Version2.1 2020-12-14T09:51:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1)c(c3c(n2)CCCC3)C(=O)O[C@H](C)C(=O)Nc4cccc(c4)S(=O)(=O)N C16903920 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1)c(c3c(n2)CCCC3)C(=O)O[C@H](C)C(=O)Nc4cccc(c4)S(=O)(=O)N C01[X(C24H25N3O5S1)] 168 C1 549 O=C([C@H](OC(=O)c1c2CCCCc2nc2c1cc(C)cc2)C)Nc1cccc(c1)S(=O)(=O)N O=C([C@H](OC(=O)c1c2CCCCc2nc2c1cc(C)cc2)C)Nc1cccc(c1)S(=O)(=O)N C[C@@H](OC(=O)c1c2CCCCc2nc3ccc(C)cc13)C(=O)Nc4cccc(c4)[S](N)(=O)=O InChIKey=YRZNELKXQUVILS-OAHLLOKOSA-N InChI=1S/C24H25N3O5S/c1-14-10-11-21-19(12-14)22(18-8-3-4-9-20(18)27-21)24(29)32-15(2)23(28)26-16-6-5-7-17(13-16)33(25,30)31/h5-7,10-13,15H,3-4,8-9H2,1-2H3,(H,26,28)(H2,25,30,31)/t15-/m1/s1 InChI=1/C24H25N3O5S/c1-14-10-11-21-19(12-14)22(18-8-3-4-9-20(18)27-21)24(29)32-15(2)23(28)26-16-6-5-7-17(13-16)33(25,30)31/h5-7,10-13,15H,3-4,8-9H2,1-2H3,(H,26,28)(H2,25,30,31)/t15-/m1/s1/f/h26H,25H2 Cc1ccc2c(c1)c(c3c(n2)CCCC3)C(=O)O[C@H](C)C(=O)Nc4cccc(c4)S(=O)(=O)N C01[X(C24H25N3O5S1)] 168 C01 549 O=C([C@H](OC(=O)c1c2CCCCc2nc2c1cc(C)cc2)C)Nc1cccc(c1)S(=O)(=O)N O=C([C@H](OC(=O)[C]1=[C]2[C]([N][C]3[C]1[CH]=[C]([CH]=[CH]3)C)CCCC2)C)N[C]1[CH][CH][CH][C]([CH]1)S(=O)(=O)N C[C@@H](OC(=O)C1=C2CCCC[C]2[N][C]3C=CC(=C[C]13)C)C(=O)N[C]4[CH][CH][CH][C]([CH]4)[S](N)(=O)=O InChIKey=YRZNELKXQUVILS-OAHLLOKOSA-N InChI=1S/C24H25N3O5S/c1-14-10-11-21-19(12-14)22(18-8-3-4-9-20(18)27-21)24(29)32-15(2)23(28)26-16-6-5-7-17(13-16)33(25,30)31/h5-7,10-13,15H,3-4,8-9H2,1-2H3,(H,26,28)(H2,25,30,31)/t15-/m1/s1 InChI=1/C24H25N3O5S/c1-14-10-11-21-19(12-14)22(18-8-3-4-9-20(18)27-21)24(29)32-15(2)23(28)26-16-6-5-7-17(13-16)33(25,30)31/h5-7,10-13,15H,3-4,8-9H2,1-2H3,(H,26,28)(H2,25,30,31)/t15-/m1/s1/f/h26H,25H2 3396.6946897616 -1858.5594633 1-A 25740.6439 123 426 549 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1543.1777 1554.7342 1564.7790 1566.9448 1572.5625 1578.9647 1604.5294 1621.6209 1629.0876 1630.1034 1634.5069 1641.1413 1641.4006 1643.6053 1654.8011 1659.8242 1672.3113 1734.6865 1767.6416 1778.2156 1796.0723 1803.7332 1806.1407 1842.4518 1985.9720 1996.3792 3193.8567 3195.4866 3200.1504 3200.2204 3215.6456 3222.4348 3242.1346 3245.4920 3250.2388 3259.0732 3271.2969 3284.0361 3290.7866 3299.3463 3316.4745 3356.6494 3382.1889 3393.7427 3397.5217 3404.3328 3414.7012 3467.4377 3761.8160 3872.9077 3876.8265 6.9303 5.7813 5.5981 5.7023 7.5985 6.0042 3.8968 4.7969 4.1918 5.0948 2.8160 1.1169 3.1103 3.5961 1.9537 2.4349 4.4893 4.4592 4.4928 5.9002 3.6596 3.6250 1.0975 5.1387 4.0580 3.4886 3.9639 4.3676 4.4052 3.9664 7.5642 5.3433 3.4981 3.5086 3.6234 4.8337 3.9105 3.9347 3.8032 4.8481 3.8419 3.3598 4.2098 5.4071 1.1824 3.3870 3.3789 3.4238 4.7833 5.1076 6.3136 6.0657 2.5630 3.2345 4.0631 4.0579 2.4971 6.6480 5.4629 5.0574 3.9854 4.7239 3.3033 1.3864 3.6383 1.8615 1.6994 4.3324 3.1602 2.3802 