Version2.3 2021-03-31T02:33:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)c4c3ccc(c4OC)OC)(C)C)C C08952470 RHF 6-31G(d) (6D,7F) CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)c4c3ccc(c4OC)OC)(C)C)C C01[X(C24H36N3O4S1)] 198 C1 556 COc1c(OC)ccc2c1C(=O)N1[C@H]2SC([C@H]1C(=O)NC1CC(C)(C)[NH2+]C(C1)(C)C)(C)C COc1c(OC)ccc2c1C(=O)N1[C@H]2SC([C@H]1C(=O)NC1CC(C)(C)[NH2+]C(C1)(C)C)(C)C COc1ccc2[C@@H]3SC(C)(C)[C@H](N3C(=O)c2c1OC)C(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4 InChIKey=SYVGNPVBGMUUOZ-NQIIRXRSSA-O InChI=1S/C24H35N3O4S/c1-22(2)11-13(12-23(3,4)26-22)25-19(28)18-24(5,6)32-21-14-9-10-15(30-7)17(31-8)16(14)20(29)27(18)21/h9-10,13,18,21,26H,11-12H2,1-8H3,(H,25,28)/p+1/t18-,21+/m1/s1 InChI=1/C24H35N3O4S/c1-22(2)11-13(12-23(3,4)26-22)25-19(28)18-24(5,6)32-21-14-9-10-15(30-7)17(31-8)16(14)20(29)27(18)21/h9-10,13,18,21,26H,11-12H2,1-8H3,(H,25,28)/p+1/t18-,21+/m1/s1/fC24H36N3O4S/h25-26H/q+1 CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)c4c3ccc(c4OC)OC)(C)C)C C01[X(C24H36N3O4S1)] 198 C01 556 COc1c(OC)ccc2c1C(=O)N1[C@H]2SC([C@H]1C(=O)NC1CC(C)(C)[NH2+]C(C1)(C)C)(C)C CO[C]1[C]([CH][CH][C]2[C]1C(=O)N1[C@H]2SC([C@H]1C(=O)NC1CC(C)(C)[NH2]C(C1)(C)C)(C)C)OC CO[C]1[CH][CH][C]2[C]([C]1OC)C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)NC4CC(C)(C)[NH2]C(C)(C)C4 InChIKey=CJAOHQXYAKLQHP-NQIIRXRSSA-N InChI=1S/C24H36N3O4S/c1-22(2)11-13(12-23(3,4)26-22)25-19(28)18-24(5,6)32-21-14-9-10-15(30-7)17(31-8)16(14)20(29)27(18)21/h9-10,13,18,21H,11-12,26H2,1-8H3,(H,25,28)/t18-,21+/m1/s1 InChI=1/C24H36N3O4S/c1-22(2)11-13(12-23(3,4)26-22)25-19(28)18-24(5,6)32-21-14-9-10-15(30-7)17(31-8)16(14)20(29)27(18)21/h9-10,13,18,21H,11-12,26H2,1-8H3,(H,25,28)/t18-,21+/m1/s1/f/h25H 3676.5527480234 -1789.9302858 1-A 19051.2231 124 432 556 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.00480 -20.65542 -20.63785 -20.63066 -20.61751 -15.83666 -15.68542 -15.67739 -11.45466 -11.44923 -11.44686 -11.43779 -11.39766 -11.38168 -11.37367 -11.37200 -11.37170 -11.37057 -11.37056 -11.36732 -11.36714 -11.36217 -11.35989 -11.35823 -11.34250 -11.32845 -11.32195 -11.31469 -11.31339 -11.31215 -11.29112 -11.28707 -9.01557 -6.69820 -6.69706 -6.69478 -1.49982 -1.49336 -1.48350 -1.47532 -1.46200 -1.37350 -1.34773 -1.26372 -1.24213 -1.22923 -1.18887 -1.15988 -1.13482 -1.11212 -1.10537 -1.09125 -1.08482 -1.08091 -1.05438 -1.02173 -1.01442 -0.99763 -0.99352 -0.96112 -0.95511 -0.92656 -0.92276 -0.90790 -0.89310 -0.88088 -0.84859 -0.83743 -0.82343 -0.80890 -0.79604 -0.79458 -0.78736 -0.77451 -0.76547 -0.76162 -0.74644 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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|A|A|A|A|A|A|A|A|A|A|A|A| 12.4041 13.8256 24.6857 35.2643 56.1607 60.5751 68.8301 70.8420 83.3715 109.5986 118.1429 129.7830 138.5780 144.6123 152.4271 164.4487 178.3250 183.5640 200.3252 219.1478 240.5114 251.6167 265.7660 271.7517 274.5864 277.1584 278.9640 287.0499 299.2989 309.1278 320.9974 322.5964 333.2110 334.5362 343.1760 358.8722 364.3691 368.7252 376.2389 403.6333 412.3386 418.3969 446.6404 458.1918 466.3855 490.0294 506.1355 507.5032 512.3229 527.6613 550.2890 570.2864 582.8787 591.0196 607.4657 642.1460 657.9675 689.5986 704.1672 719.2767 790.0542 803.3653 805.6116 816.5649 