Version2.1 2020-12-27T12:02:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C20599699 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C01[X(C24H26N2O5S2)] 171 C1 555 COC(=O)c1c2CC[NH+](Cc2sc1S(=O)(=O)[N-]c1cc(C)cc(c1)C)Cc1cccc(c1)O COC(=O)c1c2CC[NH+](Cc2sc1S(=O)(=O)[N-]c1cc(C)cc(c1)C)Cc1cccc(c1)O COC(=O)c1c2CC[NH+](Cc3cccc(O)c3)Cc2sc1[S](=O)(=O)[N-]c4cc(C)cc(C)c4 InChIKey=JLYSBSDOFAYXMX-UHFFFAOYSA-O InChI=1S/C24H25N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,27H,7-8,13-14H2,1-3H3/q-1/p+1 InChI=1/C24H25N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,27H,7-8,13-14H2,1-3H3/q-1/p+1/fC24H26N2O5S2/h26H/q Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C01[X(C24H26N2O5S2)] 171 C01 555 COC(=O)c1c2CC[NH+](Cc2sc1S(=O)(=O)[N-]c1cc(C)cc(c1)C)Cc1cccc(c1)O COC(=O)[C]1[C]2=C(S[C]1[S]([N][C]1[CH][C]([CH][C]([CH]1)C)C)([O])[O])C[NH](CC2)C[C]1[CH][CH][CH][C]([CH]1)O COC(=O)[C]1[C](SC2=C1CC[NH](C[C]3[CH][CH][CH][C](O)[CH]3)C2)[S]([O])([O])[N][C]4[CH][C](C)[CH][C](C)[CH]4 InChIKey=GOUBFIDTGUMEPY-UHFFFAOYSA-N InChI=1S/C24H26N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,26-27H,7-8,13-14H2,1-3H3 InChI=1/C24H26N2O5S2/c1-15-9-16(2)11-18(10-15)25-33(29,30)24-22(23(28)31-3)20-7-8-26(14-21(20)32-24)13-17-5-4-6-19(27)12-17/h4-6,9-12,26-27H,7-8,13-14H2,1-3H3 3782.8391405508 -2202.0404412 1-A 22677.2024 128 427 555 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0.7163 0.2807 0.5527 0.7643 0.8465 0.5197 0.4775 0.7495 0.8480 0.8429 0.6410 0.0866 0.7772 0.3096 0.2362 0.7246 0.8563 0.8569 0.2350 0.7818 0.5490 0.2541 0.8306 0.4207 0.3406 0.3739 0.2348 0.3379 0.8190 0.1235 0.4263 0.8528 0.4325 0.7739 0.3921 0.7998 0.6423 0.8458 0.7090 0.8571 0.7845 0.7110 0.4588 0.2231 0.1510 0.4137 0.8531 0.4288 0.4975 0.7242 0.5422 0.4210 0.3139 0.7194 0.2451 0.6853 0.5744 0.4468 0.5774 0.7647 0.8117 0.3025 0.8117 0.8236 0.8476 0.7524 0.8263 0.6283 0.4800 0.8561 0.4036 0.6734 0.8538 0.6621 0.2295 0.5377 0.7626 0.4160 0.7777 0.3979 0.8325 0.4419 0.8571 0.8125 0.4127 0.6926 0.6390 0.7258 0.7292 0.8107 0.5092 0.4860 0.8428 0.8571 0.8264 0.3507 0.8116 0.8282 0.7564 0.4395 0.6293 0.2241 0.8533 0.8509 0.5773 0.6713 0.7115 0.7460 0.8088 0.2590 0.1457 0.0715 0.8571 0.4401 0.1544 0.8560 0.1228 0.3585 0.8541 0.8571 0.1002 0.4688 0.8325 0.6906 0.4816 0.8361 0.8549 0.5400 0.4521 0.6537 0.4773 0.3059 0.7613 0.4269 0.3094 0.4573 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 6 6 6 6 6 6 6 7 16 8 8 6 6 6 6 16 6 7 1 6 6 6 6 6 6 6 6 6 8 6 8 8 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 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 31.97207 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 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 7376.4070 36867.0900 37825.6963 0.99999 0.00070 0.00362 -0.00061 0.99969 -0.02484 -0.00364 0.02484 0.99968 1 0.01174 0.00235 0.00229 0.24466 0.04895 0.04771 16.08 26.76 36.98 40.32 41.31 47.30 52.20 