Version2.0 2020-08-08T23:42:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 11-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)NC[C@@H](c3cccs3)[NH+](C)C C36685209 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)NC[C@@H](c3cccs3)[NH+](C)C C01[X(C21H28N3O3S1)] 162 C1 480 CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C CCOc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)NC[C@H]([NH+](C)C)c3sccc3 InChIKey=NEIRBJYRLOEHLZ-QAPCUYQASA-O InChI=1S/C21H27N3O3S/c1-4-27-17-9-7-16(8-10-17)24-14-15(12-20(24)25)21(26)22-13-18(23(2)3)19-6-5-11-28-19/h5-11,15,18H,4,12-14H2,1-3H3,(H,22,26)/p+1/t15-,18+/m1/s1 InChI=1/C21H27N3O3S/c1-4-27-17-9-7-16(8-10-17)24-14-15(12-20(24)25)21(26)22-13-18(23(2)3)19-6-5-11-28-19/h5-11,15,18H,4,12-14H2,1-3H3,(H,22,26)/p+1/t15-,18+/m1/s1/fC21H28N3O3S/h22-23H/q+1 CCOc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)NC[C@@H](c3cccs3)[NH+](C)C C01[X(C21H28N3O3S1)] 162 C01 480 CCOc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C CCO[C]1[CH][CH][C]([CH][CH]1)N1C[C@@H](CC1=O)C(=O)NC[C@@H](C1=[CH][CH]=CS1)[NH](C)C CCO[C]1[CH][CH][C]([CH][CH]1)N2C[C@@H](CC2=O)C(=O)NC[C@H]([NH](C)C)c3sccc3 InChIKey=HVGDJTLYOJWFTM-QAPCUYQASA-N InChI=1S/C21H28N3O3S/c1-4-27-17-9-7-16(8-10-17)24-14-15(12-20(24)25)21(26)22-13-18(23(2)3)19-6-5-11-28-19/h5-11,15,18,23H,4,12-14H2,1-3H3,(H,22,26)/t15-,18+/m1/s1 InChI=1/C21H28N3O3S/c1-4-27-17-9-7-16(8-10-17)24-14-15(12-20(24)25)21(26)22-13-18(23(2)3)19-6-5-11-28-19/h5-11,15,18,23H,4,12-14H2,1-3H3,(H,22,26)/t15-,18+/m1/s1/f/h22H 2709.8039051076 -1596.7844426 1-A 19977.0500 107 373 480 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.10505 -20.65188 -20.63404 -20.59355 -15.85855 -15.71629 -15.66512 -11.46979 -11.45761 -11.43923 -11.43715 -11.42088 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1.6539 1.4793 0.9240 1.4371 1.7131 1.6665 1.8765 0.9382 0.9289 0.9305 1.7564 1.8564 1.3864 1.7949 0.8947 1.5751 2.6283 1.5355 1.6755 2.0535 1.0418 3.3477 2.2361 1.7748 2.4375 1.5297 1.5095 1.2366 1.1782 1.9067 1.9743 1.3579 1.7233 2.0045 2.0741 2.9247 1.7016 3.8528 1.3382 2.4085 1.8472 2.5475 1.8635 1.6525 2.3620 2.2361 1.7357 1.9161 1.8205 3.4635 1.7439 2.1107 1.7794 4.1250 1.7202 1.9060 1.6565 1.6269 4.2337 1.9639 1.6694 1.6845 1.6851 1.7325 1.8542 1.9712 3.0473 3.8275 9.9561 12.2911 10.8947 20.6081 28.1676 6.3851 6.5361 6.3396 6.6410 6.8826 6.7275 6.5276 6.6630 6.5560 7.0161 7.0871 7.0820 7.0909 7.1099 7.2609 7.3971 7.4304 7.3082 7.4919 7.4258 7.5381 7.4590 7.4418 7.5413 7.5592 7.7346 8.6772 9.6310 0.1277 2.4911 0.9884 2.0426 3.4990 2.9298 0.3555 4.0780 4.1630 7.3091 5.0676 6.3414 2.2163 0.5432 1.2142 0.0258 0.9080 0.4440 4.3712 1.4581 0.2413 0.5576 0.6754 6.9828 9.5162 18.9012 17.2783 8.9326 21.9200 11.5034 23.7624 61.7519 15.0318 0.5122 1.4556 4.2079 1.2838 9.6119 9.2397 1.2785 9.7748 16.2143 8.9480 1.4389 3.8863 3.1060 13.9308 7.6414 17.5316 6.9884 2.3748 1.7691 75.2696 1.5849 6.0791 2.7303 23.5510 0.2903 11.7272 1.6912 66.6181 110.6667 2.8919 