823.2728 827.7109 881.2460 891.5895 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288.22 315.30 346.04 362.02 382.38 390.99 395.07 398.77 401.37 413.00 430.62 444.77 461.84 464.14 479.42 481.32 493.75 516.34 524.25 530.51 541.32 580.74 593.26 601.98 642.62 659.24 671.02 705.04 728.22 730.18 737.12 759.19 791.74 820.51 838.63 850.35 874.01 923.90 946.67 992.18 1013.14 1034.88 1136.71 1155.86 1159.10 1174.85 1184.51 1190.89 1267.92 1282.80 1307.94 1329.90 1339.98 1345.06 1361.62 1377.95 1401.95 1424.25 1428.06 1465.99 1476.32 1489.72 1496.56 1505.70 1542.10 1544.36 1556.35 1580.62 1584.20 1608.80 1617.60 1647.22 1690.42 1702.52 1719.31 1724.23 1739.27 1762.80 1821.65 1833.94 1847.36 1849.00 1853.54 1854.03 1860.05 1881.04 1888.73 1904.56 1917.53 1919.93 1936.88 1948.54 1953.03 1967.44 1970.78 2009.90 2038.01 2039.19 2068.41 2086.74 2091.03 2111.30 2126.90 2133.01 2200.12 2205.58 2207.39 2243.46 2252.40 2257.92 2263.42 2265.45 2274.26 2278.55 2290.77 2295.51 2301.63 2329.41 2333.82 2336.29 2339.69 2343.15 2349.48 2350.51 2354.56 2363.50 2365.23 2369.18 2369.63 2370.16 2374.99 2375.97 2376.51 2381.62 2385.04 2386.47 2396.59 2427.85 2470.28 2581.15 2604.89 2613.73 2812.66 2836.89 4605.81 4611.30 4616.46 4617.30 4621.74 4623.79 4628.01 4641.67 4648.45 4650.01 4683.51 4693.46 4702.29 4710.17 4711.18 4712.79 4716.38 4718.73 4724.75 4743.85 4747.28 4749.34 4757.99 4758.37 4763.34 4767.38 4806.55 4808.46 4809.22 4834.04 4843.15 4863.54 4911.02 5282.88 5376.57 5486.50 0.630490 0.661645 0.662589 0.566925 -1789.299795 -1789.268641 -1789.267697 -1789.363361 3.208586D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)c4c3ccc(c4OC)OC)(C)C)C C08952470 RHF 6-31G(d) (6D,10F) C1 462.242654 |X|Y|Z| 63.813226 35.940534 116.992096 64.498644 20 6 7 16 16 3 1 |36.858105| |12.450326|36.858105| |7.450304|12.426002|36.858105| |5.925667|7.423424|12.461095|36.858105| |4.935904|6.324956|7.604966|12.434791|36.858105| |5.658384|7.070295|6.308061|7.416326|12.445945|36.858105| |7.576457|12.390398|7.683449|6.612702|7.701473|12.354147|53.358707| |7.299538|9.128183|5.690634|5.039041|5.696710|9.104309|25.688576|0.500000| |5.714472|9.252840|6.915455|5.757767|6.940973|9.246403|25.713265|0.330771|0.500000| |4.047266|4.886433|4.444094|4.891299|7.546554|12.443078|10.618622|0.196875|0.217029|36.858105| |5.705554|5.657208|4.932780|5.926891|7.446303|12.452004|10.291211|0.202078|0.158608|7.629154|36.858105| |4.243973|4.994646|7.856739|13.169671|7.791331|4.977441|6.141475|0.102352|0.118511|3.845133|4.234385|53.358707| |3.537135|3.842425|5.175601|7.823780|6.002376|4.175834|4.931910|0.086077|0.094510|3.380039|3.865048|18.985952|36.858105| |3.501553|3.650472|4.540532|6.948956|6.000518|4.359252|4.874989|0.086694|0.091314|3.517384|4.316634|11.558409|15.900310|73.516695| |2.888205|3.104453|4.042275|5.081293|4.168182|3.166503|3.932241|0.070355|0.077363|2.707937|2.952287|10.824606|12.463200|13.892013|36.858105| |2.795098|3.103023|4.105737|4.889733|4.102265|3.102198|3.931254|0.069883|0.079139|2.700368|2.796052|10.585273|9.016398|10.584684|17.618514|0.500000| |2.386669|2.514466|3.073887|3.742310|3.353705|2.674528|3.283353|0.060094|0.064938|2.378103|2.559838|6.806776|7.115969|10.950905|12.245050|0.245784|36.858105| |2.263481|2