65.30 78.43 105.85 123.53 164.82 176.16 183.04 190.56 227.88 236.66 251.90 295.03 305.61 324.32 349.21 357.70 367.66 372.40 374.55 391.08 415.43 435.42 457.92 458.93 498.79 506.06 522.45 540.07 564.98 619.77 639.01 689.18 699.25 704.92 723.36 761.64 796.05 819.31 828.41 838.21 841.83 846.05 881.68 899.64 923.91 950.03 971.32 1010.00 1029.26 1047.02 1110.13 1123.86 1179.04 1214.95 1220.80 1258.88 1276.00 1303.81 1335.08 1336.47 1359.00 1414.36 1428.94 1432.71 1435.68 1436.52 1456.46 1476.88 1485.99 1511.65 1545.48 1550.08 1559.65 1564.94 1580.71 1587.71 1589.02 1596.24 1646.89 1674.47 1675.76 1679.55 1685.52 1704.23 1726.03 1743.59 1770.45 1801.10 1831.08 1846.52 1856.77 1860.04 1871.08 1879.12 1882.15 1914.22 1916.80 1932.02 1971.40 1993.00 1994.94 2041.33 2065.78 2079.15 2108.82 2126.52 2128.31 2134.26 2183.16 2205.86 2232.45 2244.75 2251.31 2258.04 2269.87 2293.64 2294.66 2307.84 2324.06 2331.01 2353.66 2354.37 2356.82 2358.64 2365.77 2367.09 2367.46 2376.64 2378.48 2380.49 2394.20 2401.61 2559.90 2563.84 2574.66 2582.31 2615.30 2795.11 4594.89 4599.07 4667.54 4671.94 4672.60 4674.64 4687.44 4698.60 4699.24 4703.15 4713.62 4761.94 4784.83 4790.10 4795.53 4796.77 4801.41 4820.30 4836.92 4840.42 4869.01 4884.29 4885.08 4901.12 5305.45 5910.71 0.506285 0.536382 0.537326 0.439999 -2201.534157 -2201.504059 -2201.503115 -2201.600442 3.264364D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1cc(cc(c1)[N-]S(=O)(=O)c2c(c3c(s2)C[NH+](CC3)Cc4cccc(c4)O)C(=O)OC)C C20599699 RHF 6-31G(d) (6D,10F) C1 486.128316 |X|Y|Z| 135.305926 49.157527 44.188500 66.487300 24 6 7 16 20 2 2 |36.858105| |12.590556|36.858105| |7.563499|13.730341|36.858105| |5.013605|7.904220|13.684178|36.858105| |4.451827|6.885960|7.958386|13.780251|36.858105| |5.007521|7.854890|6.801378|7.832659|13.595603|36.858105| |7.592692|13.712256|7.925294|6.848737|7.950635|13.634403|36.858105| |3.824683|5.113397|4.554351|5.205175|8.028423|13.745419|7.703737|53.358707| |3.432374|4.176572|3.591663|3.815459|5.038406|7.306781|5.967893|16.989353|388.023441| |3.821579|4.422034|3.598542|3.580905|4.377779|6.239124|6.261036|10.168816|94.129694|73.516695| |2.906546|3.371972|2.963492|3.129156|3.944140|5.146527|4.467523|10.530481|93.696400|13.862856|73.516695| |2.743852|3.259877|3.002672|3.294438|4.216506|5.084119|4.145711|9.717239|73.579210|12.949628|13.592197|36.858105| |2.611394|3.090970|2.936485|3.252473|4.035076|4.502000|3.739119|7.482836|45.658657|9.891718|8.817871|13.989092|36.858105| |2.179901|2.510912|2.430181|2.682575|3.201972|3.414331|2.922572|5.511506|32.559185|7.207668|7.189874|8.157875|13.175080|36.858105| |2.034560|2.318778|2.226638|2.442352|2.915935|3.151280|2.713735|5.254582|32.029366|6.841222|7.789661|7.713017|8.231763|14.152528|36.858105| |2.250890|2.583027|2.417005|2.633537|3.232812|3.692347|3.142603|6.692901|45.508640|8.727608|12.442401|11.049013|7.441267|7.431337|11.039164|388.023441| |1