4.1524 2.7305 1.5046 1.7248 1.5035 2.5526 2.7639 1.3746 2.5257 6.0841 2.5273 1.3154 2.4124 1.3349 1.7767 2.6120 1.5314 2.2837 3.1872 1.8884 1.5459 2.1522 1.9160 2.5397 3.1760 2.4385 1.1859 3.6906 1.6643 2.2089 1.6597 1.7012 1.8330 3.1966 1.2753 2.4786 1.3687 1.9200 2.5437 1.4068 4.2589 7.4744 1.5161 1.6109 1.8943 1.6180 1.7682 2.0001 1.4444 1.4165 1.3830 2.5366 2.3426 3.3642 1.1061 1.0451 1.0911 1.0573 1.0889 1.0771 1.3008 1.1097 2.3622 2.7807 2.0468 1.1082 7.7543 3.9889 10.7933 5.1738 5.8461 9.8708 11.4857 1.0702 1.0740 1.0610 1.0400 1.0647 1.0364 1.1002 1.0959 1.1022 1.1026 1.0946 1.1015 1.0986 1.0940 1.1020 1.0903 1.0912 1.0924 1.0958 1.0916 1.0952 1.0938 1.0477 1.0783 1.1006 0.0001 0.0003 0.0005 0.0012 0.0057 0.0062 0.0073 0.0123 0.0144 0.0214 0.0149 0.0090 0.0288 0.0363 0.0231 0.0300 0.0738 0.0850 0.1218 0.1622 0.1119 0.1152 0.0437 0.2424 0.2162 0.2024 0.2368 0.2712 0.3168 0.3027 0.6456 0.4811 0.3157 0.3209 0.3896 0.5474 0.5226 0.5416 0.5384 0.7410 0.6236 0.5536 0.7085 0.9636 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3.8697 8.7869 4.2309 0.1549 0.7186 4.6870 3.4364 0.9273 2.5819 3.3790 0.5242 0.1997 13.5968 15.0502 2.4987 0.9205 1.2603 4.7138 0.3363 8.2546 6.7792 1.1799 10.7872 14.3137 1.3354 21.6965 58.8965 4.5506 180.5477 2.8069 9.7032 2.2194 24.9049 22.8045 111.2534 27.1201 36.5563 7.7931 115.3691 57.4152 1.1090 5.5891 2.2812 6.1161 9.1128 44.0008 12.7339 4.3384 36.9799 50.6009 8.7459 30.4230 108.1455 66.1070 3.8770 26.2324 17.3894 21.3796 18.2327 4.0590 1.6649 1.5363 6.4149 0.6726 10.5541 1.0804 4.3048 34.4232 2.5057 20.9853 9.4797 2.1479 0.9749 9.1712 38.9189 1.1838 83.5253 195.2987 10.3265 172.9038 7.6252 84.9898 135.6989 13.5417 2.3150 416.8376 19.1085 246.7329 5.2023 274.2070 69.6496 53.9475 47.0674 215.9364 53.7581 9.7563 36.9142 5.4478 13.0298 20.8909 9.2043 9.0548 1.1777 8.1141 40.4869 38.7101 3.7024 4.4981 18.6140 5.9284 1.0943 4.1121 11.1305 4.3246 171.9343 46.9157 465.6075 56.1875 13.0204 23.3555 54.2508 113.0551 2.4799 407.7686 99.3820 19.3209 12.5519 47.8808 45.1389 31.2329 15.2230 57.9289 87.5408 30.4932 28.9450 26.4409 23.7826 8.0933 39.6674 13.1684 21.4250 11.5963 4.0689 14.9320 6.3546 1.8184 4.3389 81.9087 32.6586 72.0316 1.3959 1.4825 1.0372 0.6338 2.3643 2.2503 2.1335 2.1962 0.3635 1.6756 1.5616 0.0452 1.1401 3.5056 1.5385 2.2709 1.5665 0.5433 0.2482 1.5969 1.9444 0.7825 0.2403 3.0558 0.7237 1.4578 1.1391 0.7299 2.7526 0.9609 1.9847 2.3021 2.6127 7.8009 0.6541 3.5341 4.0379 1.2375 1.3892 1.2058 0.9521 1.1449 3.1982 1.8242 1.0490 2.3357 2.5231 0.3306 2.2074 3.4876 1.2585 3.3696 2.2709 7.2839 3.4758 1.7286 1.1110 7.9209 2.0547 2.3629 1.7470 8.1791 2.2118 1.8018 2.4246 0.9685 3.0210 8.9411 17.8394 11.4049 7.4722 1.5350 1.4402 1.0204 0.9203 3.6994 2.8485 0.5769 3.9056 44.0864 6.0984 0.0709 4.6717 0.7738 16.5299 20.9881 1.0642 1.3608 