Version2.4 2021-06-07T04:14:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1=C([C@@H](NC(=S)N1C)c2ccc(cc2)[N-]S(=O)(=O)c3cccc4c3nccc4)C(=O)OCC(C)C C35304131 RHF 6-31G(d) (6D,7F) CC1=C([C@@H](NC(=S)N1C)c2ccc(cc2)[N-]S(=O)(=O)c3cccc4c3nccc4)C(=O)OCC(C)C C01[X(C26H27N4O4S2)] 183 C1 602 CC(COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(cc1)[N-]S(=O)(=O)c1cccc2c1nccc2)C CC(COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(cc1)[N-]S(=O)(=O)c1cccc2c1nccc2)C CC(C)COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c2ccc([N-][S](=O)(=O)c3cccc4cccnc34)cc2 InChIKey=SFZBLFXRDYZNJM-DEOSSOPVSA-N InChI=1S/C26H27N4O4S2/c1-16(2)15-34-25(31)22-17(3)30(4)26(35)28-24(22)19-10-12-20(13-11-19)29-36(32,33)21-9-5-7-18-8-6-14-27-23(18)21/h5-14,16,24H,15H2,1-4H3,(H,28,35)/q-1/t24-/m0/s1 InChI=1/C26H27N4O4S2/c1-16(2)15-34-25(31)22-17(3)30(4)26(35)28-24(22)19-10-12-20(13-11-19)29-36(32,33)21-9-5-7-18-8-6-14-27-23(18)21/h5-14,16,24H,15H2,1-4H3,(H,28,35)/q-1/t24-/m0/s1/f/h28H CC1=C([C@@H](NC(=S)N1C)c2ccc(cc2)[N-]S(=O)(=O)c3cccc4c3nccc4)C(=O)OCC(C)C C01[X(C26H27N4O4S2)] 183 C01 602 CC(COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(cc1)[N-]S(=O)(=O)c1cccc2c1nccc2)C CC(COC(=O)C1=C(C)N([C]([NH][C@H]1[C]1[CH][CH][C]([CH][CH]1)[N][S]([O])([O])[C]1=[CH][CH]=[CH][C]2[C]1[N][CH][CH]=[CH]2)S)C)C CC(C)COC(=O)C1=C(C)N(C)[C](S)N[C@H]1[C]2[CH][CH][C]([CH][CH]2)[N][S]([O])([O])C3=CC=C[C]4C=C[CH][N][C]34 InChIKey=MLDRSBPZFQDZBQ-DEOSSOPVSA-N InChI=1S/C26H28N4O4S2/c1-16(2)15-34-25(31)22-17(3)30(4)26(35)28-24(22)19-10-12-20(13-11-19)29-36(32,33)21-9-5-7-18-8-6-14-27-23(18)21/h5-14,16,24,28,35H,15H2,1-4H3/t24-/m0/s1 InChI=1/C26H28N4O4S2/c1-16(2)15-34-25(31)22-17(3)30(4)26(35)28-24(22)19-10-12-20(13-11-19)29-36(32,33)21-9-5-7-18-8-6-14-27-23(18)21/h5-14,16,24,28,35H,15H2,1-4H3/t24-/m0/s1 4156.6372503010 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0.4776 0.8500 0.7153 0.8073 0.8233 0.8350 0.2329 0.7377 0.8568 0.5545 0.7819 0.6418 0.5879 0.3818 0.8502 0.3678 0.5530 0.8265 0.7564 0.4949 0.3554 0.7017 0.7778 0.0897 0.4266 0.7209 0.8325 0.2073 0.3759 0.8380 0.4169 0.3705 0.7437 0.2392 0.8300 0.8465 0.2625 0.2944 0.1961 0.8122 0.7454 0.3105 0.8220 0.7158 0.8480 0.8260 0.5557 0.8567 0.8075 0.3398 0.7856 0.5723 0.7813 0.7697 0.6774 0.8115 0.7649 0.5194 0.4942 0.4814 0.7801 0.2872 0.7928 0.8570 0.8571 0.8559 0.3864 0.2701 0.6928 0.3549 0.2396 0.8104 0.7810 0.6172 0.3455 0.8496 0.8108 0.8217 0.3750 0.8130 0.7878 0.3601 0.7027 0.4580 0.5911 0.7377 0.2453 0.1858 0.8447 0.5799 0.3097 0.8369 0.8082 0.7692 0.7774 0.6379 0.4413 0.8261 0.8279 0.7868 0.6395 0.8412 0.8121 0.8571 0.8357 0.6896 0.8431 0.8073 0.8557 0.3405 0.6012 0.7902 0.6541 0.6455 0.5856 0.3897 0.7677 0.3640 0.5749 0.8521 0.0846 0.7238 0.1599 0.0156 0.1731 0.8479 0.6559 0.8248 0.3485 0.7766 0.6986 0.6931 0.5736 0.7794 0.5606 0.6891 0.5448 0.8432 0.4445 0.3915 0.2792 0.8085 0.7163 0.3395 0.3432 0.4325 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 6 6 6 6 1 7 6 16 7 6 6 6 6 6 6 6 7 16 8 8 6 6 6 6 6 6 7 6 6 6 6 8 8 6 6 