.755192|1.965524|1.906243|2.076793|2.411625|2.547335|2.243489|4.097552|24.043457|5.312820|6.110879|4.836594|5.069259|7.546117|12.740702|48.016589|36.858105| |1.660962|1.859115|1.834812|2.011438|2.297980|2.356186|2.079633|3.662995|20.558769|4.634372|5.040782|3.974454|4.514421|6.793654|7.832086|33.475602|12.682040|53.358707| |1.700961|1.923802|1.919479|2.135282|2.454905|2.474481|2.149417|3.849477|20.972281|4.633736|5.100440|4.037161|4.610641|6.706873|7.308020|33.045919|9.390751|25.686703|0.500000| |1.715705|1.913313|1.886683|2.052129|2.319770|2.379492|2.125611|3.618424|20.420958|4.767914|4.817293|3.973153|4.898800|7.627530|6.850930|30.101884|7.750807|17.227149|0.258529|36.858105| |1.968871|2.234944|2.206987|2.426581|2.785931|2.856017|2.507223|4.343469|24.354562|5.663718|5.455669|5.035765|7.218863|12.630432|7.645583|33.751722|6.352858|10.395648|0.205744|12.499334|36.858105| |1.469057|1.622763|1.606670|1.746161|1.958372|1.994860|1.789956|3.047291|16.930607|3.878189|4.232435|3.056398|3.332242|4.436053|5.010890|25.581144|7.580369|17.248308|0.258384|7.621529|4.975829|36.858105| |1.408756|1.556599|1.545782|1.685922|1.891886|1.918385|1.715578|2.943431|16.134875|3.639408|4.131578|2.819098|2.945651|3.701448|4.324993|24.210948|6.231756|10.368416|0.201498|4.964117|3.840930|12.629097|36.858105| |1.398156|1.553570|1.561050|1.720079|1.925213|1.917387|1.701190|2.919403|15.563502|3.478046|3.957795|2.669607|2.793470|3.402001|3.813871|22.177158|4.892322|8.145600|0.186195|4.248826|3.543476|7.594151|13.683936|36.858105| |1.332089|1.475131|1.484159|1.632795|1.819132|1.807905|1.609655|2.745521|14.503957|3.231942|3.747970|2.404046|2.448033|2.857012|3.210600|19.983962|3.912215|5.852980|0.130729|3.281034|2.878306|5.043912|7.951513|13.779526|36.858105| |1.281490|1.408511|1.405196|1.531134|1.703210|1.714081|1.540274|2.612623|13.989113|3.131451|3.686246|2.281908|2.274075|2.618833|3.006426|19.377378|3.689909|5.146211|0.108878|2.935786|2.578656|4.448646|6.867720|7.918945|13.750345|36.858105| |1.288628|1.409604|1.393013|1.505784|1.678524|1.713027|1.549431|2.626504|14.379150|3.243583|3.818909|2.369571|2.351071|2.744817|3.232389|20.645717|4.163458|5.584269|0.111586|3.141209|2.684699|5.031200|7.929733|6.855271|7.948343|13.747004|36.858105| |1.349194|1.478758|1.456994|1.574465|1.762198|1.807096|1.632118|2.780913|15.433494|3.497718|4.048531|2.627790|2.656827|3.224697|3.863483|23.156750|5.443397|7.497633|0.140965|3.968373|3.206118|7.599406|13.772114|7.918350|6.885501|7.926203|13.700064|36.858105| |1.231034|1.335753|1.312398|1.406235|1.559981|1.604292|1.466386|2.453087|13.535467|3.081102|3.641958|2.180215|2.130818|2.432789|2.853935|18.971858|3.546873|4.568555|0.089825|2.699733|2.350647|3.939971|5.289125|4.623501|5.224053|7.937547|14.187356|8.178486|73.516695| |2.878828|3.452735|3.336503|3.691701|4.448991|4.766989|4.046667|6.962239|37.951255|9.188538|7.088405|7.468286|12.834533|7.500