32.3576 5.9865 2.8576 2.6192 1.9608 1.2853 5.0427 9.6093 0.3747 7.8230 1.4566 3.8983 2.3061 1.9591 3.5664 9.5787 6.9027 36.1375 18.0768 12.8039 12.9612 2.6400 196.1581 2.7662 26.5830 30.3163 3.1207 5.6766 93.5218 86.5727 24.7475 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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 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 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 6904.7769 41826.2822 46314.7182 1.00000 0.00134 0.00244 -0.00132 0.99996 -0.00881 -0.00246 0.00881 0.99996 1 0.01254 0.00207 0.00187 0.26138 0.04315 0.03897 7.19 13.24 17.92 27.16 51.16 60.30 80.91 94.98 110.04 121.35 136.35 167.81 180.39 188.45 204.00 208.15 240.26 258.81 308.57 310.82 327.74 334.08 374.13 407.12 432.69 451.54 458.11 467.04 502.68 517.79 547.62 562.44 563.10 566.86 614.66 630.81 685.24 695.43 705.27 732.79 755.19 760.86 768.98 791.30 808.75 852.82 880.05 899.59 919.34 950.86 969.03 1028.17 1053.69 1068.54 1087.31 1090.92 1095.69 1133.28 1149.12 1190.62 1235.03 1253.79 1269.23 1301.05 1305.57 1327.00 1346.82 1352.61 1376.54 1394.74 1418.81 1435.70 1444.06 1448.69 1464.68 1490.37 1511.61 1519.89 1538.45 1562.69 1583.73 1602.77 1624.64 1629.30 1660.52 1677.47 1692.34 1723.15 1733.13 1747.68 1749.21 1751.49 1758.26 1769.04 1776.25 1802.42 1821.87 1826.33 1856.72 1874.89 1891.87 1895.47 1911.86 1984.38 2006.04 2015.69 2032.14 2061.19 2091.85 2100.72 2112.68 2131.61 2147.58 2154.88 2163.06 2181.63 2197.72 2220.29 2236.92 2251.37 2254.48 2262.57 2271.78 2308.56 2333.15 2343.89 2345.36 2351.69 2361.24 2361.61 2364.78 2380.89 2388.12 2406.08 2495.83 2543.24 2558.46 2584.15 2595.17 2598.63 2650.88 2857.37 2872.34 4595.25 4597.59 4604.30 4604.40 4626.60 4636.36 4664.71 4669.54 4676.37 4689.08 4706.67 4725.00 4734.71 4747.02 4771.67 4829.47 4866.22 4882.84 4888.28 4898.08 4912.99 4988.87 5412.41 5572.25 5577.89 0.497879 0.526717 0.527661 0.431622 -1858.061585 -1858.032746 -1858.031802 -1858.127841 3.221164D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE Cc1ccc2c(c1)c(c3c(n2)CCCC3)C(=O)O[C@H](C)C(=O)Nc4cccc(c4)S(=O)(=O)N C16903920 RHF 6-31G(d) (6D,10F) C1 467.151493 |X|Y|Z| 146.715549 58.272053 28.627867 62.552089 25 6 7 8 22 2 1 |36.858105| |12.622169|36.858105| |7.526178|13.376434|36.858105| |5.034651|7.873456|14.071176|36.858105| |4.411613|6.780870|7.911283|13.412450|36.858105| |4.980559|7.847826|6.825667|7.826132|13.593261|36.858105| |7.598570|14.012596|7.941959|6.844944|7.827944|13.371710|36.858105| |3.786548|5.073640|4.522184|5.134557|7.934243|13.376089|7.547518|36.858105| |3.055064|3.925066|3.806200|4.570542|6.932531|7.849253|5.070070|13.937932|36.858105| |2.953244|3.840716|4.057503|5.336945|8.321388|6.921880|4.564794|7.971586|13.301901|36.858105| |3.362534|4.582391|5.268236|8.017364|14.125502|7.897547|5.163510