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 1 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 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 1.00783 12127.6689 37564.2731 45318.6674 0.99998 0.00347 0.00594 -0.00337 0.99983 -0.01804 -0.00600 0.01802 0.99982 1 0.00714 0.00231 0.00191 0.14881 0.04804 0.03982 8.57 14.96 27.94 35.64 47.52 57.24 63.90 68.55 86.83 93.36 114.58 119.06 150.29 167.04 180.47 224.12 248.81 259.15 272.45 276.37 284.18 299.66 323.57 340.29 348.30 359.96 377.32 391.33 416.40 448.34 456.90 475.34 510.91 520.47 545.23 578.28 594.74 618.13 658.03 665.10 670.32 679.42 686.50 731.48 748.00 753.86 769.61 804.72 829.63 846.19 847.90 879.51 889.49 905.63 942.52 951.73 987.24 1001.24 1009.97 1030.08 1049.56 1088.68 1102.12 1157.17 1194.14 1222.33 1229.27 1249.26 1270.84 1279.47 1306.35 1315.47 1318.11 1321.75 1333.50 1344.88 1353.88 1440.19 1459.94 1462.58 1504.49 1507.41 1518.23 1528.40 1531.77 1549.38 1551.80 1555.43 1572.58 1582.27 1590.39 1602.20 1606.49 1634.35 1664.01 1682.93 1697.74 1733.12 1735.14 1757.83 1770.47 1802.30 1807.47 1810.51 1818.82 1841.83 1863.63 1870.30 1871.59 1882.47 1916.20 1931.09 1934.91 1939.81 1947.30 1986.79 2023.23 2038.03 2060.41 2070.06 2095.23 2102.79 2125.90 2126.36 2165.36 2178.60 2185.38 2205.29 2240.76 2258.48 2259.51 2264.65 2277.26 2282.41 2292.30 2336.82 2345.63 2349.94 2352.17 2357.50 2358.05 2372.10 2378.69 2385.69 2392.52 2395.80 2401.96 2416.41 2475.74 2491.44 2562.01 2578.35 2605.87 2638.70 2663.73 2820.80 4588.05 4596.81 4639.50 4644.41 4662.65 4668.15 4670.10 4689.01 4701.28 4707.93 4729.18 4734.42 4755.15 4762.21 4793.18 4801.07 4805.78 4808.63 4820.64 4848.25 4857.76 4865.25 4866.37 4884.42 4898.78 4932.59 5566.96 0.536024 0.567678 0.568622 0.466951 -2312.009496 -2311.977841 -2311.976897 -2312.078568 3.410062D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CC1=C([C@@H](NC(=S)N1C)c2ccc(cc2)[N-]S(=O)(=O)c3cccc4c3nccc4)C(=O)OCC(C)C C35304131 RHF 6-31G(d) (6D,10F) C1 523.147374 |X|Y|Z| 75.551395 137.569546 37.497355 73.044661 24 6 7 16 19 4 1 |36.858105| |12.607741|36.858105| |7.540822|14.249641|36.858105| |4.868345|7.677616|12.584731|36.858105| |4.192582|5.903620|9.014508|17.630910|0.500000| |4.574112|7.093873|7.939306|12.983457|0.259896|53.358707| |5.131512|7.894402|6.784946|7.632048|0.163822|19.656918|36.858105| |3.748617|4.777704|4.232884|4.722583|0.114265|9.875644|11.222663|388.023441| |7.737078|13.512567|8.000212|6.745707|0.143913|11.368927|13.948723|50.197711|53.358707| |6.774848|7.653445|5.151072|4.474123|0.102983|7.167756|7.816538|44.855706|17.733139|36.858105| |3.931014|5.459436|7.452996|12.578500|0.251124|10.398264|5.560327|28.270936|6.908470|3.794239|36.858105| |3.105582|3.976263|5.133267|7.561327|0.207100|7.558178|4.183716|23.575311|5.116524|2.992284|13.676157|36.858105| |2.659997|3.239372|3.913868|5.015875|0.134809|5.593605|3.374882|20.138425|4.237965|2.609860|7.874288|13.849397|36.858105| |2.647898|3.163251|3.659062|4.361581|0.110540|5.046028|3.228458|19.486306|4.182836|2.652562|6.675958|7.825479|13.508696|36