438|5.152830|33.730157|3.773355|4.969907|0.104692|4.165894|6.162552|2.843937|2.517278|2.437372|2.155292|1.990679|2.031697|2.265861|3.291954|36.858105| |2.581554|3.030133|3.027721|3.354186|3.834064|3.856168|3.369635|5.408286|28.469708|6.969336|5.703871|5.272797|8.101436|6.661192|4.558827|27.753279|3.575398|5.027083|0.106576|4.440341|6.848680|2.903401|2.524132|2.462878|2.152955|1.964011|1.993331|2.234347|3.207534|15.870691|73.516695| |3.563119|4.405069|4.092702|4.389597|5.312002|6.094933|5.330523|8.155921|43.257453|11.475336|7.484593|6.700168|8.164365|5.205981|4.102001|29.873929|3.130580|4.039556|0.084651|3.267469|4.356716|2.407424|2.184403|2.126338|1.922406|1.798516|1.831601|2.007833|3.009958|14.675863|15.332875|73.516695| |3.887614|4.742731|4.579727|4.707401|5.077222|5.312504|5.109313|6.299839|31.296788|8.563884|5.872970|4.474927|5.203025|3.913183|3.193060|22.768431|2.587203|3.440420|0.072214|2.801354|3.595693|2.114964|1.928475|1.896236|1.727452|1.614564|1.633161|1.775308|2.695005|8.161381|12.731913|23.865583|36.858105| |3.783118|5.018044|7.561930|12.594754|7.576806|4.992087|4.436715|5.310839|21.561292|5.034866|4.617812|2.785534|2.821893|2.428682|2.216927|16.501072|1.929982|2.597322|0.056753|1.941529|2.266703|1.677259|1.628654|1.684570|1.606549|1.494976|1.454609|1.512514|2.406057|3.182205|5.404121|6.303291|3.848531|36.858105| |17.524347|8.841806|6.143738|4.406933|4.003235|4.500137|6.445820|4.874715|22.957621|6.252895|5.044026|2.553816|2.391222|2.025066|1.921176|15.276639|1.672497|2.143987|0.044789|1.610413|1.825060|1.402847|1.356015|1.347263|1.292717|1.250097|1.256063|1.306905|2.143363|2.563299|4.097175|5.477915|3.241183|3.449026|0.500000| |17.559125|8.823825|5.700094|4.216308|3.977978|4.675912|7.034839|5.099737|25.294641|7.467698|5.318831|2.834792|2.694099|2.238743|2.086318|16.442614|1.793644|2.297703|0.047636|1.755970|2.015552|1.490713|1.420693|1.398639|1.327192|1.280729|1.296553|1.364072|2.207159|2.970134|4.697887|6.616023|4.037490|3.263794|0.302464|0.500000| |17.556410|8.818371|7.188245|4.723497|3.974681|4.167939|5.612866|4.441954|20.907294|5.736693|4.482399|2.457840|2.392142|2.027990|1.882825|14.516155|1.640856|2.137989|0.044722|1.630719|1.865055|1.397624|1.338586|1.332779|1.269869|1.218584|1.222164|1.278831|2.074003|2.672748|4.366863|5.772347|3.680197|3.782350|0.301955|0.301155|0.500000| |7.009618|8.903862|17.677186|8.889499|5.651167|4.911614|5.636036|4.929393|21.282224|5.396044|4.520575|2.580113|2.555499|2.166776|1.991716|15.149380|1.732087|2.289059|0.048759|1.733947|2.005379|1.488557|1.433635|1.450696|1.383398|1.310900|1.297430|1.353267|2.178345|2.899119|4.808193|6.140337|3.955957|7.014688|0.162626|0.145391|0.218637|0.500000| |3.557769|4.958330|5.644628|8.904535|17.709487|8.957436|5.665486|10.202604|34.125309|7.048974|6.924517|4.361079|4.233693|3.431021|3.130700|24.319750|2.589890|3.386064|0.075175|2.476373|2.982994|2.105854|2.047719|2.