8.5321 12.9090 1.1784 1.7649 16.3717 0.5220 0.3504 0.1689 39.8206 0.5999 1.0712 24.3003 5.4835 4.3225 50.9628 15.7175 23.6353 2.4904 0.3987 43.4561 15.9688 10.4449 19.1157 14.5018 5.2100 4.5518 47.9439 28.7624 216.0880 44.6695 4.4919 16.5476 65.3842 86.2208 120.4345 402.1750 7.6913 25.5106 1.7802 71.1436 0.7316 16.5230 1.9077 18.2182 14.7089 23.5806 43.4921 70.9618 25.3638 25.2590 36.7998 101.6950 18.2016 3.3596 17.4023 4.2205 27.5693 30.8126 10.9357 3.6946 26.5256 54.4634 87.9990 112.7096 307.7643 261.7249 4.8846 8.7092 32.6602 192.8564 434.6196 29.8330 32.1815 27.7760 17.3673 35.4708 24.5094 3.8807 12.9349 7.7906 35.9234 45.6962 10.8685 11.1190 0.8418 9.7558 1.1399 3.0066 18.4409 3.3644 3.2198 0.5346 7.4914 12.7049 0.9373 3.5131 3.1422 44.1379 61.1381 0.7796 0.4680 4.3473 1.7362 1.0132 1.0735 0.5038 3.8630 0.3351 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38.0916 20.8213 51.0857 23.8530 82.2393 46.6707 38.8796 59.8637 31.5968 116.3528 51.7166 108.8042 83.3953 161.7854 22.3679 33.0593 0.7401 0.7500 0.7449 0.7248 0.7472 0.7238 0.7296 0.7468 0.7077 0.7495 0.7496 0.7455 0.6560 0.7319 0.3677 0.2477 0.4256 0.3776 0.6035 0.4964 0.2561 0.3987 0.6239 0.7211 0.6226 0.2310 0.5680 0.3177 0.6573 0.3694 0.6582 0.7498 0.4999 0.4089 0.5332 0.1143 0.1965 0.6275 0.6328 0.6873 0.3275 0.6332 0.2836 0.2933 0.5464 0.6259 0.0465 0.1420 0.4334 0.7500 0.7437 0.1286 0.7369 0.3873 0.0606 0.7251 0.2533 0.7204 0.2341 0.6439 0.5876 0.6855 0.7495 0.5003 0.7239 0.5217 0.2212 0.5538 0.7186 0.7498 0.5202 0.7497 0.2712 0.7313 0.7224 0.7016 0.6089 0.2630 0.7003 0.3573 0.7450 0.3117 0.1965 0.3643 0.2417 0.5437 0.5285 0.7496 0.7329 0.0978 0.6330 0.7094 0.7029 0.6839 0.5956 0.6008 0.5036 0.4465 0.1759 0.7466 0.1370 0.3737 0.1753 0.1701 0.7493 0.7162 0.6499 0.4166 0.7026 0.7499 0.7415 0.5999 0.7410 0.6836 0.2675 0.6847 0.4642 0.6067 0.7500 0.2575 0.4099 0.7500 0.7140 0.7497 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0.8347 0.7878 0.5882 0.8253 0.8571 0.8516 0.7499 0.8512 0.8121 0.4221 0.8129 0.6341 0.7552 0.8571 0.4096 0.5815 0.8571 0.8332 0.8570 0.7774 0.7727 0.7532 0.6198 0.7150 0.4609 0.8253 0.6134 0.3656 0.5678 0.4320 0.4306 0.0218 0.7604 0.8526 0.1297 0.3054 0.7290 0.0304 0.8484 0.8565 0.8088 0.6143 0.5361 0.4515 0.7998 0.8008 0.7161 0.8152 0.6562 0.8413 0.3178 0.7735 0.5429 0.2440 0.3616 0.3624 0.3174 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 8 6 6 6 6 6 6 7 6 6 1 6 6 8 6 8 7 6 6 1 6 6 6 6 16 7 1 6 6 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 14.00307 1.00783 12.00000 12.00000 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 5228.5107 32690.0921 34208.2149 1.00000 -0.00159 0.00175 0.00151 0.99897 0.04529 -0.00182 -0.04529 0.99897 1 0.01657 0.00265 0.00253 0.34517 0.05521 0.05276 8.42 14.45 18.18 29.16 54.98 58.69 71.75 82.12 105.13 134.85 138.28 156.60 162.30 177.17 245.63 260.71 278.75 296.31 328.16 352.50 367.82 391.25 400.94 414.30 462.40 511.42 528.95 537.93 546.48 602.58 621.87 629.17 644.96 668.22 