|6.892632|7.952348|14.724314|53.358707| |2.406396|2.970085|3.177272|4.009780|5.219101|4.465323|3.351059|5.021036|7.413384|12.564971|10.879104|36.858105| |2.136194|2.556812|2.636224|3.143283|3.946530|3.717648|2.915679|4.461453|6.547875|7.473104|7.007226|12.483138|36.858105| |2.174747|2.584206|2.571909|2.977777|3.784193|3.844912|3.033873|4.990390|7.470247|6.595465|6.215831|7.635217|12.492232|36.858105| |2.518345|3.044926|2.925753|3.348993|4.462438|4.955406|3.766555|7.518056|12.509813|7.431533|6.882372|6.375207|7.599319|12.463289|36.858105| |3.607835|4.409407|3.694748|3.847573|5.040805|7.565937|6.433312|12.681420|7.645555|5.029416|6.078199|3.764213|3.652122|4.306788|6.466041|36.858105| |3.718419|4.329798|3.516973|3.514783|4.330942|6.212696|6.137501|7.978877|5.543427|4.079818|5.145638|3.200164|3.091768|3.643006|4.958320|16.028061|73.516695| |3.104583|3.643909|3.154321|3.291685|4.152818|5.531623|4.868840|8.127552|6.486619|4.457121|5.277687|3.543953|3.643209|4.270383|6.470337|14.365240|15.279093|73.516695| |2.776311|3.077291|2.656423|2.695029|3.212307|4.054290|3.886546|5.182239|4.449657|3.367526|4.104303|2.846904|2.984363|3.491315|4.743940|8.077353|12.659886|23.952795|36.858105| |2.735731|2.993965|2.570008|2.588130|3.059142|3.859199|3.765060|4.866449|4.169461|3.182608|3.898045|2.710611|2.822710|3.372038|4.465868|7.760287|14.659770|16.624751|17.642434|0.500000| |2.934026|3.126417|2.645848|2.598811|2.977529|3.715015|3.832031|4.279590|3.598984|2.904879|3.703548|2.467738|2.523100|2.805937|3.591717|5.940967|10.006047|14.079373|12.495238|0.245749|36.858105| |2.301191|2.535837|2.276149|2.350649|2.771805|3.287102|3.063828|4.131937|3.950768|3.094096|3.697324|2.754631|3.033265|3.563683|4.622118|5.388617|8.410505|14.355479|12.462203|0.244804|7.596287|36.858105| |2.212788|2.464533|2.258632|2.368277|2.800793|3.230414|2.939595|4.037079|4.048943|3.231032|3.818328|2.927950|3.304226|3.773165|4.822088|4.805183|7.177173|12.628686|7.976841|0.164531|6.008570|15.954759|73.516695| |2.057000|2.218905|2.001512|2.049926|2.366699|2.752385|2.618699|3.338144|3.226837|2.617956|3.167491|2.392010|2.637806|3.110637|3.776818|4.228749|7.165834|9.637207|7.895858|0.209820|5.868937|13.985819|14.941816|53.358707| |1.789352|1.915754|1.759014|1.808099|2.057973|2.323036|2.206970|2.746476|2.736571|2.301737|2.796287|2.169243|2.427752|2.813523|3.220796|3.267238|5.552997|7.065930|5.030799|0.135093|4.231256|7.627872|11.573911|18.402311|36.858105| |1.685748|1.815478|1.692623|1.756839|1.996140|2.208390|2.070832|2.594959|2.656982|2.278098|2.755101|2.192449|2.503230|2.839661|3.158611|2.956633|4.892281|6.398899|4.201266|0.108064|3.637871|6.273144|11.698512|10.498039|13.703012|36.858105| |1.501744|1.603846|1.509089|1.563993|1.753016|1.907923|1.800109|2.194300|2.259168|1.988954|2.430428|1.948070|2.217313|2.468676|2.641530