.858105| |3.126132|3.807095|4.317212|4.976754|0.116940|5.736945|3.784197|22.051871|5.052121|3.187890|7.854470|6.909985|7.957565|13.488068|36.858105| |3.926094|5.195660|6.166763|7.454063|0.155989|7.935768|5.050495|26.810718|6.776448|3.966149|13.688714|8.029764|6.932636|7.832313|13.819404|36.858105| |2.250816|2.594193|2.911989|3.328877|0.086845|4.011215|2.644983|16.605256|3.455404|2.264351|4.525011|5.237659|8.076536|14.001572|7.666627|5.123372|53.358707| |2.118080|2.375720|2.575114|2.813380|0.072494|3.480608|2.385866|15.254257|3.188819|2.157835|3.609607|3.815042|4.972984|7.437072|6.242779|4.301142|16.540735|388.023441| |2.081147|2.336349|2.466563|2.699726|0.068653|3.470669|2.434172|15.960605|3.230067|2.228080|3.384277|3.443462|4.225832|5.928235|5.694094|4.102923|10.237471|93.140449|73.516695| |2.198622|2.412973|2.600272|2.727253|0.069956|3.318449|2.303289|14.519993|3.169805|2.163732|3.421050|3.470117|4.245861|5.960992|5.765259|4.156907|10.146930|93.575470|13.960466|73.516695| |1.777784|1.961299|2.117310|2.302297|0.061033|2.889691|1.983030|12.970175|2.634221|1.799330|2.817956|3.070092|3.901496|4.869909|4.024393|3.128111|10.044852|75.439401|13.134666|12.918575|36.858105| |1.637293|1.798911|1.914040|2.081871|0.055220|2.676716|1.858408|12.420791|2.453364|1.696815|2.491227|2.679548|3.284349|3.935776|3.406915|2.743899|7.289487|50.128810|12.139724|9.270290|14.022548|36.858105| |1.464497|1.594010|1.691115|1.827795|0.049062|2.362977|1.644176|11.091426|2.170650|1.508441|2.136299|2.304890|2.753627|3.126459|2.741117|2.297264|5.440469|33.452331|8.070104|6.945188|7.866008|13.439116|36.858105| |1.413197|1.530065|1.633699|1.756094|0.047600|2.247696|1.555422|10.422638|2.061492|1.426722|2.039009|2.220624|2.644159|2.927424|2.544274|2.160693|5.036344|29.447738|6.633068|6.465904|6.785787|7.929417|14.072274|36.858105| 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|1.489816|1.597460|1.744107|1.842367|0.050898|2.272816|1.548314|10.080322|2.082076|1.418531|2.125565|2.352436|2.772376|2.928885|2.520396|2.193737|4.783636|25.175777|5.115945|6.283584|4.562935|3.825294|3.971191|5.142000|7.954674|6.941622|10.843589|13.458575|36.858105| |1.424308|1.531083|1.657160|1.762037|0.048424|2.205557|1.510925|9.952028|2.020266|1.384995|2.033234|2.241183|2.651208|2.837273|2.445238|2.113451|4.734177|25.741005|5.377419|6.161904|5.112080|4.544248|5.140117|7.682402|13.457095|7.869535|9.337605|8.025163|14.051663|36.858105| |6.361490|7.707693|12.827340|7.455314|0.195140|6.905601|4.443323|22.674114|6.887219|3.852359|5.888612|4.661784|3.714702|3.456102|3.905140|5.060821|3.837925|17.774645|4.134875|4.601045|2.087339|1.864198|1.659740|1.626133|1.771428|2.024998|3.029333|2.084493|1.811917|1.694544|36.858105| 