.286848|2.703015|3.192571|2.813175|2.359387|2.942028|0.054885|0.057334|2.085601|2.352940|5.332636|5.212434|8.987485|6.994459|0.147604|10.285775|388.023441| |2.655152|2.645789|3.206407|3.712290|3.038768|2.544395|3.262241|0.060469|0.062918|2.179684|2.531447|6.281351|5.857264|9.337756|7.726356|0.160253|7.047432|74.056686|36.858105| |2.876230|2.782173|3.315152|3.897795|3.155422|2.681447|3.417676|0.063682|0.064843|2.261822|2.742422|6.247460|5.804250|10.040561|6.365598|0.134254|5.677877|56.799748|17.603480|0.500000| |2.942003|3.051395|3.924400|4.583587|3.581673|2.871875|3.707567|0.067244|0.072149|2.429802|2.746926|8.719911|8.021177|10.652014|13.187027|0.258785|7.868181|51.573089|13.169844|0.252977|53.358707| |2.843301|2.978614|3.827049|4.065272|3.190857|2.628081|3.530590|0.064317|0.069680|2.248460|2.474842|7.323530|5.590480|7.739426|7.703997|0.210822|5.466471|36.485231|8.045503|0.172873|18.893730|36.858105| |2.908782|3.166857|4.182111|4.211680|3.313014|2.710137|3.718448|0.067077|0.074734|2.331872|2.475448|7.652185|5.213282|7.091070|6.641945|0.215487|4.692153|28.862530|5.435215|0.127750|11.441978|15.878401|73.516695| |2.522511|2.548720|3.090981|3.224279|2.623322|2.250464|3.039629|0.056572|0.059710|1.950974|2.177640|5.314020|4.148550|6.299864|5.263453|0.137558|4.478873|35.248150|8.048012|0.173734|11.396173|12.840586|13.852274|36.858105| |2.422035|2.398221|2.848388|3.093163|2.560782|2.208406|2.917080|0.054669|0.056742|1.917193|2.187981|5.019734|4.197679|6.698140|5.286287|0.127054|4.924574|46.751861|12.625665|0.247207|11.286155|8.153671|9.650472|13.677931|36.858105| |2.146791|2.093760|2.405108|2.571026|2.189385|1.938186|2.570594|0.048858|0.050036|1.705281|1.946439|3.995301|3.277885|5.464163|3.883265|0.096253|3.851522|37.474260|7.284895|0.177895|7.102299|5.235264|7.107660|7.952505|13.895929|36.858105| |1.997782|1.951464|2.214527|2.295337|1.969924|1.767570|2.383725|0.045570|0.046712|1.568152|1.763530|3.507322|2.765791|4.580787|3.211501|0.083228|3.131152|27.597550|4.966858|0.125225|5.629537|4.535070|6.567976|6.963322|8.018754|13.670492|36.858105| |2.051266|2.027928|2.319728|2.344148|1.995728|1.787332|2.447036|0.046619|0.048282|1.585231|1.756794|3.596773|2.746486|4.440673|3.198238|0.085758|3.000043|24.484258|4.469402|0.111142|5.622393|4.995055|7.493337|7.995483|6.864850|7.846967|13.731062|36.858105| |2.296390|2.310331|2.722374|2.731047|2.272851|1.999135|2.750027|0.051759|0.054415|1.756218|1.934095|4.308806|3.234468|5.045367|3.867394|0.105750|3.434200|26.574820|5.165702|0.123497|7.155041|7.364700|10.758524|13.810643|7.850244|6.763898|7.886190|13.563281|36.858105| |2.297750|2.349182|2.765489|2.672012|2.232521|1.975580|2.770270|0.052113|0.055401|1.744616|1.882539|4.164703|2.990438|4.625606|3.477449|0.099477|3.026964|22.004843|4.027227|0.099487|6.011419|6.297503|11.041371|8.010962|5.208614|4.580937|5.227135|7.980868|14.176600|73.516695| |2.040176|2.122423|2.481045|2.405554|2.066478|1.828735|2.554180|0.048116|0.051744|1.643841|1.726480|3.766508|2.709273|4.198081|3.193769|0.094393|2.872305|20.248588|3.439983|0.084054|5.171110|5.139781|9.650709|5.831721|4.220413|3.811305|4.303108|6.008531|8.117412|23.946488|36.858105| |1.878419|1.858916|2.089783|2.072853|1.791103|1.626337|2.249207|0.043156|0.044639