694.69 724.65 729.87 779.97 828.49 846.05 879.92 894.84 929.92 960.39 996.68 1007.14 1021.42 1036.48 1067.00 1150.21 1154.86 1188.86 1197.98 1264.88 1287.84 1294.07 1314.26 1330.41 1331.98 1346.77 1363.91 1407.89 1444.36 1454.90 1460.12 1474.48 1491.68 1514.03 1537.34 1540.56 1559.54 1561.18 1599.67 1623.26 1631.35 1650.65 1679.90 1681.46 1697.08 1736.73 1737.82 1753.88 1789.02 1795.42 1817.85 1848.56 1850.86 1870.61 1874.51 1875.88 1887.25 1911.46 1936.63 1959.16 1976.75 1989.29 2019.78 2045.33 2051.53 2061.21 2081.68 2110.78 2125.37 2129.53 2161.82 2194.28 2211.89 2224.63 2245.96 2251.81 2269.51 2278.61 2282.33 2291.22 2309.75 2333.14 2333.45 2339.22 2343.52 2350.94 2356.72 2360.18 2366.12 2371.28 2402.11 2405.13 2413.35 2426.27 2449.76 2544.16 2561.41 2625.94 2795.32 2862.74 4610.78 4627.47 4631.84 4663.78 4669.14 4681.83 4702.02 4704.88 4712.27 4728.11 4746.24 4750.78 4767.20 4790.29 4812.85 4837.61 4849.61 4853.53 4873.01 4882.49 4889.68 4891.15 4897.86 4921.72 4923.95 4968.60 5316.66 5596.64 0.509598 0.535986 0.536930 0.445708 -1596.274844 -1596.248457 -1596.247513 -1596.338734 3.059567D-04 MUNgauss RevisionA2.0 retrievium 08-Aug-2020 DUDE CCOc1ccc(cc1)N2C[C@@H](CC2=O)C(=O)NC[C@@H](c3cccs3)[NH+](C)C C36685209 RHF 6-31G(d) (6D,10F) C1 402.185139 |X|Y|Z| 34.355918 45.138953 129.456044 58.554254 20 6 7 16 17 2 1 |36.858105| |12.576841|36.858105| |8.076112|13.527138|73.516695| |5.232095|7.974024|25.191464|36.858105| |4.090328|5.245423|14.595226|13.684415|36.858105| |3.201181|3.978155|9.424874|7.927964|13.832575|36.858105| |2.971583|3.773827|8.194358|6.824615|7.918491|13.693432|36.858105| |3.334792|4.494460|9.237785|7.922826|6.899059|7.978626|13.786124|36.858105| |4.393755|6.678649|13.985653|13.736712|7.950705|6.892417|7.911041|13.727035|36.858105| |2.433121|2.954184|6.096463|4.520473|5.143456|7.811695|13.388313|7.803400|5.128452|53.358707| |2.179925|2.562087|5.281370|3.720721|4.382336|6.319551|7.586110|5.189127|3.936640|17.864773|36.858105| |1.890066|2.187181|4.349323|2.947938|3.281065|4.266231|5.123003|4.086643|3.190476|11.004080|12.401073|36.858105| |1.746929|1.988026|3.948632|2.618854|2.942715|3.725898|4.164084|3.379952|2.757874|7.975948|8.741715|17.566892|0.500000| |1.896006|2.207364|4.332902|2.941763|3.190860|4.087647|5.136835|4.266260|3.269436|11.147967|7.920715|12.359898|0.241743|36.858105| |2.210367|2.650784|5.255559|3.724505|3.985129|5.302999|7.741771|6.252558|4.339649|19.088779|8.097713|7.882278|0.159526|12.529174|36.858105| |2.260908|2.730620|5.280607|3.698077|3.756232|4.657644|6.572073|6.291105|4.471349|11.326191|5.433314|5.354592|0.119163|7.904296|15.967498|73.516695| |1.818126|2.099665|4.086970|2.726042|2.917009|3.592937|4.334853|3.784063|3.009596|8.113281|7.516794|12.539557|0.248912|7.576225|5.888425|8.047102|36.858105| |1.936592|2.256566|4.372791|2.928468|3.071777|3.717512|4.552777|4.136158|3.286498|7.889785|6.751035|7.899923|0.167587|5.718161|5.325447|7.616996|15.844471|73.516695| |1.613572|1.834523|3.516365|2.287641|2.418281|2.874988|3.341730|3.026271|2.501621|5.847010|5.061767|7.806909|0.203669|6.053402|4.527949|6.685685|13.977467|15.230823|53.358707| |1.533820|1.733943|3.268622|2.093665|2.163917|2.492671|2.871929|2.717978|2.302400|4.720426|3.846675|5.044678|0.131611|4.359127|3.628248|5.684499|7.875520|12.609544|18.032715|36.858105| 