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|2.885434|3.204887|4.079235|4.120573|0.131856|4.333114|2.704012|15.769195|3.693727|2.276917|4.105672|4.425591|3.854683|3.274611|3.147094|3.444225|3.879104|17.190458|3.803671|4.369611|2.157917|1.895132|1.728375|1.752069|1.961674|2.215144|3.442948|2.487350|2.152691|1.944483|5.256350|8.216582|14.196648|12.514476|36.858105| |2.461361|2.628038|3.161483|3.126786|0.095584|3.464326|2.237152|13.428234|3.086386|1.965028|3.187212|3.423182|3.201306|2.838841|2.703780|2.838922|3.518552|16.007539|3.515471|4.135732|2.066060|1.813258|1.676316|1.724940|1.948341|2.172526|3.423299|2.555435|2.225285|1.973656|3.949818|6.722236|9.079077|7.640437|12.439673|36.858105| |2.720366|3.038604|3.795288|3.962281|0.134610|4.353363|2.690097|15.947978|3.584344|2.205037|3.708784|4.023372|3.418232|2.858125|2.744877|3.037887|3.412672|15.178204|3.436327|3.777019|1.933867|1.731685|1.594361|1.610511|1.775350|1.970165|2.985339|2.160011|1.917499|1.759537|4.543351|6.985899|11.596644|7.534649|12.447112|7.541424|36.858105| |17.559311|8.848863|6.139814|4.280439|0.101656|5.428583|4.467788|24.242760|8.825204|6.401085|3.735230|2.966225|2.612060|2.675572|3.220799|3.959236|3.119806|15.641903|3.854717|4.127779|1.830478|1.683423|1.499955|1.444039|1.534620|1.731307|2.504138|1.708505|1.517093|1.451357|5.515251|10.956068|7.094692|3.382526|2.711455|2.362648|2.499685|0.500000| |17.603053|8.902834|5.741760|4.174378|0.102549|5.755059|4.991865|27.583130|10.031679|7.492832|3.386159|2.750592|2.379902|2.363112|2.745693|3.361581|2.774054|13.723633|3.411384|3.529807|1.640566|1.527059|1.374417|1.324079|1.396514|1.556274|2.231548|1.534254|1.379173|1.325847|4.840582|8.872628|6.569389|3.085702|2.542685|2.198881|2.458856|0.301025|0.500000| |17.739343|8.898121|7.094999|4.561126|0.114933|5.551610|4.276637|22.941750|7.758642|4.936549|3.699643|3.014503|2.583654|2.536809|2.921811|3.591999|2.957100|14.459827|3.499147|3.775402|1.726342|1.582397|1.423698|1.384985|1.480046|1.659595|2.422823|1.676098|1.491630|1.415675|7.265258|15.451380|8.772695|4.099766|3.141876|2.682235|2.951088|0.304561|0.300820|0.500000| |3.697551|5.176304|5.748587|9.026277|0.223559|26.036023|9.762154|51.120241|8.206524|4.352196|6.759293|5.582848|4.178136|3.668775|3.985828|5.158191|4.018494|17.996407|4.516562|4.199254|2.130049|1.989595|1.762258|1.672076|1.752135|1.972688|2.771628|1.859641|1.667078|1.627624|4.167701|5.979389|7.295786|3.169847|3.010245|2.429356|3.089882|0.091796|0.097217|0.093785|0.500000| |4.968875|5.745295|4.359891|4.114166|0.095201|6.820347|7.449955|51.172379|12.497630|17.721994|3.668388|2.937383|2.606332|2.681742|3.228554|3.923430|3.135856|15.732678|4.147065|3.893043|1.840956|1.752591|1.553212|1.456863|1.504817|1.682079|2.336780|1.567314|1.416485|1.393680|3.338339|5.538941|5.065603|2.386018|2.121367|1.843197|2.057496|0.136049|0.146357|0.108303|0.120579|0.500000| |6.224007|6.300873|4.452737|3.883952|0.093560|6.239022|6.470536|41.935758|12.235827|17.590172|3.250135|2.655020|2.324477|2.330654|2.718823|3.290404|2.749586|13.693529|3.521238|3.430464|1.635915|1.550705|1.392293|1.322660|1.373565|1.523561|2.138543|1.455575|1.320218|1.288969|3.486608|5.917651|5.183431|2.445204|2.138863|1.859465|2.105369|0.155625|0.219744|0.131696|0.108716|0.302204|0.500000| |7.617397|7.323237|4.952558|4.098706|0.094839|6.022436|5.808664|33.496072|12.454354|17.668988|3.623785