|1.456842|1.595022|3.119975|2.336612|3.808156|2.655584|0.072656|2.505095|19.782881|3.404435|0.087063|4.432531|3.883228|6.258822|5.324044|4.628619|5.174937|7.878667|14.190631|8.198917|12.695949|5.998121|73.516695| |1.696405|1.663779|1.837300|1.831818|1.607222|1.476627|2.035087|0.039368|0.040341|1.332777|1.461943|2.715092|2.047754|3.402717|2.288100|0.062107|2.209385|17.706635|2.922969|0.076482|3.712155|3.088186|5.006357|4.002204|3.801556|4.503891|6.715441|8.007567|5.246906|8.327097|4.246183|24.138224|36.858105| |2.284074|2.412175|2.867323|3.572474|3.447632|2.758913|3.270805|0.060158|0.064771|2.513202|2.659992|6.104355|6.260484|11.247474|7.316304|0.169475|12.437280|48.738399|4.824567|0.122236|6.922160|3.884136|6.303372|3.317812|3.619846|3.041237|2.545412|2.429663|2.698450|4.345242|2.343890|3.716362|1.886644|36.858105| |2.098280|2.235204|2.700863|3.104776|2.837995|2.317993|2.917094|0.053741|0.058753|2.113222|2.184730|5.477620|4.916311|7.512522|7.625720|0.214976|12.391478|49.072376|5.313023|0.117985|8.169824|5.088261|8.231303|4.297581|4.433030|3.599027|3.066780|3.013417|3.453786|5.521867|3.102116|4.544986|2.245397|7.609270|36.858105| |7.628983|12.439395|7.551095|4.898088|4.454328|4.881624|10.617826|0.196857|0.216768|3.988446|4.042219|5.257483|3.074659|5.122791|2.641790|0.075100|2.186859|14.218634|2.296311|0.065890|3.579359|2.665898|5.151747|2.322934|2.149080|1.903315|1.812441|1.911274|2.169390|4.022896|2.070815|3.174589|1.601333|2.085915|2.006068|36.858105| |17.595442|8.933591|6.674277|5.110405|4.095466|4.364205|7.545902|0.148214|0.128274|3.329032|4.353360|5.410486|3.342760|5.754746|2.828948|0.076300|2.332442|15.977231|2.697436|0.081024|4.055118|2.959290|5.388140|2.663672|2.521534|2.242822|2.111487|2.190848|2.458731|4.413426|2.171780|3.581527|1.811259|2.187555|2.071753|7.175412|0.500000| |17.550245|8.757857|5.447097|4.615028|4.235253|5.214194|9.574652|0.222574|0.150119|3.976366|5.529422|4.735198|2.999798|5.373973|2.499984|0.067430|2.122915|14.416317|2.325402|0.069738|3.440650|2.447414|4.440334|2.211736|2.141341|1.930819|1.810076|1.850708|2.040860|3.636018|1.836734|3.045157|1.564374|2.060986|1.885572|6.856968|0.303031|0.500000| |17.666744|8.668188|6.846457|6.545158|5.287535|5.893529|8.976205|0.172484|0.138476|4.066772|6.684370|6.234053|3.949004|7.205110|3.124434|0.081771|2.580491|17.608469|2.915799|0.089918|4.333514|2.978500|5.273415|2.647043|2.598628|2.294336|2.099150|2.122568|2.365574|4.119228|2.044705|3.412759|1.737385|2.481698|2.217068|5.499545|0.303809|0.301190|0.500000| |5.487557|8.851632|17.514016|8.893960|6.930590|5.611078|9.255357|0.142055|0.198050|4.358138|4.199013|9.829618|4.764013|7.231901|3.922556|0.116510|3.007836|18.298887|2.981862|0.083211|5.039301|3.713263|7.558005|2.963788|2.685974|2.273007|2.114917|2.239589|2.643522|4.870167|2.518091|3.619698|1.785521|2.811144|2.724104|7.267705|0.141777|0.122957|0.138347|0.500000| |7.069164|8.945357|17.566672|8.815580|5.515401|4.746250|7.600330|0.127056|0.141722|3.563854|4.100106|9.705145|4.976584|7.603247|4.115787|0.115353|3.090646|19.862369|3.467041|0.099649|5.825240|4.356690|8.510902|3.512977|3.154404|2.639472|2.446476|2.598677|3.102187|5.652718|2.772994|4.142291|2.023112|2.786122|2.732998|6.719328|0.205772|0.141875|0.181236|0.