|2.439753|4.098456|5.074729|3.227491|0.085278|2.907619|4.311620|7.988105|6.972462|7.934530|13.736248|36.858105| |1.418513|1.499812|1.407758|1.448515|1.609685|1.752270|1.672712|1.992668|2.029485|1.797317|2.217377|1.757233|1.970673|2.198656|2.336914|2.225578|3.825699|4.513093|2.898280|0.079091|2.651735|3.663035|6.414202|6.168067|6.811706|7.887713|13.791320|36.858105| |1.480641|1.557158|1.447235|1.478879|1.644076|1.810970|1.744901|2.062793|2.068095|1.811711|2.241974|1.747686|1.936149|2.189962|2.366519|2.354574|4.125983|4.742991|3.143427|0.088307|2.866517|3.902215|6.422676|7.088527|7.947097|6.906275|8.029738|13.753188|36.858105| |1.654684|1.746760|1.604907|1.636629|1.836956|2.058918|1.985725|2.381041|2.355950|2.018732|2.485391|1.914485|2.113857|2.432269|2.711466|2.804516|4.935453|5.756597|4.012359|0.114341|3.551716|5.158858|7.900142|10.875678|13.696944|7.934251|6.904489|7.891481|13.800522|36.858105| |1.355839|1.409335|1.311980|1.331576|1.462228|1.600535|1.560250|1.790236|1.782946|1.584800|1.985409|1.532552|1.672576|1.874421|1.997630|2.023628|3.618091|3.948590|2.570116|0.073821|2.405510|2.971123|4.877843|5.088436|4.738848|4.206531|4.751575|6.967843|10.760337|7.005017|388.023441| |1.411438|1.460968|1.350867|1.364314|1.497901|1.651792|1.621553|1.846303|1.819449|1.608078|2.019886|1.541836|1.666886|1.885427|2.025376|2.112639|3.852059|4.060621|2.669436|0.078981|2.488134|2.983038|4.751848|5.160934|4.457749|3.708581|3.847297|4.949113|7.353248|6.590127|94.632493|73.516695| |1.250542|1.303194|1.224654|1.249119|1.367702|1.479818|1.433591|1.648393|1.662357|1.495481|1.872725|1.465564|1.607678|1.789572|1.867395|1.828476|3.248557|3.535911|2.238105|0.063828|2.085370|2.573085|4.339095|4.224235|3.854171|3.690415|4.390388|6.381570|7.334918|5.024056|94.744001|13.558610|73.516695| |1.310428|1.349205|1.254735|1.264731|1.376197|1.503341|1.481323|1.658699|1.636659|1.466358|1.856606|1.412130|1.525143|1.680234|1.799178|1.867263|3.336397|3.648155|2.374582|0.067170|2.312496|2.699578|4.484035|4.469369|4.002077|3.668534|4.121527|5.585992|7.043167|5.336868|82.187336|13.622079|13.717181|53.358707| |17.538295|8.851014|6.728753|4.631542|3.966033|4.278939|5.911246|3.347044|2.781928|2.731848|4.237332|2.268809|2.008585|2.045107|2.322942|3.178828|5.924543|4.860346|2.475299|0.068792|2.572254|2.084186|3.557714|2.574061|1.660629|1.564918|1.405115|1.335420|1.395138|1.550131|9.163110|2.391855|2.121720|1.692965|0.500000| |17.584234|8.839795|5.538698|4.167183|3.937669|4.707617|7.260338|3.783124|3.004079|2.807523|4.200027|2.297899|2.081366|2.156288|2.527346|3.834290|7.282724|5.864011|3.021664|0.083539|3.269436|2.450813|4.120158|2.994055|1.894850|1.764250|1.565001|1.483771|1.561208|1.757550|10.176058|2.663660|2.329751|1.886048|0.301637|0.500000| |17.535240|8.849003|6.715510|4.622672|3.960976|4.277696|5.912800|3.352