|2.866870|2.545515|2.638670|3.216932|3.941879|3.086001|15.611960|4.014416|3.991256|1.820341|1.708963|1.516561|1.436513|1.500117|1.683812|2.375233|1.602099|1.438004|1.400056|3.900585|6.802687|5.581615|2.641518|2.264195|1.975801|2.152362|0.231745|0.223363|0.148340|0.102843|0.302280|0.299382|0.500000| |2.934053|3.704675|4.792423|7.036437|0.230089|7.289366|3.951195|22.728694|4.753576|2.784973|8.898355|17.645125|8.993827|5.602713|4.965628|5.673757|5.792047|22.867805|5.208557|5.244078|2.727560|2.418213|2.129030|2.074421|2.263975|2.618035|3.842051|2.575390|2.233681|2.121722|4.471349|6.300890|9.685935|4.421830|4.830508|3.617458|4.693643|0.076358|0.073188|0.080462|0.155888|0.075390|0.070197|0.073328|0.500000| |2.340018|2.778982|3.298214|4.093709|0.115241|4.743738|2.907753|17.920653|3.648800|2.289323|5.615144|8.925497|17.724059|8.936478|5.661644|4.983440|10.242856|33.053157|6.927456|6.937443|3.998108|3.368133|2.881243|2.814109|3.161416|3.832608|5.630172|3.578241|3.004429|2.869948|3.212332|4.944618|6.473579|3.364352|3.726786|3.186017|3.369286|0.063678|0.058899|0.063815|0.100447|0.063590|0.057571|0.061972|0.216588|0.500000| |2.985929|3.496732|3.766547|4.076235|0.096816|4.924636|3.421224|20.557186|4.700961|3.106525|5.629683|4.974866|5.641899|8.838506|17.759583|8.992978|9.354665|49.467141|12.057017|12.226132|4.205780|3.588755|2.839553|2.597780|2.805057|3.509794|4.941170|2.976523|2.494234|2.444466|3.451698|5.640840|5.860929|2.948335|2.757123|2.439298|2.415152|0.087812|0.073445|0.076969|0.094798|0.088450|0.073468|0.089070|0.107799|0.124090|0.500000| |4.632225|6.212485|6.635786|6.871616|0.140113|7.921071|5.595945|28.816222|8.216772|4.844225|8.897509|5.673449|4.979904|5.613724|9.019743|17.676312|5.648822|26.833214|6.646240|6.739834|2.803735|2.506529|2.119614|1.989736|2.129172|2.518079|3.614496|2.329343|2.004466|1.937358|5.155994|7.927765|7.891119|3.575292|3.121038|2.616219|2.782235|0.134102|0.108320|0.112555|0.136048|0.131913|0.106667|0.137765|0.124171|0.107991|0.219848|0.500000| |1.673239|1.844753|1.944134|2.120555|0.055710|2.764910|1.936808|13.068795|2.547923|1.774031|2.535268|2.680824|3.239866|3.935709|3.521960|2.832288|6.984321|48.932943|14.824442|8.867104|9.103760|17.777403|8.803222|5.655408|4.949850|5.639078|5.761761|3.380837|3.162706|3.619168|1.866089|3.137433|3.361031|1.811784|1.835068|1.737588|1.687679|0.047884|0.043499|0.044557|0.057207|0.051393|0.044876|0.049540|0.066769|0.090158|0.105052|0.072494|0.500000| |1.386145|1.504290|1.583195|1.708607|0.045858|2.236148|1.567104|10.699985|2.064117|1.444911|1.971984|2.108465|2.469770|2.766123|2.478357|2.113419|4.626022|27.887684|7.155968|5.906391|5.634462|8.829839|17.708847|9.007736|5.626086|4.908338|4.955062|3.187148|3.303292|4.150227|1.544648|2.620188|2.811247|1.544749|1.589268|1.538970|1.480307|0.039404|0.036354|0.037342|0.046478|0.041516|0.037182|0.040260|0.054472|0.071343|0.071459|0.054705|0.213337|0.500000| |1.309877|1.410399|1.500398|1.606043|0.043752|2.066723|1.434630|9.673683|1.901736|1.321278|1.838315|1.994902|2.330576|2.525856|2.227452|1.929