Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]([C@@H](c1cccs1)N2CC[NH+](CC2)Cc3ccccc3)NC(=O)C(=O)Nc4cc(ccc4OC)Cl C38597168 RHF 6-31G(d) (6D,7F) C[C@H]([C@@H](c1cccs1)N2CC[NH+](CC2)Cc3ccccc3)NC(=O)C(=O)Nc4cc(ccc4OC)Cl C01[X(C27H32Cl1N4O3S1)] 198 C1 612 COc1ccc(cc1NC(=O)C(=O)N[C@@H]([C@@H](c1cccs1)N1CC[NH+](CC1)Cc1ccccc1)C)Cl COc1ccc(cc1NC(=O)C(=O)N[C@@H]([C@@H](c1cccs1)N1CC[NH](CC1)Cc1ccccc1)C)Cl COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H](N2CC[NH](CC2)Cc3ccccc3)c4sccc4 InChIKey=NUUCJGPRJDSZEC-CLOONOSVSA-N InChI=1S/C27H32ClN4O3S/c1-19(29-26(33)27(34)30-22-17-21(28)10-11-23(22)35-2)25(24-9-6-16-36-24)32-14-12-31(13-15-32)18-20-7-4-3-5-8-20/h3-11,16-17,19,25,31H,12-15,18H2,1-2H3,(H,29,33)(H,30,34)/t19-,25+/m1/s1 InChI=1/C27H32ClN4O3S/c1-19(29-26(33)27(34)30-22-17-21(28)10-11-23(22)35-2)25(24-9-6-16-36-24)32-14-12-31(13-15-32)18-20-7-4-3-5-8-20/h3-11,16-17,19,25,31H,12-15,18H2,1-2H3,(H,29,33)(H,30,34)/t19-,25+/m1/s1/f/h29-30H C[C@H]([C@@H](c1cccs1)N2CC[NH+](CC2)Cc3ccccc3)NC(=O)C(=O)Nc4cc(ccc4OC)Cl C01[X(C27H32Cl1N4O3S1)] 198 C01 612 COc1ccc(cc1NC(=O)C(=O)N[C@@H]([C@@H](c1cccs1)N1CC[NH+](CC1)Cc1ccccc1)C)Cl COc1ccc(cc1NC(=O)C(=O)N[C@@H]([C@@H](c1cccs1)N1CC[NH](CC1)Cc1ccccc1)C)Cl COc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)[C@H](N2CC[NH](CC2)Cc3ccccc3)c4sccc4 InChIKey=NUUCJGPRJDSZEC-CLOONOSVSA-N InChI=1S/C27H32ClN4O3S/c1-19(29-26(33)27(34)30-22-17-21(28)10-11-23(22)35-2)25(24-9-6-16-36-24)32-14-12-31(13-15-32)18-20-7-4-3-5-8-20/h3-11,16-17,19,25,31H,12-15,18H2,1-2H3,(H,29,33)(H,30,34)/t19-,25+/m1/s1 InChI=1/C27H32ClN4O3S/c1-19(29-26(33)27(34)30-22-17-21(28)10-11-23(22)35-2)25(24-9-6-16-36-24)32-14-12-31(13-15-32)18-20-7-4-3-5-8-20/h3-11,16-17,19,25,31H,12-15,18H2,1-2H3,(H,29,33)(H,30,34)/t19-,25+/m1/s1/f/h29-30H 4032.7690264612 -2340.262916 1-A 33911.4074 139 473 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.86649 -92.05292 -20.66119 -20.62575 -20.61945 -15.84273 -15.69185 -15.67548 -15.67514 -11.44161 -11.43900 -11.43797 -11.43138 -11.43027 -11.39848 -11.39390 -11.38164 -11.37532 -11.37228 -11.36637 -11.36211 -11.36055 -11.35119 -11.35102 -11.35000 -11.34915 -11.34890 -11.34617 -11.34534 -11.34121 -11.32284 -11.31537 -11.30968 -11.29873 -11.29742 -11.29734 -10.59977 -9.06282 -8.06918 -8.06582 -8.06577 -6.74540 -6.74448 -6.74285 -1.50396 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0.81620 0.81812 0.82210 0.82637 0.83748 0.84511 0.85751 0.86668 0.86940 0.87219 0.87681 0.88096 0.88779 0.89871 0.90365 0.91390 0.92172 0.92520 0.92907 0.94600 0.95536 0.96019 0.96235 0.96368 0.97031 0.97638 0.98566 0.98667 0.98688 0.99440 0.99845 1.00146 1.00555 1.00839 1.00892 1.01267 1.01533 1.02338 1.03101 1.03190 1.03494 1.03839 1.04077 1.05231 1.05657 1.05813 1.06431 1.06731 1.06858 1.07332 1.07419 1.07620 1.08218 