303692|0.500000| |6.511836|6.730484|8.835722|17.600215|8.866926|6.753365|8.029581|0.134025|0.135552|4.449883|6.545393|12.600889|7.420402|13.432688|4.828164|0.121527|3.669921|23.545504|3.925455|0.120433|6.253920|3.955629|6.917863|3.256844|3.221954|2.697629|2.379010|2.389888|2.742934|4.673570|2.329119|3.732209|1.867884|3.508934|2.972626|4.440260|0.154165|0.138308|0.230877|0.174004|0.212263|0.500000| |4.210055|5.641874|6.954434|8.909109|17.522290|8.841613|9.290346|0.142342|0.199252|7.233110|5.479576|9.775548|5.398361|8.956780|4.040430|0.116459|3.272696|18.982305|2.844760|0.079877|4.639448|3.119559|5.939230|2.540784|2.438751|2.086682|1.896863|1.941423|2.222908|3.937154|2.084187|3.119089|1.570269|3.360318|2.867238|4.381464|0.100825|0.102636|0.118626|0.208848|0.141996|0.174565|0.500000| |4.102799|4.758121|5.532888|8.862667|17.613548|8.936568|7.604540|0.126950|0.141998|6.690552|7.046546|9.669095|6.508791|12.941946|4.374452|0.115733|3.648960|21.491835|3.140697|0.090962|4.928872|3.112309|5.592445|2.583883|2.584332|2.215162|1.968371|1.966045|2.217419|3.810996|1.992812|3.119982|1.583834|3.949049|3.001232|3.571509|0.097154|0.100659|0.126596|0.142044|0.123657|0.214380|0.303248|0.500000| |3.478786|3.997495|3.846124|4.479010|6.884010|8.876396|7.628690|0.143904|0.152947|17.599637|6.929239|5.044355|3.411229|6.497405|2.732197|0.074992|2.453638|15.216734|2.184647|0.062931|3.280995|2.196528|4.004223|1.912715|1.902411|1.695977|1.549713|1.554079|1.712800|2.998300|1.595436|2.531377|1.307196|2.667899|2.165630|3.302057|0.081420|0.094310|0.100312|0.104596|0.088307|0.115817|0.181532|0.198549|0.500000| |3.910398|4.494889|3.853186|4.036503|5.475582|8.738221|9.565989|0.208513|0.191845|17.546422|7.010356|4.396550|2.887900|5.361625|2.372467|0.065483|2.111088|13.454337|1.980914|0.057354|2.959421|2.032008|3.730799|1.792671|1.765150|1.588175|1.470251|1.485027|1.631181|2.886708|1.529883|2.442500|1.264569|2.217744|1.892397|3.837905|0.089420|0.112378|0.107370|0.103919|0.088688|0.106194|0.144463|0.138496|0.302367|0.500000| |3.704532|4.696723|4.417423|4.630365|6.882547|8.728562|9.686996|0.172895|0.235658|17.546787|5.506220|5.169398|3.267210|5.832015|2.680133|0.076011|2.346575|14.412173|2.115816|0.060101|3.252932|2.244488|4.210000|1.933697|1.877394|1.666059|1.541837|1.571257|1.749900|3.121018|1.669537|2.577682|1.322293|2.462589|2.124574|4.068954|0.087106|0.099964|0.100320|0.128321|0.098069|0.111836|0.217586|0.163548|0.302793|0.299822|0.500000| |6.655468|5.877901|5.285579|6.555562|6.850630|8.665596|8.944296|0.171616|0.138212|5.499691|17.669448|6.234168|4.234969|8.555042|3.179929|0.081903|2.717811|18.148924|2.815371|0.086681|4.122958|2.699644|4.724839|2.383466|2.412792|2.137014|1.921023|1.904636|2.098752|3.598508|1.830365|3.050410|1.568886|2.769168|2.282647|4.055355|0.139732|0.168557|0.252581|0.118410|0.126516|0.232593|0.138376|0.181385|0.142505|0.140916|0.122100|0.500000| |5.541127|5.216980|4.234618|4.617856|5.446229|8.753577|9.558298|0.221724|0.149935|6.852978|17.545802|4.729619|3.184309|6.184009|2.540042|0.067455|2.237022|14.853034|2.245325|0.067364|3.275805|2.210139|3.942827|1.977629|1.981569|1.787552|1.637559|1.634303|1.783744|3.105481|1.606491|2.663305|1.381987|2.311539|1.945029|3.971400|0.117678|0.165650|0.169819