770|2.783466|2.729109|4.231132|2.263119|2.020410|2.028465|2.325992|3.191212|5.705656|5.075421|2.578684|0.069543|2.776558|2.177220|3.766465|2.649516|1.709309|1.623901|1.453282|1.370566|1.422740|1.580161|9.268694|2.397622|2.141439|1.726787|0.302352|0.301431|0.500000| |7.032025|8.813936|17.698357|9.035769|5.625440|4.925967|5.661173|3.601923|3.147485|3.375863|5.784477|2.777361|2.336321|2.264282|2.517895|3.069139|5.279867|4.784723|2.329880|0.062874|2.348930|2.028124|3.583821|2.459393|1.606059|1.550523|1.394977|1.307535|1.342021|1.477236|8.715951|2.241342|2.040560|1.603408|0.192397|0.140626|0.191908|0.500000| |4.090811|5.592914|8.958668|17.738858|8.893558|5.616344|4.939371|4.194249|4.008977|4.935636|10.099147|3.997620|3.079698|2.829526|3.056260|3.238770|5.287640|5.077670|2.382359|0.063626|2.294075|2.129850|3.850891|2.553288|1.677956|1.645320|1.478130|1.370067|1.390521|1.525059|8.935839|2.279768|2.109181|1.625877|0.108616|0.095712|0.108394|0.215299|0.500000| |7.045958|9.048603|5.644140|4.941054|5.600730|8.814299|17.761594|6.877209|4.617351|3.940376|5.681368|3.003375|2.716725|2.904945|3.656906|7.275895|13.664634|9.576487|4.460143|0.122174|4.518277|3.341591|5.527813|3.896918|2.368159|2.181757|1.883318|1.758534|1.855066|2.136009|11.795402|3.088202|2.683678|2.146038|0.153100|0.223518|0.152821|0.124396|0.107355|0.500000| |2.318973|2.832656|3.050098|3.814734|4.764996|4.072542|3.144742|4.442667|6.069763|9.008162|9.397648|17.507940|8.875844|6.742436|5.393560|3.435135|5.388046|5.610706|2.601028|0.070325|2.263179|2.501947|4.630745|3.023660|2.025927|2.029940|1.822396|1.664377|1.664181|1.815191|10.498503|2.655763|2.520038|1.846332|0.061754|0.061399|0.060159|0.074928|0.107364|0.078585|0.500000| |2.338258|2.868109|3.155033|4.028494|4.949176|4.050053|3.134346|4.271770|5.672043|8.996251|10.269511|17.587025|8.766590|5.527509|4.882362|3.282037|5.016902|5.591782|2.572375|0.067495|2.292006|2.502272|4.774722|2.968908|1.998956|2.038849|1.829034|1.650124|1.631009|1.771544|10.215588|2.556530|2.449887|1.817494|0.061276|0.061363|0.062020|0.077808|0.116456|0.077399|0.304433|0.500000| |1.923168|2.261539|2.348568|2.765210|3.324115|3.106389|2.522809|3.582816|4.820811|5.492364|5.742587|8.859474|17.549003|8.800641|5.510829|3.046655|4.733217|5.407592|2.586977|0.068771|2.222191|2.661956|5.124664|3.236037|2.236655|2.325406|2.103404|1.882540|1.836916|1.975829|11.388576|2.826870|2.766651|1.985826|0.050742|0.052009|0.050785|0.058818|0.076731|0.065695|0.219676|0.207084|0.500000| |2.115945|2.518986|2.583915|3.049141|3.785987|3.612102|2.868930|4.319574|6.059627|6.551203|6.501919|8.826612|17.509514|8.869125|7.024415|3.609356|5.344122|6.704673|3.086431|0.079032|2.633441|3.209807|6.455004|3.729384|2.534831|2.667061|2.348557|2.053535|1.994766|2.174266|12.118288|2.990242|2.907053|2.128450|0.054731|0.057408|0.056199|0.