1.08455 1.08834 1.09339 1.09477 1.10084 1.10284 1.10315 1.10819 1.11416 1.11721 1.12171 1.12671 1.13575 1.13701 1.14220 1.14575 1.14789 1.15161 1.16433 1.17263 1.17427 1.17648 1.18170 1.18850 1.19141 1.19694 1.20855 1.22477 1.22824 1.23330 1.24044 1.24724 1.25391 1.25657 1.26105 1.26942 1.28297 1.29084 1.30060 1.30694 1.31299 1.31726 1.32818 1.33047 1.34586 1.36219 1.36549 1.38141 1.38226 1.39456 1.40395 1.41182 1.41595 1.42445 1.43490 1.44630 1.46407 1.47319 1.47974 1.49011 1.49796 1.51004 1.53500 1.54519 1.55859 1.56217 1.56859 1.58002 1.58669 1.58992 1.59767 1.59890 1.60707 1.62025 1.63738 1.64155 1.64330 1.64907 1.65382 1.65707 1.66312 1.66608 1.66971 1.67537 1.68499 1.70290 1.70749 1.71865 1.72631 1.73019 1.73915 1.74820 1.76813 1.77369 1.78697 1.78976 1.79182 1.81626 1.85899 1.86030 1.90563 1.91384 1.92577 1.92890 1.93378 1.94946 1.96337 1.97104 1.98274 1.98777 1.99675 2.00291 2.01416 2.01614 2.02864 2.03707 2.04018 2.04589 2.05195 2.05808 2.06644 2.06926 2.07282 2.08286 2.08750 2.10008 2.11337 2.12156 2.12944 2.13433 2.13735 2.14600 2.14884 2.16562 2.17639 2.18420 2.19142 2.19599 2.20208 2.21914 2.22251 2.22698 2.23828 2.24898 2.26093 2.26508 2.26963 2.27377 2.27574 2.27913 2.28651 2.29498 2.30543 2.31016 2.31337 2.33247 2.34589 2.35513 2.35824 2.36306 2.38155 2.38769 2.39030 2.39538 2.39886 2.40595 2.42111 2.42197 2.43325 2.43557 2.44689 2.45633 2.47272 2.48651 2.49425 2.49768 2.50058 2.51628 2.51669 2.52386 2.52485 2.53173 2.54123 2.54494 2.55159 2.55409 2.56424 2.57498 2.58054 2.59116 2.59854 2.62096 2.62858 2.63476 2.65205 2.66361 2.66632 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862.2319 895.6518 900.0053 905.8786 919.5232 924.4346 928.0100 940.9899 949.9606 959.8459 988.4750 994.2251 1004.1721 1026.7138 1034.0686 1038.9123 1055.8414 1061.1003 1063.0717 1067.3021 1081.1775 1090.7036 1097.7156 1111.6053 1128.7795 1129.3604 1145.0121 1148.5800 1153.0630 1158.9209 1161.4781 1173.3404 1190.4833 1204.5488 1214.4627 1216.5669 1223.1251 1236.1231 1247.2843 1265.2228 1274.5373 1280.2827 1293.3333 1296.0070 1305.5034 1307.4898 1320.6628 1323.3280 1330.9556 1333.6077 1343.0187 1360.6328 1373.0089 1376.8362 1413.8337 1422.5073 1432.8976 1448.1892 1455.0770 1456.6468 1477.2468 1483.8687 1490.4578 1494.7348 1515.3474 1520.2414 1529.3213 1544.3443 1558.9084 1569.9953 1577.4359 1579.1977 1582.4626 1590.3003 1602.7485 1623.8676 1626.6201 1628.3830 1636.0976 1641.6546 1642.9743 1643.5875 1649.6801 1650.5483 1654.3775 1657.9329 1664.1807 1670.9674 1671.6695 1714.7023 1762.3323 1767.4187 1786.0511 1800.7313 1806.0660 1812.5900 1937.2832 1965.9169 3125.2806 3142.4054 3178.8012 3221.0192 3226.8179 3270.3809 3278.0552 3284.5870 3290.7012 3292.1500 3296.6110 3312.4843 3330.8535 3332.5359 3339.6812 3339.6904 3341.3971 3341.5720 3354.9979 