|0.102428|0.100719|0.138851|0.122821|0.141484|0.167118|0.206935|0.140457|0.300839|0.500000| |4.351841|4.363984|4.092959|5.108764|6.665311|8.942941|7.537994|0.147912|0.128274|7.179199|17.599609|5.390308|3.816432|7.905738|2.926131|0.076308|2.608430|17.005860|2.495543|0.074976|3.634538|2.368983|4.172107|2.095149|2.134393|1.907393|1.717217|1.695380|1.853846|3.182326|1.653363|2.731617|1.415113|2.795994|2.210044|3.326504|0.098246|0.117462|0.140035|0.100569|0.097042|0.154917|0.141393|0.204587|0.215291|0.180278|0.143903|0.304542|0.302776|0.500000| |3.994150|4.755522|7.671734|9.030159|5.942412|4.210636|5.583567|0.094355|0.110922|3.385545|3.587895|25.946290|9.422293|10.941896|7.792988|0.242385|4.801986|26.924874|4.625967|0.122685|9.326083|6.436717|13.276722|4.355676|3.878630|3.041829|2.714596|2.857513|3.534468|6.223229|3.159710|4.406022|2.121030|4.073834|4.118193|3.907102|0.108256|0.091215|0.114946|0.214765|0.215295|0.190696|0.165632|0.147124|0.089474|0.080740|0.095322|0.106816|0.084896|0.092542|0.500000| |2.043241|1.976799|2.238522|2.424453|2.099619|1.873730|2.459333|0.047012|0.047717|1.657224|1.906460|3.711146|3.095739|5.332380|3.574732|0.087437|3.702036|38.328590|6.510542|0.171520|6.155790|4.255178|5.995295|5.632767|8.895024|17.726001|8.900055|5.614243|4.896021|6.472046|3.148789|7.437735|3.913271|3.024259|3.393203|1.788821|0.058755|0.051482|0.061145|0.058551|0.067228|0.071403|0.055266|0.059702|0.046100|0.043011|0.044716|0.058144|0.048730|0.052375|0.076763|0.500000| |1.830035|1.777302|1.983582|2.050798|1.787498|1.623471|2.189079|0.042160|0.042926|1.451998|1.630399|3.081162|2.422801|4.082943|2.752887|0.071670|2.736914|24.035055|4.030974|0.105243|4.615365|3.614547|5.440291|5.002595|5.701656|8.958879|17.765637|8.927611|5.623465|7.500612|3.652431|12.591303|7.508086|2.292740|2.693748|1.660761|0.053614|0.046544|0.053326|0.052691|0.060304|0.059186|0.047824|0.049751|0.039942|0.038039|0.039604|0.049144|0.042352|0.044255|0.065567|0.216939|0.500000| |2.025072|2.121613|2.457053|2.327057|2.011779|1.796941|2.543605|0.048036|0.051880|1.622756|1.685217|3.578954|2.515030|3.912578|2.877152|0.085918|2.566392|17.778883|2.975385|0.074472|4.518132|4.348981|8.602507|4.608912|3.495386|3.186131|3.546428|4.703991|5.914302|16.898931|17.655575|8.788114|3.726289|2.144783|2.748201|2.111622|0.060176|0.050852|0.055649|0.070063|0.076332|0.062105|0.056758|0.053375|0.043480|0.042105|0.046038|0.049362|0.043814|0.044602|0.083675|0.075126|0.086310|0.500000| |1.852731|1.907627|2.192279|2.149233|1.872967|1.672600|2.321829|0.044061|0.046953|1.514652|1.594135|3.326303|2.435966|3.845580|2.859040|0.083010|2.665604|19.309469|3.187749|0.078292|4.574479|4.280997|7.632228|5.102944|3.977364|3.809297|4.519802|6.383057|7.206781|16.413900|17.607701|12.570700|4.972255|2.200006|2.901065|1.860162|0.054579|0.046762|0.051806|0.061436|0.067254|0.058366|0.052284|0.050609|0.041041|0.039344|0.042595|0.046880|0.041383|0.042656|0.075792|0.088150|0.109471|0.299625|0.500000| |2.055398|2.169412|2.576904|2.536025|2.186479|1.905542|2.635188|0.049287|0.053634|1.717536|1.783271|4.077679|2.951968|4.499648|3.603350|0.109731|3.241927|22.057335|3.672226|0.087436|5.723580|5.793103|11.310191|6.031585|4.359178|3.778363|4.032209|5.209570|7.150310|16.446575|17.590