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|1.342426|1.486372|2.751965|1.708494|1.737985|1.917814|2.121591|2.071039|1.846662|3.235047|2.569235|2.964005|0.080364|2.661942|2.405146|3.950060|3.822586|7.026667|6.258512|6.800573|9.173548|0.181942|7.214188|4.979820|4.074373|4.326809|45.612171|25.706261|0.500000| |1.519628|1.704914|3.133713|1.958782|1.956384|2.149623|2.430580|2.438466|2.162764|3.650644|2.813541|3.140513|0.080906|2.840512|2.685732|4.443798|4.186904|8.564829|6.171942|6.465858|7.498019|0.191404|4.956282|3.908151|3.141383|3.123934|28.583821|17.286634|0.258654|36.858105| |1.393182|1.535122|2.853777|1.760725|1.797005|1.963025|2.130886|2.074001|1.877511|3.171977|2.560792|2.804913|0.076101|2.434506|2.264543|3.687027|3.549166|6.900611|5.266459|4.915445|7.594912|0.200048|6.441031|5.380336|4.181057|3.982355|34.238878|17.314939|0.260597|7.782345|36.858105| |17.581536|8.865397|12.937873|4.890908|4.027861|3.149367|2.870377|3.139261|4.019040|3.221347|2.124314|1.843517|0.047630|1.860973|2.162236|3.939679|1.751725|3.277723|2.123631|1.474176|1.432580|0.042547|1.330190|1.329408|1.223000|1.160304|8.549281|1.858990|0.035681|1.438336|1.326033|0.500000| |17.578562|8.863050|12.943521|4.871051|3.998917|3.128161|2.857241|3.131960|4.013361|3.209071|2.154660|1.861314|0.048017|1.838294|2.117478|3.790582|1.799247|3.421904|2.173435|1.520899|1.498066|0.044872|1.385303|1.389157|1.270453|1.198421|8.822237|1.956321|0.037312|1.518569|1.409485|0.300937|0.500000| |17.558075|8.879976|10.246312|4.237966|3.386972|2.773661|2.648564|3.000991|3.839515|3.017532|1.990888|1.755615|0.045141|1.770741|2.048750|3.758139|1.705266|3.230346|2.078582|1.464338|1.426888|0.042328|1.314492|1.304694|1.196538|1.139179|8.452235|1.876521|0.036000|1.469444|1.341082|0.300510|0.300478|0.500000| |8.844404|17.549648|16.530854|7.123820|4.813717|3.831616|3.766680|4.612113|6.787516|4.047766|2.525158|2.183558|0.054961|2.253617|2.737854|5.148444|2.085821|3.950218|2.491720|1.728488|1.649248|0.049050|1.500953|1.477357|1.342337|1.279134|9.589169|2.136720|0.040839|1.683555|1.498111|0.212173|0.173357|0.212452|0.500000| |8.847387|17.542655|16.525026|7.056614|4.761063|3.791497|3.735515|4.587418|6.757113|4.022151|2.575733|2.212745|0.055544|2.213185|2.647989|4.827403|2.167005|4.209681|2.572826|1.804959|1.751261|0.052704|1.581297|1.560442|1.405626|1.330572|9.977991|2.288211|0.043335|1.816318|1.621606|0.173404|0.212097|0.212638|0.300879|0.500000| |4.116579|4.863541|13.492895|8.955685|17.741537|8.910617|5.629989|4.967510|5.665611|5.668362|3.792419|2.917811|0.074731|2.809109|3.350810|5.619139|2.601154|4.818501|2.992759|1.977285|1.920947|0.058522|1.788407