3360.8820 3382.9315 3394.2443 3394.3349 3401.7027 3405.2159 3413.7427 3418.0080 3446.5009 3467.1537 3684.5341 3837.6400 3854.5195 7.3199 6.5420 5.7351 4.9857 5.3990 6.3892 4.6745 5.2331 8.2243 3.5259 5.3995 5.7252 3.9994 6.5553 4.3669 3.9463 6.2857 5.2802 4.3968 6.0858 4.7185 3.1264 4.5137 2.4853 2.1519 3.5672 1.7193 2.0870 1.6866 3.5885 7.0471 4.3984 5.7221 3.6316 2.4110 4.9617 3.6477 7.2043 2.7057 2.8810 3.6809 2.3454 3.6273 3.2960 3.7021 3.2397 7.3628 4.1860 5.4153 4.6205 4.1713 4.4619 4.4047 3.8524 3.0658 1.6712 2.8456 6.2738 7.1993 3.4410 3.5486 2.1229 1.0994 4.5240 4.7981 1.2214 5.0697 1.6881 3.2017 3.1940 4.5152 9.6259 1.8938 4.4659 1.4283 2.5243 2.6907 1.2509 1.5387 3.2618 2.1804 2.6443 2.6092 1.3850 1.6500 1.3930 1.9898 1.3457 2.7847 5.7889 2.8232 1.3719 2.2249 1.7964 1.6494 1.3513 1.7747 2.1957 5.5407 2.8237 1.8061 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245.91 309.34 314.45 339.75 356.98 368.33 371.62 398.45 403.25 410.80 428.94 462.79 492.76 509.49 516.50 536.68 584.35 594.39 608.05 634.79 653.88 668.70 698.82 725.11 733.21 747.62 766.26 808.98 834.98 842.02 872.48 876.14 926.19 935.66 940.19 949.60 969.60 975.06 976.46 1015.27 1032.79 1110.24 1117.42 1133.20 1154.71 1165.82 1181.75 1197.83 1207.53 1240.56 1288.64 1294.91 1303.36 1322.99 1330.06 1335.20 1353.87 1366.78 1381.00 1422.20 1430.47 1444.78 1477.21 1487.79 1494.76 1519.12 1526.69 1529.52 1535.61 1555.57 1569.28 1579.37 1599.35 1624.06 1624.90 1647.42 1652.55 1659.00 1667.43 1671.11 1688.18 1712.84 1733.08 1747.34 1750.37 1759.80 1778.51 1794.56 1820.37 1833.77 1842.04 1860.82 1864.67 1878.33 1881.19 1900.14 1903.97 1914.95 1918.76 1932.30 1957.65 1975.45 1980.96 2034.19 2046.67 2061.62 2083.62 2093.53 2095.79 2125.43 2134.96 2144.44 2150.59 2180.25 2187.29 2200.35 2221.97 2242.92 2258.87 2269.58 2272.11 2276.81 2288.09 2306.00 2336.38 2340.34 2342.88 2353.98 2361.97 2363.87 2364.76 2373.52 2374.77 2380.28 2385.40 2394.38 2404.15 2405.16 2467.07 2535.60 2542.92 2569.73 2590.85 2598.53 2607.91 2787.32 2828.52 4496.58 4521.22 4573.59 4634.33 4642.67 4705.35 4716.39 4725.79 4734.59 4736.67 4743.09 4765.93 4792.36 4794.78 4805.06 4805.07 4807.53 4807.78 4827.09 4835.56 4867.28 4883.56 4883.69 4894.29 4899.35 4911.61 4917.75 4958.75 4988.46 5301.22 5521.51 5545.79 0.607837 0.639766 0.640710 0.537658 -2339.655079 -2339.623150 -2339.622206 -2339.725258 3.456381D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE C[C@H]([C@@H](c1cccs1)N2CC[NH+](CC2)Cc3ccccc3)NC(=O)C(=O)Nc4cc(ccc4OC)Cl C38597168 RHF 6-31G(d) (6D,10F) C1 527.188334 |X|Y|Z| 75.599225 32.321262 164.776164 73.841416 30 6 7 16 25 4 1 |36.858105| |12.479781|36.858105| |8.895862|17.657465|0.500000| |7.296137|12.244541|0.246903|36.858105| |5.472829|9.015553|0.219875|17.487261|0.500000| |6.099122|7.460784|0.153132|12.592553|0.251170|36.858105| |4.611687|5.538665|0.121758|7.445794|0.198088|14.133906|36.858105| |3.846088|4.134949|0.094550|5.021780|0.130156|8.175621|13.255834|36.858105| |4.002378|3.994881|0.091543|4.794582|0.116547|7.662614|8.247300|14.188351|36.858105| |5.439879|5.215053|0.115698|6.664189|0.142670|10.928786|7.467555|7.457535|11.027328|388.023441| |6.007612|7.510836|0.193387|12.912735|0.251499|7.814670|5.218043|4.072045|4.193705|43.718248|53.358707| |4.175252|5.002855|0.132283|7.890753|0.204585|6.511024|4.943400|3.997397|4.060512|38.501850|17.863420|36.858105| |3.497263|3.826437|0.104229|5.079839|0.130272|4.560538|3.681469|3.244259|3.444533|31.880095|10.616951|12.554990|36.858105| |3.361386|3.641837|0.105123|4.412280|0.115223|3.711121|3.052715|2.684816|2.812342|25.447744|8.979155|7.698351|12.707328|53.358707| |3.126311|3.507580|0.103561|4.228495|0.116435|3.493611|2.951745|2.564895|2.618943|22.904725|8.053285|7.147845|9.323621|25.688458|0.500000| |4.176195|4.422437|0.132443|5.011718|0.124354|3.941272|3.134549|2.714427|2.855206|26.787500|10.649369|6.713189|7.759718|17.296076|0.259870|36.858105| |5.441842|6.536028|0.206482|7.645190|0.184095|5.048190|3.840292|3.136573|3.203256|30.610154|17.882210|8.060008|6.664616|10.406083|0.197506|12.517985|36.858105| |2.771912|2.877132|0.082451|3.309181|0.086868|2.951378|2.515578|2.297511|2.436027|21.266179|6.037474|4.966473|7.620544|17.140716|0.258912|7.566765|4.935153|36.858105| |2.492272|2.586954|0.076060|2.846277|0.076238|2.506268|2.179542|1.988701|2.077168|17.679910|4.918742|3.833326|4.976635|10.343294|0.203903|6.149937|4.264570|12.648693|36.858105| |2.235424|2.372178|0.070174|2.610988|0.072034|2.303188|2.047320|1.863213|1.912576|15.859119|4.349256|3.476903|4.260384|8.049064|0.185004|4.765072|3.713640|7.596662|13.685387|36.858105| |2.021017|2.130791|0.063529|2.279787|0.063255|2.018149|1.816873|1.660944|1.695693|13.858236|3.665839|2.837488|3.285340|5.802830|0.130582|3.816770|3.137456|5.034778|7.910963|13.770534|36.858105| |1.995586|2.061892|0.061651|2.154020|0.058993|1.910569|1.714815|1.576030|1.619261|13.274927|3.435913|2.569287|2.938437|5.129947|0.109623|3.629010|2.967354|4.446134|6.856011|7.943923|13.733442|36.858105| |2.167734|2.193966|0.065389|2.276222|0.061126|2.018538|1.787747|1.647740|1.713391|14.267645|3.688978|2.698638|3.139755|5.585476|0.112952|4.128085|3.218302|5.023940|7.916286|6.875600|7.932099|13.754408|36.858105| |2.441070|2.462456|0.072775|2.607890|0.068992|2.305369|2.007123|1.845563|1.939016|16.491138|4.392481|3.233127|3.959571|7.506664|0.143102|5.426308|3.854965|7.564067|13.713544|7.934294|6.869562|7.938701|13.746413|36.858105| |7.831458|13.165571|0.262758|7.787795|0.207794|6.352608|5.719075|4.234959|3.824916|31.345354|6.880671|3.943074|3.091095|3.975328|0.079931|3.346558|4