|0.070603|0.072152|0.092493|0.139253|0.234483|0.500000| |2.302573|2.527094|0.067848|2.307370|2.096597|1.913986|1.893260|2.044362|2.269327|4.257991|3.564691|5.616468|4.961898|5.650584|8.885476|17.736743|8.949514|5.634917|47.901245|8.197722|13.135347|7.694333|4.104005|3.264969|3.719115|9.862522|4.751303|3.940442|3.035116|2.879335|3.156608|4.219104|0.064082|0.056761|0.066022|0.057369|0.049507|0.048685|0.055005|0.066311|0.091266|0.124047|0.500000| |3.363115|3.868559|0.113320|3.135799|2.855364|2.417326|2.241156|2.368423|2.773218|6.632343|7.176339|13.174780|8.901826|5.632973|4.899196|5.617139|8.879585|17.791030|46.929570|13.311212|8.161508|7.065754|5.092300|4.092607|4.006926|4.914691|3.057322|2.505040|2.180158|2.135229|2.447957|2.935233|0.085760|0.081186|0.102247|0.082797|0.062389|0.055774|0.060455|0.078258|0.124640|0.124304|0.124031|0.500000| |1.949188|2.059922|0.057549|1.842015|1.718581|1.562945|1.512922|1.594677|1.759854|3.246063|2.803190|4.934192|3.407532|3.236650|3.687092|4.908248|5.565058|4.286334|61.846675|10.746167|14.041196|25.907740|9.014086|6.952760|6.842418|4.356616|2.575303|2.337516|1.974066|1.876979|1.994126|2.371040|0.052920|0.049272|0.057742|0.048432|0.041224|0.039163|0.042579|0.050593|0.065424|0.076706|0.147907|0.114538|0.500000| |2.494447|2.603508|0.074440|2.205865|2.034950|1.792811|1.701289|1.796582|2.039147|4.097809|3.822151|7.335838|4.414011|3.684314|3.675936|4.442615|5.953962|5.937999|49.062034|12.395951|8.290132|12.594195|17.605609|8.904735|8.931034|4.077795|2.496202|2.190972|1.895160|1.804005|1.963490|2.297449|0.065817|0.062331|0.077102|0.058358|0.046979|0.043337|0.047120|0.058544|0.078304|0.086940|0.112012|0.184509|0.179782|0.500000| |1.783468|1.847906|0.052667|1.645522|1.558590|1.416747|1.356683|1.412285|1.551871|2.794938|2.396006|4.443737|2.681517|2.454839|2.587726|3.095116|3.588624|3.253022|34.480996|8.535721|7.481800|9.376847|8.800871|17.519076|6.817121|3.118883|1.957264|1.802364|1.580847|1.514092|1.602697|1.834707|0.047769|0.045933|0.053466|0.044569|0.037751|0.035228|0.037547|0.044181|0.055095|0.060465|0.087067|0.095053|0.202486|0.173706|0.500000| |1.953350|2.002354|0.057771|1.751200|1.657273|1.489499|1.413745|1.469972|1.629748|2.991800|2.605577|5.020847|2.813518|2.489901|2.517459|2.917168|3.480804|3.401386|30.651936|8.298440|6.240548|7.576861|8.818985|17.550851|6.861888|2.990318|1.903286|1.734886|1.537121|1.472971|1.572015|1.784999|0.051666|0.050412|0.059557|0.047821|0.039662|0.036510|0.038811|0.046301|0.057794|0.061734|0.078582|0.104203|0.141192|0.212836|0.301478|0.500000| |1.961164|2.069868|0.060041|1.825514|1.741440|1.566990|1.481045|1.531055|1.691645|3.135585|2.740988|5.172603|3.046254|2.671700|2.746170|3.313513|4.120104|3.870846|41.996397|12.669988|8.265850|9.442814|8.804911|17.607372|5.481154|3.209964|2.022538|1.821013|1.604639|1.557121|1.677848|1.929676|0.051696|0.050438|0.058925|0.050406|0.041844|0.038252|0.040287|0.047690|0.061402|0.065006|0.089969|0.120262|0.174156|0.213912|0.300303|0.300795|0.500000| |1.922293|1.946330|0.054104|1.719218|1.589911|1.442833|1.402092|1.487822|1.649765|2.992241|2.568842|4.681629|2.936936|2.790807|2.994482|3.508117|3.816254|3.413081|31.265976|6.792311|6.795622|9.590973|8.793323|6.783372|17.528667|3.664031|2.249759|2.097319|1.804105|1.677351|1.752446|2.017133|0.052521|0.048848|0.058112|0.044737|0.037967|0.036296|0.039902|0.047944|0.058857|0.068983|0.098765|0.093690|0.199382|0.173874