628|8.581386|3.630272|2.596961|3.632921|2.098336|0.060026|0.051245|0.057431|0.073490|0.078998|0.067370|0.061792|0.058830|0.046495|0.044079|0.048666|0.052284|0.045780|0.047657|0.096063|0.087412|0.094665|0.299796|0.297914|0.500000| |1.612056|1.586207|1.738486|1.715094|1.514944|1.400479|1.942493|0.037694|0.038667|1.270926|1.381678|2.522680|1.880821|3.125678|2.081295|0.057126|2.002363|15.680479|2.549758|0.067081|3.313717|2.762395|4.602998|3.426099|3.191817|3.611744|4.901504|5.888472|4.418725|7.612396|4.054987|17.004181|17.661378|1.730100|2.048450|1.544054|0.047889|0.041511|0.045495|0.047217|0.053047|0.048309|0.041312|0.041300|0.034542|0.033605|0.035141|0.040980|0.036456|0.037085|0.054858|0.089039|0.146546|0.103025|0.133506|0.094994|0.500000| |1.733668|1.678227|1.838303|1.835668|1.607327|1.486281|2.048519|0.039779|0.040372|1.336440|1.485054|2.690719|2.033772|3.414536|2.236897|0.059981|2.153627|17.513227|2.918996|0.078244|3.640950|2.966134|4.762710|3.821808|3.762915|4.583707|6.724058|7.054702|4.771933|7.433350|3.643287|16.434121|17.568037|1.853554|2.143761|1.608579|0.051600|0.044496|0.049539|0.049149|0.056332|0.052544|0.043298|0.044032|0.036397|0.035330|0.036639|0.044501|0.039090|0.039891|0.057882|0.113396|0.224443|0.090572|0.112199|0.088350|0.299999|0.500000| |1.602094|1.577688|1.743842|1.759000|1.556849|1.426527|1.949381|0.037701|0.038699|1.294386|1.413638|2.622196|2.002242|3.342040|2.259534|0.061191|2.232658|18.111606|2.895361|0.074985|3.622697|2.956229|4.761604|3.797839|3.743113|4.560775|6.705969|7.004430|4.729998|7.324303|3.915842|16.422226|17.566551|1.909372|2.295656|1.511841|0.047075|0.041138|0.045764|0.047210|0.052799|0.049768|0.042318|0.042923|0.035451|0.034077|0.035674|0.042004|0.037063|0.038254|0.056568|0.113000|0.226282|0.094400|0.129382|0.096675|0.300004|0.298580|0.500000| |2.293690|2.480098|2.962864|3.691441|3.705522|2.907374|3.418861|0.062407|0.068657|2.697230|2.721197|6.345479|6.111246|10.498089|6.711287|0.174837|8.822175|36.119853|4.050559|0.103516|6.180550|3.648032|6.206733|3.045749|3.184874|2.689200|2.312535|2.254220|2.526404|4.170934|2.278779|3.498422|1.772476|17.519629|6.898437|2.153178|0.060546|0.057608|0.068420|0.082493|0.078394|0.097079|0.103681|0.118687|0.080104|0.065278|0.074512|0.077056|0.065511|0.079579|0.117498|0.073268|0.058043|0.058654|0.059010|0.070545|0.045572|0.048177|0.049603|0.500000| |2.027043|2.121505|2.465727|2.970155|2.900758|2.404827|2.885121|0.053748|0.057375|2.232968|2.343302|4.870257|4.634701|8.428805|5.405310|0.132556|8.846970|45.222802|4.221153|0.106930|5.728740|3.379252|5.492305|3.017935|3.331606|2.902644|2.448098|2.311944|2.512564|4.037918|2.206504|3.565053|1.831944|17.571014|7.096911|1.864706|0.054230|0.051407|0.060784|0.067455|0.066991|0.081661|0.079085|0.090966|0.065975|0.055506|0.060913|0.067376|0.057516|0.068646|0.092657|0.081587|0.062086|0.056021|0.058403|0.067704|0.046703|0.049895|0.052045|0.302575|0.500000| |2.425665|2.524199|2.964412|3.807588|3.711569|2.981982|3.453466|0.063683|0.067364|2.683429|2.953179|6.252864|6.655173|14.020935|6.553971|0.145607|8.740118|45.895506|4.772379|0.129195|6.585688|3.642869|5.866284|3.156943|3.504342|2.976919|2.475146|2.339972|2.574657|4.136475|2.194681|3.583028|1.831359|17.678848|5.505569|2.144151