.496370|2.392962|2.189497|2.054961|1.875855|1.813100|1.900197|2.088675|53.358707| |5.252974|7.812053|0.212287|5.901986|0.184148|4.814379|4.682814|3.569359|3.161115|24.735815|5.769655|3.532798|2.807447|3.685461|0.076185|3.037602|4.006485|2.236551|2.087843|2.001270|1.847879|1.777159|1.833878|1.984996|19.417782|36.858105| |4.579307|6.759264|0.217811|5.548922|0.184506|4.250132|4.029728|3.121603|2.813376|22.353822|5.837385|3.634641|2.897077|3.908011|0.082706|3.223813|4.316065|2.349029|2.224733|2.159084|2.001279|1.913298|1.955121|2.103115|11.487170|15.827518|73.516695| |4.020455|5.038976|0.132818|4.223250|0.128314|3.903928|4.131693|3.354112|2.908777|21.311894|4.404675|2.844564|2.338841|3.048301|0.062935|2.446435|3.037708|1.905427|1.789856|1.729879|1.613916|1.556674|1.597587|1.710916|10.824236|12.376659|14.093627|36.858105| |3.983576|4.649718|0.116134|3.959681|0.114949|3.938189|4.321025|3.643454|3.126059|22.104150|4.144696|2.688940|2.234110|2.871599|0.058539|2.292538|2.790186|1.814121|1.691450|1.624052|1.512463|1.463881|1.510538|1.622642|9.766328|8.024803|9.808727|15.857520|73.516695| |3.239396|3.953977|0.110343|3.471032|0.107535|3.175850|3.347412|2.799489|2.456851|17.909768|3.823962|2.541850|2.130009|2.817540|0.058963|2.234478|2.718020|1.780239|1.696742|1.662656|1.567691|1.509758|1.532994|1.622434|7.298614|7.979307|12.594049|14.284849|14.844276|53.358707| |2.662240|3.086913|0.085482|2.793739|0.084878|2.648431|2.835159|2.474587|2.181535|15.520448|3.183111|2.162962|1.853488|2.451126|0.051238|1.918506|2.264511|1.576861|1.510921|1.488425|1.413959|1.364846|1.380382|1.450211|5.355132|5.060214|8.304487|7.721650|11.465522|18.417440|36.858105| |2.512244|2.815206|0.075954|2.568313|0.076271|2.525796|2.754021|2.480335|2.181112|15.138299|2.937087|2.004268|1.732500|2.269840|0.047019|1.768804|2.059539|1.473507|1.404878|1.377425|1.307145|1.265548|1.285201|1.352514|4.851586|4.219788|6.643184|6.336532|11.569821|10.533882|13.796321|36.858105| |2.127710|2.336112|0.063491|2.168092|0.063954|2.146465|2.329696|2.150020|1.913965|13.193944|2.542928|1.758786|1.544961|2.031424|0.042124|1.570202|1.795366|1.334755|1.279757|1.260691|1.203654|1.167144|1.180924|1.235227|3.851267|3.238675|5.298461|4.340783|7.920719|6.991242|7.974709|13.719457|36.858105| |1.939167|2.135951|0.059059|1.997874|0.059305|1.949711|2.089535|1.922888|1.727316|12.032669|2.381900|1.660426|1.469656|1.949251|0.040681|1.500598|1.704001|1.286503|1.243541|1.234056|1.185663|1.148978|1.155398|1.200592|3.434333|2.915281|4.964825|3.694617|6.385310|6.199238|6.859658|7.911867|13.873620|36.858105| |2.006551|2.248880|0.063264|2.099772|0.063132|2.005236|2.124941|1.920489|1.727783|12.225161|2.508948|1.748265|1.542106|2.061596|0.043348|1.589684|1.815870|1.354242|1.315977|1.312708|1.264363|1.222419|1.223717|1.268002|3.601829