|0.201308|0.167996|0.139293|0.500000| |2.305476|2.317650|0.063711|2.001743|1.814645|1.625587|1.581583|1.700239|1.919010|3.649345|3.225517|5.860101|3.774599|3.554664|3.742438|4.307961|4.732267|4.350235|33.843044|7.193208|6.890743|9.746350|8.812955|5.480684|17.585051|4.419889|2.657413|2.418237|2.051388|1.884029|1.990834|2.320049|0.063232|0.057469|0.070772|0.050799|0.042309|0.040559|0.045458|0.056463|0.070887|0.086525|0.114353|0.115786|0.169823|0.215274|0.139555|0.140691|0.123020|0.300946|0.500000| |2.130620|2.121154|0.059500|1.834644|1.690792|1.516367|1.461423|1.550599|1.737711|3.222616|2.817918|5.347173|3.094541|2.823948|2.868150|3.236174|3.669845|3.568321|28.304916|6.683555|5.823238|7.674501|8.823999|6.882038|17.558734|3.438224|2.156481|1.981879|1.731197|1.615085|1.705471|1.942953|0.057548|0.054138|0.065868|0.047930|0.039836|0.037608|0.041287|0.050466|0.061907|0.070426|0.086420|0.102109|0.140117|0.212716|0.169666|0.206224|0.140792|0.301568|0.300351|0.500000| |2.330527|2.531262|0.065565|2.391739|2.133008|1.984320|2.027952|2.247464|2.467892|4.259615|3.294879|5.024112|4.311423|5.812445|9.542288|7.672880|4.936062|4.079811|26.876275|5.424564|7.049468|4.726548|2.885005|2.399898|2.811222|25.993428|9.264518|7.399047|4.725614|4.232652|4.514632|6.668939|0.067142|0.057305|0.065123|0.056724|0.050699|0.052408|0.062007|0.073965|0.094957|0.144960|0.231778|0.092481|0.092804|0.080491|0.064553|0.060450|0.065566|0.075366|0.087932|0.068652|0.500000| |3.053869|3.287800|0.079853|3.183802|2.673486|2.480553|2.637129|3.126842|3.536720|5.659073|3.917001|5.671372|4.637005|6.909378|6.943778|4.635373|3.735340|3.712596|20.012617|4.429507|4.836653|3.571476|2.381813|2.016075|2.360597|12.567923|17.553232|8.980774|6.901417|5.728914|6.861403|8.873279|0.093124|0.073195|0.082101|0.068160|0.061201|0.066855|0.088347|0.113994|0.132570|0.247637|0.114888|0.086270|0.068059|0.069449|0.053150|0.052642|0.055154|0.061559|0.074050|0.060399|0.181939|0.500000| |2.266467|2.344829|0.059184|2.269577|1.993514|1.889793|1.996814|2.276189|2.461801|3.770534|2.749508|4.271360|3.210651|4.156730|4.861059|3.867034|3.077758|2.867060|17.904355|3.878434|4.504590|3.358194|2.219397|1.895945|2.278068|9.844277|8.869635|17.558556|8.788547|5.477549|4.838292|5.509492|0.068090|0.056216|0.062431|0.051938|0.047912|0.052118|0.065226|0.076503|0.083061|0.123397|0.107069|0.068732|0.066341|0.062338|0.051258|0.049382|0.051093|0.061423|0.071556|0.057900|0.187909|0.217542|0.500000| |2.065009|2.197292|0.056266|2.165844|1.944822|1.866251|1.967165|2.198747|2.327987|3.521155|2.566630|3.986140|3.032398|3.852581|4.733644|3.942899|3.079345|2.788121|18.275096|3.939803|4.787459|3.316221|2.139255|1.854942|2.136775|9.760118|8.866622|17.475196|8.851333|6.773508|5.670610|6.823625|0.060813|0.051725|0.056485|0.050861|0.047749|0.051824|0.062797|0.070278|0.079006|0.109552|0.114316|0.066975|0.066397|0.059638|0.050459|0.047827|0.050679|0.058153|0.065617|0.053947|0.222353|0.175110|0.302858|0.500000| |2.372431|2.456375|0.060742|2.503692|2.186207|2.128537|2.342693|2.751518|2.876114|3.820458|2.607370|4.028284|2.846154|3.556573|3.663419|2.942290|2.505168|2.464968|14.739319|3.333367|3.667749|2.700634|1.832867|1.605288|1.849547|6.288226|6.766934|8.855195|17.497664|8.851506|6.776094|5.656776|0.073015|0.059512|0.063019|0.055469|0.053357|0.061743|0.082527|0.090872|0.086217|0.114059|0.078664|0.060583|0.052947|0.052390|0.043076|0.042387|0.043839|0.049418|0.