109935|1.992340|1.845778|1.802090|1.889191|2.949529|4.521897|7.049078|8.829536|4.559452|6.998535|0.091092|0.090553|0.090402|0.123970|0.500000| |7.068296|8.925020|5.647230|4.942978|5.651438|8.911779|17.763408|9.489915|46.001315|13.739469|8.723648|4.202218|3.670751|2.883814|2.720389|22.917966|2.249877|2.797277|0.058300|2.099835|2.450160|1.774037|1.697947|1.666247|1.577440|1.522672|1.545152|1.630038|2.617912|3.838760|5.641081|8.861186|4.605190|3.550085|0.176425|0.209131|0.142491|0.124138|0.124537|0.500000| |1.676146|1.850615|1.780814|1.911264|2.189995|2.334237|2.101084|3.703449|22.143949|5.064509|5.686846|4.258785|4.399860|6.086135|8.784674|41.012429|17.575880|12.429391|0.182695|6.985679|5.441695|7.100072|5.655482|4.259706|3.502875|3.435393|4.043269|5.395566|6.370527|3.400535|5.754333|5.130431|2.417948|1.772980|0.044459|0.047930|0.043588|0.045207|0.064252|0.059223|0.500000| |1.696314|1.899888|1.848552|2.021527|2.349916|2.469566|2.166261|3.998160|23.040969|4.989015|6.077213|4.382797|4.326729|5.731295|8.868434|45.605519|17.650409|12.356006|0.227723|5.637397|4.871768|6.996392|7.098846|5.574083|4.586224|4.423596|5.061032|6.545571|7.456638|3.309266|5.542703|5.036463|2.370317|1.888912|0.045270|0.047843|0.044003|0.046707|0.070637|0.060248|0.301604|0.500000| |1.675819|1.846696|1.800160|1.929494|2.168063|2.259760|2.053182|3.432854|19.868431|4.746127|4.738926|3.800567|4.527359|6.610293|6.346778|29.310076|7.360644|12.455029|0.182520|17.613166|8.762219|6.820263|4.536406|3.736274|2.981023|2.763276|3.041660|3.869671|4.768371|3.849395|7.110752|5.523932|2.671723|1.811267|0.043779|0.048039|0.044185|0.046073|0.063299|0.057082|0.219539|0.147089|0.500000| |1.609911|1.786097|1.779505|1.934653|2.152464|2.171850|1.954106|3.235874|17.852294|4.206040|4.210238|3.307989|4.007155|5.556545|4.996710|24.474087|5.642935|12.340119|0.215923|17.625905|8.794547|7.364109|4.792299|4.251920|3.252465|2.859424|3.007307|3.751089|4.576208|3.642594|7.166375|5.196275|2.593334|1.859306|0.041996|0.045586|0.042856|0.045836|0.063866|0.053305|0.145955|0.126718|0.300964|0.500000| |1.970741|2.259114|2.277076|2.549005|2.914487|2.889517|2.503319|4.314295|23.050231|5.288855|5.125205|4.544034|6.346432|8.890143|6.051658|29.672427|5.231409|8.945194|0.202956|8.829867|17.572260|4.589209|3.699108|3.602580|2.929633|2.562057|2.594660|3.032435|4.004988|6.011126|12.897106|7.602336|3.645108|2.427107|0.050649|0.055401|0.052199|0.057605|0.088417|0.066708|0.122436|0.120670|0.173386|0.220115|0.500000| |1.997917|2.244275|2.205559|2.386125|2.690818|2.773708|2.492511|4.108988|23.220118|5.645451|5.114496|4.579136|6.547501|8.865358|5.839768|29.177943|4.948692|7.617989|0.146706|8.959589|17.628505|4.128547|3.244086|2.995238|2.494323|2.269848|2.371107|2.793399|3.762659|6.403078|13.691349|8.075815|3.849255|2.220842|0.051062|0.057316|0.052846|0.055985|0.078267|0.067985|0.127721|0.109350|0.219341|0.206124|0.307041|0.500000| |