|1.822850|1.648858|1.528055|11.143394|2.381207|0.045002|1.798448|1.686606|0.116234|0.115148|0.093231|0.121020|0.119711|0.500000| |2.813124|3.330363|7.631233|5.653213|8.993395|17.722105|8.881273|5.658098|4.962727|9.727725|6.836919|4.474135|0.112659|4.134860|4.977786|7.504579|3.610959|6.425061|3.961111|2.480494|2.363005|0.072567|2.200961|2.250746|2.008969|1.845750|13.486192|2.810245|0.052844|2.085106|1.950518|0.078010|0.077396|0.068362|0.089083|0.088127|0.215951|0.500000| |2.978140|3.898997|7.454331|5.651158|4.969763|5.665852|8.949144|17.770917|8.945350|9.734621|4.830807|4.130520|0.093489|4.489246|6.671312|12.931439|3.986770|7.827435|4.373910|2.927496|2.619796|0.078996|2.254346|2.144178|1.873528|1.786970|13.938076|3.259776|0.061065|2.637687|2.159969|0.077633|0.077517|0.076636|0.113752|0.113367|0.107843|0.124259|0.500000| |4.662688|7.385625|12.467440|8.872694|5.639476|4.966406|5.656994|8.973804|17.768028|5.683015|3.318646|2.819973|0.068340|2.920750|3.762070|7.125749|2.733492|5.331480|3.161908|2.183439|2.050982|0.061702|1.816514|1.764370|1.571321|1.494371|11.396745|2.635168|0.049746|2.116491|1.814807|0.114545|0.114754|0.117693|0.224429|0.226025|0.124212|0.107762|0.217812|0.500000| |2.238272|2.629027|5.434567|3.807247|4.459241|6.151410|6.993884|5.083725|3.984190|12.423199|17.642432|8.694215|0.190800|5.751550|6.005607|7.956109|7.290230|13.525505|6.635926|3.880733|3.713882|0.121830|3.298505|3.348921|2.782731|2.492474|18.693033|4.112741|0.074560|3.000735|2.780026|0.059901|0.062258|0.056664|0.070628|0.074559|0.107767|0.179358|0.129895|0.093515|0.500000| |2.136648|2.471528|5.164148|3.576323|4.408750|6.378525|6.499562|4.473271|3.598901|12.300326|17.546845|8.822054|0.225887|6.521195|6.422005|8.315272|5.599080|8.860726|5.774551|3.296968|3.064528|0.094397|2.880845|2.957176|2.588074|2.351154|17.233364|3.428522|0.064243|2.462227|2.319172|0.058588|0.058849|0.053910|0.067489|0.067865|0.110053|0.221467|0.112546|0.084276|0.300851|0.500000| |1.780488|2.061711|3.964210|2.643296|2.783123|3.411902|4.237289|3.794402|2.976224|8.165746|5.704594|8.546192|0.188589|17.610951|8.856342|12.715455|7.235328|9.787940|8.996795|4.875748|3.652373|0.101387|3.226793|2.926558|2.571441|2.535388|20.621160|4.078084|0.079218|3.031080|2.506947|0.048383|0.047862|0.046664|0.058789|0.057851|0.068595|0.094043|0.115558|0.075938|0.128638|0.133627|0.500000| |1.819762|2.093214|4.121757|2.760314|3.038116|3.848952|4.533748|3.745977|2.983942|8.942066|6.560471|8.743337|0.221726|17.561754|8.965562|11.920611|5.592385|7.834147|6.680509|3.673613|3.035136|0.086236|2.837039|2.715207|2.447437|2.367973|18.225836|3.412228|0.066302|2.476879|2.191928|0.050151|0.048950|0.047170|0.059553|0.057557|0.075749|0.111796|0.106259|0.074170|0.134575|0.174185|0.302505|0.500000| |1.536240|1.734979|3.327877|2.152238|2.290625|2.719472|3.107693|2.790813|2.329060|5.435534|4.689506|7.395850|0.218874|6.183592|4.335533|6.463245|9.270607|10.873957|26.075499|9.024813|6.094031|0.154278|5.702983|4.803711|4.030088