063778|0.082728|0.074632|0.173998|0.215688|0.303144|0.500000| |2.154948|2.552697|2.550985|2.948730|3.700081|3.724154|2.970745|4.675390|6.571157|6.114802|6.037261|7.053291|8.868776|17.508391|8.820434|4.046961|6.359647|6.772881|3.188299|0.088310|2.592936|3.168326|5.758359|3.877861|2.583019|2.559206|2.258588|2.053624|2.068573|2.288993|12.823222|3.259910|3.070645|2.193998|0.057010|0.059235|0.055365|0.062618|0.078194|0.078891|0.203715|0.141568|0.210104|0.173815|0.500000| |1.971737|2.292114|2.262713|2.560842|3.143321|3.237155|2.660595|4.098501|5.494272|4.843998|4.963989|5.524674|8.797616|17.549312|8.887755|3.804616|5.856432|7.013152|3.393802|0.091229|2.718751|3.649621|6.952721|4.442191|3.035222|3.124400|2.729069|2.407951|2.370272|2.610754|14.265901|3.554208|3.431221|2.419455|0.051615|0.054751|0.051439|0.056063|0.067930|0.072099|0.140250|0.123073|0.213677|0.210079|0.303076|0.500000| |2.429912|2.894600|2.763773|3.112452|4.028384|4.493884|3.548498|6.494417|8.928456|6.059618|6.049085|5.390448|6.714593|8.875912|17.556041|6.098828|8.165146|12.779680|5.256401|0.128876|3.935567|5.508411|11.102644|5.776314|3.609218|3.633541|2.960039|2.548669|2.546398|2.930632|14.944497|3.735857|3.477891|2.587331|0.061647|0.068147|0.063267|0.066619|0.079176|0.097092|0.123651|0.124026|0.139960|0.202562|0.174093|0.220568|0.500000| |2.499503|2.965309|2.777038|3.081803|3.987601|4.635137|3.701366|6.989516|8.871777|5.652932|5.790125|4.882215|5.536543|8.869902|17.551104|7.166111|10.273805|12.288320|5.327930|0.147885|3.814884|5.072647|8.718806|5.794315|3.527518|3.325807|2.754583|2.470612|2.555171|2.986149|15.330138|3.942969|3.551103|2.607969|0.064398|0.070867|0.063472|0.066738|0.077509|0.103552|0.124258|0.108390|0.123584|0.141614|0.218158|0.211183|0.304628|0.500000| |3.425995|3.585473|2.919800|2.793659|3.163036|4.057513|4.456893|4.462876|3.574665|2.916006|3.810030|2.433879|2.424082|2.673713|3.400778|6.255419|11.327596|12.634176|8.872448|0.214676|17.592565|5.525804|8.207053|6.237566|3.481233|3.035153|2.507533|2.327496|2.518126|3.050092|15.494408|4.055974|3.389215|2.860801|0.082079|0.109695|0.088834|0.071641|0.067496|0.155302|0.062544|0.062928|0.059375|0.069352|0.069812|0.070753|0.099748|0.100266|0.500000| |2.605400|2.705110|2.321751|2.271286|2.551716|3.085479|3.200852|3.481850|3.035038|2.513091|3.214892|2.190043|2.258831|2.510355|3.099859|4.595222|8.152157|10.119073|8.810699|0.210343|17.560547|6.905112|9.535167|8.471957|4.563358|3.781704|3.046349|2.832595|3.131251|3.942515|18.733750|4.872426|3.977586|3.499408|0.064553|0.080754|0.069020|0.058207|0.056460|0.103349|0.056401|0.056787|0.056145|0.065275|0.065037|0.068736|0.093630|0.092253|0.301013|0.500000| |2.884626|3.097245|2.665710|2.635065|3.005156|3.667227|3.727746|4.147542|3.564943|2.934720|3.760866|2.503297|2.562340|2.775491|3.521517|5.275268|8.335943|12.