|0.063867|0.060834|0.074528|0.078943|0.079358|0.107297|0.096955|0.122332|0.080019|0.065709|0.071549|0.086177|0.070447|0.087779|0.111096|0.083486|0.062285|0.056118|0.057276|0.066392|0.046629|0.050522|0.051226|0.300471|0.300888|0.500000| |2.097067|2.226926|2.702161|3.014738|2.686367|2.218170|2.851502|0.052619|0.057473|2.008427|2.089039|5.301435|4.537571|6.791851|7.098739|0.209795|8.720957|45.548598|5.672238|0.120753|8.930645|6.129871|9.731751|5.223713|5.135988|4.063504|3.504564|3.520652|4.147467|6.552689|3.735196|5.229078|2.527257|5.501391|17.577738|2.021394|0.058313|0.052174|0.061098|0.075849|0.077649|0.080255|0.075403|0.077062|0.056434|0.050288|0.056245|0.061007|0.052028|0.057930|0.115429|0.102429|0.083737|0.089373|0.096370|0.125755|0.063667|0.066103|0.071797|0.141231|0.142835|0.122464|0.500000| |1.897144|1.998246|2.356448|2.683711|2.503059|2.093191|2.631096|0.048998|0.052959|1.933389|1.999665|4.526201|4.002262|6.481687|5.520115|0.149815|8.791256|46.447388|4.603463|0.105411|6.424671|4.106095|6.632174|3.733516|3.988437|3.424816|2.935312|2.823059|3.111462|4.951752|2.809457|4.308181|2.171446|6.900960|17.592448|1.806239|0.052028|0.047869|0.055705|0.065733|0.066082|0.072419|0.069921|0.074015|0.055393|0.048530|0.053804|0.057831|0.049884|0.056645|0.093123|0.092306|0.073095|0.069330|0.074900|0.089769|0.055046|0.057593|0.062571|0.168074|0.212120|0.141713|0.302464|0.500000| |2.085039|2.264596|2.745011|3.138650|2.941995|2.380647|2.991083|0.054836|0.061015|2.200940|2.198825|5.553397|4.760944|7.185561|6.805847|0.220327|8.780882|36.224834|4.289079|0.100009|6.914052|4.525893|7.898520|3.718133|3.673135|3.040573|2.673705|2.685069|3.092939|5.140471|2.940731|4.147808|2.054665|7.006042|17.525447|2.045539|0.056802|0.052183|0.060610|0.078638|0.075882|0.081312|0.084777|0.086168|0.062759|0.054384|0.062288|0.062897|0.054358|0.061824|0.116732|0.079578|0.065953|0.074023|0.075705|0.096218|0.052770|0.054426|0.057965|0.209203|0.178154|0.141508|0.300472|0.301204|0.500000| |6.925108|8.865978|6.893911|4.485097|3.852961|3.994422|7.628251|0.143929|0.152780|3.301764|3.475915|5.072578|2.992335|4.918398|2.637325|0.075092|2.173748|14.310322|2.355409|0.067394|3.673472|2.806385|5.461517|2.465909|2.246327|1.991163|1.915533|2.044195|2.333456|4.389025|2.234331|3.411874|1.710538|2.035987|2.008378|17.598008|0.215021|0.167159|0.142353|0.182712|0.199849|0.115500|0.105076|0.088501|0.078702|0.088093|0.093165|0.100092|0.094251|0.081375|0.108249|0.051541|0.048621|0.063826|0.055395|0.062179|0.045933|0.047753|0.044496|0.057860|0.050725|0.057761|0.056946|0.050176|0.056482|0.500000| |5.506408|8.728391|6.880829|4.637562|4.429952|4.691915|9.681149|0.172745|0.235150|4.067376|3.700339|5.192868|3.012510|4.952425|2.622650|0.076130|2.177930|13.900936|2.212478|0.062528|3.486352|2.613151|5.148309|2.253645|2.071478|1.830664|1.747452|1.850839|2.109212|3.944683|2.066765|3.084610|1.553451|2.086060|2.025630|17.548138|0.143837|0.140530|0.122112|0.218467|0.163887|0.111691|0.129142|0.098334|0.093159|0.106977|0.121810|0.100111|0.099815|0.087055|0.108892|0.047724|0.044474|0.058891|0.051450|0.058708|0.041733|0.043023|0.040904|0.060615|0.051854|0.058938|0.056601|0.050562|0.058132|0.302759|0.500000| 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