|3.156183|5.560964|3.921431|6.369182|7.088691|7.918256|6.858990|7.984906|13.697548|36.858105| |2.315338|2.662114|0.075479|2.453431|0.074798|2.300021|2.427539|2.140940|1.913304|13.700722|2.882003|1.986970|1.727157|2.310866|0.048722|1.795633|2.089083|1.499105|1.452770|1.445933|1.386020|1.336908|1.340700|1.395440|4.370261|4.035158|7.180417|5.194511|7.834575|10.872398|13.578995|7.902972|6.903429|7.931806|13.823670|36.858105| |2.357271|2.758589|0.080438|2.548596|0.078789|2.321359|2.402646|2.088832|1.881173|13.729716|3.028097|2.089744|1.815312|2.459221|0.052387|1.914128|2.237907|1.587794|1.551008|1.554583|1.495663|1.438507|1.433893|1.486394|4.417469|4.180661|8.042639|4.866624|6.986699|9.980865|8.191092|5.289601|4.637737|5.189092|7.868114|14.097041|73.516695| |2.049256|2.353518|0.069091|2.209346|0.067719|2.018134|2.072410|1.829509|1.667152|12.179628|2.699362|1.888186|1.669706|2.283648|0.048899|1.762764|2.019820|1.492492|1.474102|1.491847|1.450437|1.395755|1.379612|1.415845|3.622592|3.267878|6.368583|3.591255|5.417551|6.486007|5.243743|3.975321|3.798708|4.500900|6.700734|7.986999|24.114779|36.858105| |1.947334|2.080521|0.055784|1.948772|0.056480|1.976989|2.158690|2.057246|1.844593|12.477048|2.308465|1.604286|1.424481|1.861994|0.038328|1.433128|1.616795|1.234956|1.180241|1.158216|1.105408|1.075012|1.091426|1.142657|3.363311|2.691109|4.359448|3.438702|6.670037|5.023922|4.780365|7.054517|10.936692|7.050449|4.769700|4.232091|5.790414|2.830547|448.794386| |17.574002|8.770556|0.206437|6.748429|0.138939|5.630224|4.152279|3.571867|3.872994|39.786325|9.114856|4.493917|3.926095|5.211960|0.095786|4.997068|6.254999|3.149167|2.790928|2.440153|2.183818|2.169555|2.400051|2.756267|7.669440|4.219286|6.952202|3.320115|5.804842|3.791863|2.337309|2.207291|1.903714|1.755797|1.819915|2.076561|3.789756|1.886453|14.086022|0.500000| |17.599526|8.769912|0.173773|6.445506|0.137164|6.531999|5.076754|4.415274|4.712925|44.928776|7.052574|3.863537|3.260968|4.123711|0.078086|3.582162|4.413163|2.552069|2.275191|2.050669|1.855005|1.827085|1.977087|2.220980|9.716493|4.778271|7.137497|3.932501|7.326185|4.250451|2.616591|2.533467|2.148503|1.933505|1.970311|2.250188|3.993827|1.950781|16.061079|0.303050|0.500000| |17.579129|8.871459|0.220102|5.406227|0.124410|4.602680|3.779911|3.245887|3.327294|29.788681|6.352846|3.457674|2.994607|4.045984|0.077918|3.688605|4.615369|2.514977|2.324503|2.101292|1.932912|1.931182|2.096118|2.317933|9.552151|5.112116|7.979070|4.026812|7.054206|4.473114|2.713006|2.556296|2.167405|1.978276|2.049163|2.364383|4.277603|2.092305|15.882146|0.300785|0.301657|0.500000| |4.141436|5.250368|0.120316|6.660106|0.206224|8.921076|17.735597|8.599327|5.740996|37.711378|6.333443|4.493809|3.356074|3.898390|0.078862|2.928595|3.621410|2.364635|2.086173|1.991690|1.781919|1.675165