374|4.190653|23.862372|5.513066|5.389016|4.904508|5.620728|8.985128|17.689865|8.830423|5.571272|5.685162|3.988727|4.703447|7.047334|1.496570|2.553318|2.762387|1.551944|1.623338|1.609147|1.504184|0.037104|0.034241|0.035744|0.042769|0.037444|0.034215|0.036913|0.052372|0.068992|0.062924|0.049716|0.123870|0.215416|0.500000| |1.732975|1.860496|2.068554|2.163053|0.059821|2.588580|1.745519|11.090255|2.372585|1.595265|2.527733|2.805478|3.312320|3.488595|2.992523|2.604875|5.496493|27.585368|5.341940|7.372709|4.304429|3.387008|3.195206|3.655767|5.022331|5.879900|12.870444|17.675469|8.820717|5.688024|2.206430|3.801593|4.228594|2.539442|2.737263|2.882967|2.329477|0.049100|0.043929|0.048638|0.052039|0.043743|0.041012|0.045195|0.073238|0.098056|0.080956|0.065431|0.081256|0.075302|0.090567|0.500000| |1.418705|1.510931|1.647657|1.728429|0.048066|2.134286|1.455931|9.492385|1.962438|1.339098|1.964056|2.163944|2.493924|2.582036|2.258730|2.006090|4.070919|21.156535|4.413801|5.349445|3.629759|3.153428|3.297305|4.138311|5.623621|4.990046|7.758797|8.797805|17.720701|8.943521|1.724778|2.978668|3.273308|1.938066|2.091194|2.202211|1.871239|0.040036|0.036570|0.039670|0.043445|0.037010|0.034799|0.037709|0.057801|0.074905|0.061861|0.051274|0.074633|0.078926|0.110746|0.212919|0.500000| |1.318709|1.411194|1.518543|1.610621|0.044392|2.033824|1.399462|9.293556|1.869183|1.287875|1.834093|2.009848|2.335456|2.467126|2.159920|1.895438|4.011244|21.752912|4.725511|5.207996|4.146056|3.945122|4.700335|7.037178|8.830941|5.606195|6.728395|5.654481|8.970352|17.689949|1.549459|2.658937|2.899218|1.668416|1.773067|1.805680|1.623689|0.037264|0.034281|0.036425|0.041800|0.036039|0.033454|0.036105|0.053356|0.070056|0.060033|0.048646|0.089905|0.111149|0.213088|0.124078|0.213140|0.500000| |3.593908|3.835911|4.876221|4.301500|0.123378|4.421669|2.872907|16.305012|4.169475|2.586868|4.335922|4.143432|3.680931|3.419474|3.539783|3.950590|3.994893|18.422670|4.071060|4.916433|2.229493|1.941905|1.746635|1.755059|1.966581|2.257335|3.534142|2.506574|2.132443|1.927633|7.419854|13.276379|16.584796|17.624470|8.814716|7.069578|5.487396|0.096721|0.083915|0.111819|0.081591|0.065728|0.066411|0.073929|0.112260|0.093162|0.088194|0.103675|0.052581|0.044536|0.044873|0.076927|0.057039|0.048532|0.500000| |3.613886|3.757261|4.680722|4.049509|0.123152|4.327926|2.820675|16.153967|4.070943|2.522321|3.686042|3.524216|3.040838|2.762508|2.847031|3.236733|3.272321|15.195750|3.452526|3.957752|1.882983|1.678093|1.530595|1.536531|1.694710|1.900881|2.902377|2.082465|1.825808|1.670750|7.102122|12.722071|16.520263|17.574796|8.786526|6.800914|6.877636|0.092528|0.086599|0.117858|0.080139|0.063293|0.066612|0.070850|0.101259|0.078737|0.071513|0.086874|0.045720|0.039477|0.039724|0.062977|0.049374|0.042682|0.301921|0.500000| |2.821430|3.220946|4.144934|4.450131|0.141368|4.589328|2.812707|16.375568|3.779193|2.316266|4.772943|5.534187|4.848560|3.933103|3.642549|3.919898|4.579821|19.592551|4.260603|4.915292|2.437229|2.112170|1.908768|1.933403|2.183257|2.502081|3.928460|2.801907|2.383