833930|8.865252|0.173842|17.592903|6.948331|11.314864|7.012462|3.966904|3.611863|2.898513|2.590286|2.721340|3.277095|16.142805|4.084519|3.542678|3.005711|0.069670|0.087550|0.077522|0.065914|0.064948|0.117373|0.062913|0.065468|0.062557|0.075816|0.070166|0.074678|0.110381|0.099697|0.299729|0.300090|0.500000| |2.099918|2.241901|2.001140|2.028823|2.327933|2.732860|2.648075|3.278178|3.096014|2.516500|3.077902|2.281102|2.470076|2.922596|3.534033|4.259273|7.632156|9.152481|7.733632|0.243998|5.890726|9.454676|10.878958|26.064235|9.353513|5.747563|4.294135|4.076450|4.944746|7.693527|26.985756|7.244668|5.494277|4.512174|0.053861|0.063027|0.054785|0.050245|0.051372|0.081725|0.059588|0.057663|0.062095|0.070064|0.076155|0.083981|0.105775|0.113295|0.133084|0.181171|0.134424|0.500000| |1.759053|1.914663|1.793436|1.876687|2.149763|2.371073|2.193387|2.812023|2.918864|2.494312|2.989478|2.403060|2.780054|3.121817|3.507992|3.157399|5.073375|7.021676|4.435260|0.109129|3.802501|6.869275|15.185071|9.529030|8.919736|17.830157|8.921161|5.637094|4.978105|5.650787|24.203076|5.485777|5.463489|4.169764|0.045110|0.050845|0.047196|0.045444|0.048823|0.063648|0.060879|0.062191|0.071005|0.084139|0.076271|0.095580|0.116663|0.099794|0.087394|0.105771|0.108539|0.143354|0.500000| |1.436684|1.537342|1.459557|1.519494|1.696913|1.824265|1.713223|2.082390|2.167890|1.937947|2.371170|1.922956|2.202698|2.405013|2.524245|2.265974|3.775161|4.680011|2.884017|0.075469|2.630226|3.747507|7.247256|5.650097|5.655926|8.964129|17.728476|8.949348|5.685370|4.969292|27.861456|5.725669|6.806015|4.819480|0.037380|0.041320|0.038801|0.037593|0.040140|0.049326|0.049836|0.050567|0.058573|0.065432|0.060800|0.074183|0.078858|0.071656|0.063703|0.075372|0.074191|0.098232|0.216479|0.500000| |1.313829|1.384086|1.306790|1.344238|1.483004|1.599543|1.530084|1.799352|1.838378|1.650545|2.048111|1.627310|1.818924|2.004955|2.096506|1.981437|3.416837|3.957274|2.492130|0.068218|2.312680|3.043007|5.390723|4.914721|4.923619|5.618682|8.886094|17.759990|8.897577|5.629097|47.146986|8.078185|12.762156|7.619409|0.034502|0.038042|0.035366|0.033885|0.035503|0.044456|0.043019|0.042697|0.048747|0.052533|0.052359|0.060910|0.062935|0.061063|0.057256|0.068242|0.063137|0.092463|0.123935|0.214287|0.500000| |1.695995|1.776909|1.619570|1.639103|1.833347|2.070854|2.021447|2.380979|2.318020|1.981533|2.456768|1.861679|2.026032|2.339571|2.625784|2.847446|5.151944|5.714127|4.052040|0.121149|3.621402|4.816908|7.085270|9.984321|8.865015|5.634013|4.970373|5.639842|8.965264|17.738491|47.883148|13.763636|8.322618|7.082177|0.044260|0.050414|0.044762|0.041429|0.042267|0.061023|0.049381|0.047744|0.052526|0.057270|0.062034|0.068771|0.077273|0.081468|0.087978|0.113848|0.089983|0.234820|0.123934|0.107835|0.124271|0.500000| 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