056802|0.048131|0.115712|0.203470|0.214508|0.173765|0.500000| |1.972093|2.047689|0.051842|2.075899|1.863484|1.827670|1.982402|2.247031|2.312347|3.151752|2.212847|3.485016|2.449640|2.979833|3.240852|2.738388|2.313001|2.209229|14.049242|3.150470|3.586683|2.590651|1.739031|1.537228|1.759192|5.665990|5.489774|8.839121|17.542962|8.809219|5.491365|4.845708|0.059324|0.050124|0.053070|0.048030|0.046650|0.053014|0.066538|0.070616|0.070216|0.089931|0.076240|0.054688|0.051679|0.048915|0.041751|0.040398|0.041957|0.047766|0.053578|0.045547|0.113584|0.141189|0.211571|0.215200|0.303742|0.500000| |2.059542|2.198231|0.055395|2.335585|2.122583|2.143955|2.397696|2.724389|2.678120|3.329796|2.249386|3.508084|2.422837|2.890650|2.989114|2.529969|2.200528|2.156986|13.338314|3.066060|3.393731|2.385147|1.609629|1.441211|1.589745|4.851605|4.821007|5.483343|8.817703|17.537856|8.812601|5.487326|0.061722|0.052813|0.054017|0.053728|0.054530|0.065146|0.082967|0.080064|0.076350|0.088772|0.068825|0.053925|0.047176|0.045870|0.038826|0.037975|0.039924|0.042756|0.047728|0.041461|0.094904|0.128192|0.123008|0.139151|0.215151|0.211347|0.500000| |1.960673|2.118352|0.054141|2.199432|2.014987|2.004984|2.176333|2.418127|2.433192|3.278460|2.279731|3.549861|2.545975|3.075332|3.375044|2.890294|2.439522|2.315610|14.834756|3.349117|3.866521|2.627307|1.736064|1.549542|1.703332|5.731774|5.629355|6.758529|8.851514|17.499082|8.856877|6.780743|0.057774|0.049994|0.052201|0.051853|0.051465|0.058651|0.071010|0.071885|0.075186|0.090773|0.080775|0.057266|0.052390|0.049020|0.041966|0.040402|0.043006|0.046117|0.051091|0.043893|0.118283|0.132101|0.138903|0.198987|0.173771|0.214872|0.303403|0.500000| |2.758175|3.060389|0.074598|3.312261|2.879352|2.847364|3.223528|3.882502|3.957705|4.831852|3.102052|4.622938|3.329283|4.152546|3.995857|3.159472|2.752377|2.793746|15.829907|3.659546|3.917610|2.765798|1.869173|1.648577|1.819856|6.219775|6.769385|5.660959|6.780934|8.850833|17.489278|8.842733|0.083566|0.068820|0.070766|0.070979|0.069893|0.083881|0.116833|0.121684|0.117797|0.137223|0.081578|0.068533|0.053494|0.054385|0.043692|0.043401|0.045892|0.047990|0.055077|0.047396|0.111517|0.202433|0.126761|0.131244|0.199175|0.139206|0.214892|0.173791|0.500000| |2.340784|2.641971|0.066727|2.868473|2.628630|2.654814|2.944192|3.302617|3.248179|4.109057|2.725421|4.136959|2.972703|3.563045|3.621881|3.030904|2.644006|2.614919|15.647401|3.624970|3.983390|2.682935|1.788452|1.598787|1.717055|5.575971|5.481223|4.836674|5.490699|8.808286|17.543449|8.829176|0.068598|0.059444|0.060745|0.066082|0.067039|0.078736|0.096772|0.093681|0.099018|0.108190|0.080551|0.064749|0.052463|0.051564|0.042640|0.041813|0.044939|0.045692|0.051243|0.044520|0.107177|0.140426|0.106597|0.126914|0.139183|0.123139|0.211281|0.214843|0.303715|0.500000| |2.297109|2.586080|0.066429|2.614613|2.372831|2.284082|2.396400|2.649623|2.787407|4.242049|3.019571|4.541853|3.619788|4.620986|5.501872|4.502090|3.563567|3.278493|20.432319|4.498037|5.373993|3.434756|2.194987|1.920266|2.090625|9.510054|8.876759|6.846527|5.696391|6.798155|8.835606|17.492277|0.066327|0.057316|0.061685|0.061699|0.058229|0.062691|0.074227|0.081608|0.100452|0.128907|0.123638|0.077902|0.067437|0.062525|0.051415|0.049239|0.053836|0.055867|0.062990|0.052897|0.196851|0.174295|0.140500|0.202729|0.131503|0.127563|0.139397|0.200169|0.173469|0.214025|0.500000| 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