|4.010435|34.818658|5.766312|0.112824|3.784971|3.382974|0.041546|0.042141|0.040406|0.048298|0.049231|0.058348|0.077559|0.081595|0.060079|0.120273|0.114671|0.191438|0.148179|0.500000| |1.424602|1.598263|2.994171|1.899159|1.957040|2.231217|2.540206|2.420431|2.077945|4.121290|3.293649|4.268457|0.115619|3.925913|3.242236|5.211372|5.799538|9.108293|12.578195|17.603360|8.744384|0.174068|6.936715|4.791417|3.980764|4.287100|46.347503|8.922805|0.191120|5.583403|4.437182|0.038192|0.039148|0.037943|0.044476|0.046002|0.050043|0.061904|0.072379|0.055147|0.090354|0.080807|0.125337|0.095354|0.231365|0.500000| |1.608343|1.833203|3.427209|2.203390|2.238928|2.564436|3.020071|2.939351|2.471292|4.905621|3.805074|4.781306|0.118020|4.352585|3.815556|6.103429|7.397423|13.536009|12.663104|17.679468|8.768907|0.210359|5.502276|4.186715|3.338362|3.345433|31.552459|9.593879|0.173480|7.607383|4.658102|0.042704|0.044130|0.042787|0.050944|0.053414|0.056260|0.069479|0.090191|0.065717|0.107159|0.088900|0.137756|0.099589|0.187192|0.301956|0.500000| |1.454993|1.602593|3.085292|1.932460|2.074006|2.346649|2.468751|2.243719|1.997764|3.816471|3.423706|3.811126|0.113325|2.976368|2.627400|4.066473|4.550832|7.909535|6.605018|4.767710|6.684085|0.208879|8.913108|17.727687|8.597204|5.738212|37.658538|6.725051|0.120924|3.787347|5.170873|0.039010|0.041054|0.038195|0.043208|0.046029|0.054729|0.067931|0.062531|0.051756|0.104527|0.089302|0.080544|0.076106|0.123371|0.115914|0.110765|0.500000| |1.230108|1.332307|2.546076|1.566320|1.678762|1.866460|1.925996|1.763710|1.600213|2.934848|2.535434|2.823194|0.087056|2.375507|2.083527|3.309078|3.071613|5.118493|4.643361|3.353750|4.032974|0.108748|5.715352|8.585952|17.762965|8.922752|37.701598|4.645393|0.093087|2.720167|3.563493|0.033320|0.034635|0.032469|0.036154|0.037845|0.045062|0.054539|0.049067|0.041819|0.073263|0.069290|0.065130|0.063654|0.095855|0.091065|0.079358|0.201778|0.500000| 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|1.463286|1.628522|2.967495|1.831823|1.816422|1.965138|2.192436|2.222233|2.010315|3.222038|2.459881|2.678552|0.069702|2.455391|2.358616|3.956126|3.402861|6.872760|4.918136|4.767281|5.531589|0.145634|4.149092|3.427143|2.849884|2.845696|25.182560|12.306018|0.214727|17.662120|7.570843|0.038389|0.040729|0.039519|0.044575|0.048361|0.046694|0.052863|0.066370|0.055177|0.072944|0.060723|0.072162|0.060442|0.086859|0.121188|0.148672|0.092794|0.069683|0.069847|0.298754|0.500000| |1.499785|1.687374|3.088015|1.934870|1.923629|2.120010|2.425310|2.450793|2.157187|3.678321|2.779074|3.167987|0.081064|2.967205|2.786234|4.673182|4.196354|8.270070|6.378810|6.923278|6.568878|0.159100|4.533402|3.539659|2.930178|2.990923|27.999846|12.209208|0.230262|17.694253|5.666111|0.039544|0.041338|0.040390|0.046711|0.049751|0.048930|0.056938|0.074810|0.058918|0.080321|0.067442|0.090487|0.071598|0.109965|0.176302|0.250325|0.093563|0.070556|0.073079|0.299178|0.301229|0.500000| 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