1.423872|1.570357|1.567173|1.704544|1.891932|1.903778|1.714268|2.860861|15.653825|3.621146|3.853890|2.780951|3.093467|4.022621|4.221428|22.176812|5.593250|12.449995|0.220957|7.317438|4.830163|17.621253|8.880284|7.000418|4.692887|3.987527|4.259135|5.777729|6.059516|2.741013|5.110779|4.121797|2.072463|1.654435|0.037673|0.040047|0.037864|0.040552|0.056528|0.046917|0.146163|0.142837|0.173990|0.237370|0.129584|0.114069|0.500000| |1.430218|1.565903|1.538071|1.653492|1.845442|1.900736|1.726870|2.896695|16.371642|3.812005|4.119459|2.924361|3.152351|4.123171|4.693937|24.612629|7.047694|12.411705|0.181785|6.927464|4.541862|17.633050|8.818789|5.595498|4.188802|3.971217|4.746150|7.242999|7.012499|2.697714|4.861309|4.106547|2.034068|1.578603|0.037983|0.040554|0.037780|0.039666|0.054458|0.047967|0.218650|0.174437|0.202906|0.181333|0.111886|0.109801|0.301798|0.500000| |1.428626|1.594839|1.616081|1.793018|2.001248|1.967494|1.737591|2.967510|15.601815|3.492499|3.890524|2.689396|2.884610|3.519911|3.765790|21.527830|4.582641|8.200372|0.203205|4.495061|3.811443|7.008361|8.850597|17.692611|8.931932|5.640462|4.941234|5.627348|6.517027|2.562965|4.690453|3.934784|1.986359|1.771404|0.038068|0.039588|0.037967|0.041763|0.061342|0.046905|0.109149|0.136389|0.105402|0.129985|0.112111|0.088777|0.204467|0.141130|0.500000| |1.311953|1.455092|1.475661|1.630967|1.806986|1.774394|1.577461|2.669841|13.866706|3.087778|3.561741|2.260871|2.304407|2.631979|2.883891|18.314587|3.349867|5.010621|0.114242|2.937887|2.659246|4.106550|5.650490|8.934094|17.731565|8.946461|5.657929|4.959621|7.488398|2.063064|3.679401|3.295007|1.681099|1.622216|0.035411|0.036121|0.034846|0.038326|0.055258|0.042680|0.083261|0.106192|0.073755|0.081845|0.076704|0.064579|0.110789|0.096323|0.215735|0.500000| |1.230036|1.347473|1.346206|1.463651|1.619377|1.625908|1.467257|2.464327|13.100887|2.938140|3.470915|2.089302|2.062728|2.322286|2.633414|17.515466|3.110611|4.265965|0.090434|2.526319|2.271547|3.555307|4.948249|5.638232|8.908135|17.704394|8.905645|5.636152|12.693745|1.824674|3.191663|2.966671|1.508560|1.434451|0.033479|0.034057|0.032525|0.034993|0.048640|0.040289|0.081247|0.101680|0.066530|0.068540|0.062994|0.056247|0.090708|0.090385|0.124159|0.215775|0.500000| |1.340265|1.459945|1.427823|1.530185|1.709377|1.771212|1.614055|2.725628|15.387840|3.531061|4.054428|2.616960|2.633470|3.192069|3.854115|23.238661|5.479186|7.106007|0.126358|3.944922|3.154188|6.972133|8.855197|5.619039|4.959498|5.660010|8.972692|17.725091|13.435373|2.239604|3.907602|3.541899|1.758923|1.459928|0.036065|0.037852|0.035246|0.036853|0.050416|0.045124|0.166494|0.173585|0.112314|0.101981|0.080826|0.077647|0.146698|0.218909|0.123361|0.107655|0.124444|0.500000| |1.194986|1.295068|1.275549|1.366862|1.511213|1.548198|1.416840|2.357534|12.887969|2.929998|3.476826|2.042125|1.985979|2.231455|2.584199|17.535590|3.105708|4.024501|0.080680|2.422164|2.151139