|1.727804|1.918123|8.092887|5.297177|8.046661|4.797509|8.736582|5.276415|3.239087|3.109621|2.589610|2.314650|2.367403|2.739771|4.807298|2.298274|18.901941|0.102093|0.121680|0.098071|0.500000| |3.232450|3.462654|0.081668|4.018937|0.108681|5.708252|8.582739|17.756361|8.917742|37.699235|4.559690|3.352497|2.801460|3.216264|0.063414|2.367918|2.693401|2.058471|1.805352|1.709521|1.536888|1.458391|1.514789|1.680029|4.998106|3.234384|5.056046|3.182546|6.241693|3.683798|2.452091|2.504032|2.194024|1.952479|1.927669|2.123792|3.637381|1.797096|17.113169|0.083361|0.101579|0.078404|0.202002|0.500000| |3.432255|3.321702|0.078336|3.816930|0.094525|5.396287|5.688802|8.773139|17.787312|55.356048|4.766571|3.441685|3.075454|3.468381|0.065755|2.567444|2.789675|2.269986|1.945394|1.790770|1.595907|1.530954|1.622398|1.829196|4.351527|2.706350|4.331396|2.541565|4.874674|2.974226|1.975396|1.994628|1.775852|1.607329|1.597362|1.747974|3.044079|1.531449|13.939822|0.093919|0.111475|0.081660|0.122643|0.203541|0.500000| |3.707749|4.630990|0.128247|6.870091|0.211647|5.459037|4.539483|3.621596|3.511793|30.641856|12.254499|17.401406|8.859944|9.408343|0.209711|5.875465|7.232929|4.589895|3.751900|3.584235|2.940926|2.607574|2.665401|3.118872|5.213202|3.618753|6.885231|2.907478|4.780488|3.611580|2.250317|2.055908|1.805182|1.718812|1.828754|2.089571|3.960903|2.020151|13.071915|0.107031|0.094582|0.088171|0.122656|0.087056|0.083654|0.500000| |3.963775|4.649762|0.116918|7.409608|0.192589|7.655790|5.959316|4.862344|4.931356|45.537465|12.436417|17.658949|9.030494|7.645565|0.145604|4.988856|5.756008|4.139520|3.250867|2.989027|2.488838|2.269347|2.374110|2.798019|5.256296|3.421880|6.051138|2.838059|4.870393|3.421160|2.158963|2.027656|1.780624|1.668949|1.740694|1.967201|3.626263|1.835923|13.154217|0.115374|0.107026|0.090737|0.143740|0.110573|0.113139|0.302779|0.500000| |2.950330|3.230670|0.088168|4.179460|0.112414|3.930527|3.364177|3.037266|3.181255|27.499916|7.656491|8.815759|17.620250|12.365694|0.225514|5.640865|4.984700|7.086759|4.762021|4.316514|3.294622|2.871160|2.987884|3.689138|3.711307|2.531216|4.655901|2.157226|3.671939|2.709459|1.753483|1.644003|1.477953|1.412493|1.480819|1.646855|3.074958|1.603806|10.974923|0.089605|0.077814|0.071581|0.086689|0.074458|0.080276|0.214607|0.214507|0.500000| |3.591777|3.714661|0.098710|4.770203|0.116499|4.555072|3.626193|3.314307|3.685849|35.527017|9.594547|8.847593|17.630310|12.407389|0.181794|7.030729|5.843443|7.057036|4.594413|3.786685|2.999102|2.767403|3.035171|3.862655|4.072325|2.657948|4.767565|2.241236|3.867071|2.754509|1.772082|1.674543|1.496487|1.416447|1.474646|1.642635|3.039550|1.570819|11.181868|0.115233|0.094818|0.084762|0.089253|0.078854|0.092828|0.173346|0.215751|0.299767|0.500000| 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