527|2.147577|5.042051|7.636748|13.229954|9.015548|17.544703|8.899856|8.898444|0.074422|0.068955|0.083093|0.089571|0.060643|0.059715|0.063788|0.168369|0.130865|0.086437|0.094982|0.056577|0.048394|0.049357|0.085515|0.063561|0.053863|0.213790|0.174557|0.500000| |2.424631|2.528114|2.981367|2.869659|0.087384|3.242136|2.124940|12.834554|2.959032|1.901473|2.836116|2.959861|2.747484|2.479972|2.408798|2.552220|3.089629|14.335022|3.194689|3.719084|1.857711|1.649318|1.533665|1.575160|1.761961|1.943569|3.020753|2.259834|2.000245|1.788310|3.748520|6.601225|8.274964|6.893985|8.753477|17.511243|6.795935|0.064382|0.060611|0.074517|0.062907|0.049261|0.050483|0.053223|0.086710|0.075447|0.061184|0.066691|0.044113|0.039372|0.041068|0.070188|0.055348|0.045852|0.173846|0.201004|0.173226|0.500000| |2.193579|2.355534|2.794930|2.848330|0.087501|3.226592|2.081826|12.709467|2.829482|1.813674|2.938706|3.254388|3.113788|2.729595|2.537549|2.617143|3.449959|15.602993|3.421395|3.974753|2.057831|1.811531|1.690363|1.753740|1.985508|2.189864|3.445760|2.614372|2.303426|2.033503|3.329177|5.600882|7.463729|5.528958|8.789437|17.552454|6.911084|0.058566|0.055148|0.065450|0.063931|0.047708|0.047816|0.050350|0.097170|0.088876|0.063663|0.066507|0.047936|0.043094|0.045648|0.081994|0.063896|0.051864|0.143021|0.139482|0.212231|0.301666|0.500000| |2.448754|2.590619|3.083768|3.011922|0.089184|3.336648|2.179970|13.087375|3.040320|1.953449|3.162060|3.362080|3.243285|2.963088|2.827398|2.909760|3.713448|17.084699|3.698455|4.508050|2.199504|1.908149|1.758275|1.817397|2.076014|2.335379|3.754973|2.822292|2.414459|2.110915|3.857887|6.756557|8.444456|6.953432|8.750923|17.548545|5.477798|0.066498|0.060364|0.073758|0.064651|0.051022|0.051005|0.055152|0.095103|0.089046|0.071570|0.074605|0.050509|0.044573|0.046908|0.090478|0.066363|0.053240|0.212381|0.167306|0.213522|0.301002|0.301908|0.500000| |2.374707|2.644428|3.215024|3.453936|0.115220|3.925867|2.440680|14.832912|3.207497|2.001824|3.348094|3.778962|3.327471|2.755455|2.578719|2.779703|3.358455|14.858873|3.354881|3.657677|1.930032|1.732896|1.608617|1.635672|1.805022|1.985284|3.002635|2.195856|1.967196|1.802512|3.670003|5.754635|8.714710|5.487526|8.789842|6.877858|17.541090|0.061300|0.060384|0.070420|0.079269|0.052539|0.053196|0.054158|0.124386|0.094480|0.063246|0.070179|0.046658|0.041483|0.042596|0.065691|0.053610|0.046352|0.122977|0.140077|0.213087|0.168001|0.207034|0.140785|0.500000| |2.674400|2.895737|3.509043|3.497105|0.115494|3.963099|2.514649|15.059352|3.401369|2.121532|3.195014|3.335620|2.884572|2.491042|2.435502|2.694903|3.012762|13.699168|3.130273|3.439778|1.755797|1.584464|1.467639|1.483470|1.626528|1.789374|2.696632|1.963910|1.761030|1.619359|4.251163|6.835608|10.098525|6.790210|8.771339|6.841147|17.507530|0.067935|0.067791|0.082065|0.077574|0.054623|0.056974|0.057726|0.104616|0.078644|0.060588|0.070205|0.042988|0.038035|0.038695|0.058831|0.048064|0.041775|0.139868|0.202851|0.173347|0.201844|0.170440|0.139491|0.301353|0.500000| 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