|3.379184|4.425287|4.154853|4.962513|7.722774|9.984912|6.058791|35.730907|1.740757|3.013498|2.851493|1.443917|1.320604|0.032617|0.033374|0.031488|0.033150|0.044666|0.039457|0.085915|0.101124|0.066387|0.064551|0.057852|0.054064|0.083361|0.092561|0.093709|0.116280|0.227464|0.153136|0.500000| |3.412088|3.890159|3.747968|3.762114|3.943528|4.117371|4.083725|5.114634|26.726195|7.488991|5.229661|3.970021|4.724994|3.757449|3.048303|21.089252|2.515243|3.385300|0.070083|2.827586|3.606517|2.097005|1.888295|1.842297|1.669539|1.562753|1.589525|1.738148|2.627718|7.192933|12.682233|16.466333|17.626318|3.237963|0.080159|0.100558|0.091690|0.093967|0.101315|0.107049|0.066263|0.063341|0.075885|0.073342|0.100118|0.111984|0.057477|0.056510|0.053630|0.044981|0.040483|0.048123|0.039002|0.500000| |3.654080|4.563491|4.818838|5.288413|5.509125|5.141125|4.696676|5.974036|27.912053|7.147567|5.401520|4.056740|4.753966|3.730165|3.048998|21.364735|2.509097|3.405752|0.072718|2.753570|3.531122|2.102392|1.928294|1.923635|1.754400|1.624760|1.626542|1.760164|2.668662|7.221968|12.660425|16.460401|17.651766|4.508007|0.085582|0.100991|0.098459|0.116762|0.141212|0.112931|0.064398|0.064411|0.071569|0.071908|0.103684|0.103035|0.057757|0.055537|0.056553|0.047812|0.042227|0.048004|0.039838|0.299321|0.500000| |4.931093|6.095714|5.506657|5.187126|5.367468|5.906707|6.362856|6.486833|31.770462|9.127001|5.943518|4.111856|4.408325|3.374154|2.874781|21.313704|2.358731|3.091947|0.064670|2.466618|3.054151|1.929179|1.782147|1.753166|1.615877|1.523319|1.541064|1.660356|2.563974|5.986795|9.166182|16.991664|17.718097|4.000281|0.108871|0.144841|0.127479|0.129316|0.125195|0.156921|0.061737|0.060848|0.066088|0.063536|0.085158|0.089427|0.052269|0.051821|0.050607|0.043774|0.039794|0.045805|0.038315|0.297580|0.299168|0.500000| |3.730266|4.681012|7.029544|8.820285|5.692170|4.193150|3.962923|4.547695|19.312346|4.644266|4.150319|2.530784|2.604826|2.264565|2.054421|15.073255|1.803348|2.446492|0.053118|1.850092|2.152330|1.590400|1.535187|1.583045|1.506022|1.402585|1.368263|1.425904|2.267922|2.990905|5.194852|5.928093|3.789627|17.546584|0.093051|0.089633|0.108379|0.208884|0.144598|0.090291|0.046376|0.048746|0.048150|0.049588|0.063971|0.059369|0.043843|0.041754|0.046321|0.042214|0.037383|0.038353|0.034554|0.090605|0.124647|0.109938|0.500000| |3.231167|4.184358|5.610687|8.822529|7.179222|4.710210|3.966325|5.311101|21.598161|4.936772|4.638567|2.905753|2.999245|2.608516|2.363151|17.285201|2.058110|2.801545|0.061958|2.088766|2.454687|1.800196|1.748509|1.825225|1.733991|1.596914|1.543899|1.608001|2.533125|3.382036|5.842115|6.454308|3.852973|17.561421|0.082288|0.080101|0.088728|0.142123|0.216811|0.090342|0.052002|0.055979|0.053478|0.055757|0.074376|0.066118|0.049515|0.046649|0.053795|0.048848|0.042429|0.042837|0.038585|0.090407|0.128954|0.106082|0.301339|0.500000| 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