Version2.4 2021-06-10T14:11:06Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)OC)C5CCCCC5 C13498652 RHF 6-31G(d) (6D,7F) CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)OC)C5CCCCC5 C01[X(C27H39N6O3)] 219 C1 618 COc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+]([C@@H](c1nnnn1C[C@@H]1CCCO1)C(C)C)C1CCCCC1 COc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+]([C@@H](c1nnnn1C[C@@H]1CCCO1)C(C)C)C1CCCCC1 COc1ccc2NC(=O)C(=Cc2c1)C[NH+](C3CCCCC3)[C@H](C(C)C)c4nnnn4C[C@@H]5CCCO5 InChIKey=RQTCLMFCGAHDCE-UKILVPOCSA-O InChI=1S/C27H38N6O3/c1-18(2)25(26-29-30-31-33(26)17-23-10-7-13-36-23)32(21-8-5-4-6-9-21)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25H,4-10,13,16-17H2,1-3H3,(H,28,34)/p+1/t23-,25+/m0/s1 InChI=1/C27H38N6O3/c1-18(2)25(26-29-30-31-33(26)17-23-10-7-13-36-23)32(21-8-5-4-6-9-21)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25H,4-10,13,16-17H2,1-3H3,(H,28,34)/p+1/t23-,25+/m0/s1/fC27H39N6O3/h28,32H/q+1 CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)OC)C5CCCCC5 C01[X(C27H39N6O3)] 219 C01 618 COc1ccc2c(c1)cc(c(=O)[nH]2)C[NH+]([C@@H](c1nnnn1C[C@@H]1CCCO1)C(C)C)C1CCCCC1 CO[C]1[CH][CH][C]2[C]([CH]1)[CH]=C(C(=O)N2)C[NH]([C@@H]([C]1[N][N][N][N]1C[C@@H]1CCCO1)C(C)C)C1CCCCC1 CO[C]1[CH][CH][C]2NC(=O)C(=C[C]2[CH]1)C[NH](C3CCCCC3)[C@@H]([C]4[N][N][N]N4C[C@@H]5CCCO5)C(C)C InChIKey=BALFHIMPKRVYQM-UKILVPOCSA-N InChI=1S/C27H39N6O3/c1-18(2)25(26-29-30-31-33(26)17-23-10-7-13-36-23)32(21-8-5-4-6-9-21)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25,32H,4-10,13,16-17H2,1-3H3,(H,28,34)/t23-,25+/m0/s1 InChI=1/C27H39N6O3/c1-18(2)25(26-29-30-31-33(26)17-23-10-7-13-36-23)32(21-8-5-4-6-9-21)16-20-14-19-15-22(35-3)11-12-24(19)28-27(20)34/h11-12,14-15,18,21,23,25,32H,4-10,13,16-17H2,1-3H3,(H,28,34)/t23-,25+/m0/s1/f/h28H 4131.2825075010 -1596.196944 1-A 22035.4677 133 485 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67424 -20.67174 -20.62819 -15.81547 -15.77913 -15.74784 -15.73168 -15.71430 -15.69416 -11.46244 -11.43518 -11.43410 -11.40688 -11.40464 -11.39584 -11.39483 -11.39216 -11.39209 -11.38849 -11.37630 -11.37041 -11.36575 -11.35722 -11.35358 -11.34917 -11.34110 -11.34082 -11.33944 -11.33828 -11.33588 -11.32962 -11.32726 -11.32367 -11.32051 -11.31861 -11.31644 -1.61485 -1.50230 -1.50133 -1.49892 -1.45059 -1.37993 -1.37560 -1.31312 -1.25851 -1.24263 -1.23266 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1896.72 1921.38 1944.09 1972.07 1987.54 1990.50 2004.86 2012.54 2018.28 2025.72 2032.51 2045.42 2061.31 2067.08 2091.43 2098.63 2109.03 2116.12 2128.19 2136.85 2156.01 2162.30 2172.55 2177.73 2179.36 2195.60 2201.77 2203.51 2210.35 2219.18 2236.05 2241.44 2257.97 2268.02 2273.93 2280.31 2291.77 2294.32 2312.41 2338.31 2339.46 2343.26 2347.54 2352.34 2352.67 2354.39 2357.11 2363.42 2366.91 2370.42 2374.42 2376.50 2384.50 2388.35 2392.46 2394.39 2406.27 2419.85 2428.44 2501.59 2562.32 2605.65 2654.31 2760.76 4587.85 4597.61 4602.20 4620.63 4622.23 4626.05 4639.24 4642.06 4654.05 4655.96 4661.87 4664.12 4669.99 4684.45 4689.72 4691.37 4697.14 4709.86 4722.52 4724.92 4729.87 4738.89 4740.04 4751.91 4753.60 4760.36 4779.44 4812.95 4815.73 4817.26 4826.82 4843.14 4856.15 4860.09 4877.90 4917.83 4931.79 5389.47 5524.59 0.703185 0.735141 0.736085 0.636640 -1595.493759 -1595.461803 -1595.460859 -1595.560304 3.335402D-04 MUNgauss RevisionA2.1 retrievium 10-Jun-2021 DUDE CC(C)[C@H](c1nnnn1C[C@@H]2CCCO2)[NH+](Cc3cc4cc(ccc4[nH]c3=O)OC)C5CCCCC5 C13498652 RHF 6-31G(d) (6D,10F) C1 495.308364 |X|Y|Z| 128.423443 59.118286 45.253761 70.039054 30 6 7 8 23 6 1 |36.858105| |12.397177|36.858105| |7.610390|12.412301|36.858105| |7.454366|12.231044|7.439623|36.858105| |7.099367|8.877982|6.644042|17.722394|0.500000| |4.899816|7.500301|6.523013|12.659850|0.250703|36.858105| |4.163020|6.153343|5.592664|7.692247|0.159543|14.724953|53.358707| |3.317385|4.491153|4.531032|5.346039|0.126114|9.051136|19.464878|53.358707| |3.234991|4.250226|4.437761|5.276330|0.134663|8.893741|12.208526|20.737730|53.358707| |3.923283|5.293863|5.343741|7.468935|0.198655|14.228929|12.169803|12.418426|19.500193|53.358707| |3.554620|4.338268|4.494125|5.765249|0.182292|7.341672|7.235137|7.507782|10.834363|17.700180|36.858105| |3.737676|4.369195|4.957218|5.151966|0.171583|5.646703|5.854705|5.858174|7.518743|10.286587|12.532257|36.858105| |3.698105|4.453212|5.573533|4.858234|0.149829|5.536452|6.047950|6.188717|7.831920|9.781326|8.898609|17.543095|0.500000| |2.994292|3.282723|3.632127|3.720332|0.121085|3.939284|4.409175|4.523654|5.611656|6.730837|7.493338|12.473691|0.245063|36.858105| |3.100139|3.219993|3.605211|3.448368|0.113491|3.403887|3.861677|3.825368|4.477746|5.319313|5.120484|8.049326|0.189088|12.467455|36.858105| |3.972674|3.978787|4.314183|4.277398|0.150846|3.899756|4.254607|4.020680|4.600735|5.771332|5.347403|8.127381|0.181125|8.014390|12.465258|36.858105| |4.701381|5.167655|5.609330|5.997180|0.228160|5.497450|5.546994|5.131005|6.026266|8.329644|7.949242|13.478143|0.258280|8.157815|8.078415|13.368817|73.516695| |6.251221|7.558036|4.897161|12.480656|0.252409|7.567097|8.294088|6.022524|5.712110|7.173753|4.364289|3.811172|0.098651|3.015913|2.826105|3.419420|7.681004|53.358707| |7.705311|7.734854|4.813181|9.490959|0.220307|5.764442|6.610501|5.021157|4.794352|5.868710|3.760015|3.479851|0.090819|2.818480|2.732146|3.363106|7.271230|25.814678|0.500000| |4.840753|5.965114|4.214435|7.382365|0.153193|6.336914|8.773304|6.230986|5.428752|6.131553|3.594628|3.123041|0.083881|2.541205|2.367807|2.736733|5.932094|16.953452|0.261528|36.858105| |4.264042|4.585167|3.401009|4.980914|0.115431|4.246039|5.876522|4.619039|4.130699|4.537323|2.837812|2.556846|0.068778|2.161172|2.060259|2.369385|4.909211|10.255920|0.212971|12.649824|36.858105| |4.361514|4.436327|3.341970|4.290972|0.101304|3.634734|5.079138|4.071147|3.645093|3.959284|2.511856|2.341176|0.063975|1.996126|1.939207|2.227762|4.529702|7.687360|0.175648|7.638373|14.187274|36.858105| |3.466828|3.377937|2.706199|3.268456|0.080876|2.854960|3.976429|3.341006|3.040234|3.253383|2.123282|2.001075|0.054650|1.748082|1.712827|1.944986|3.851840|5.544432|0.125489|4.963801|7.795063|13.191993|36.858105| |3.212374|3.051780|2.530791|2.833999|0.071210|2.498684|3.483811|2.980439|2.727270|2.896804|1.911116|1.836183|0.050625|1.618616|1.604603|1.811824|3.534757|4.514804|0.102392|3.823710|5.123117|7.653276|13.663256|36.858105| |2.645246|2.507327|2.143043|2.369023|0.060733|2.127243|2.957394|2.590744|2.394886|2.523650|1.690117|1.628593|0.044822|1.457603|1.448756|1.619682|3.115357|3.712031|0.082764|3.062675|3.924980|5.084338|7.905552|13.815218|36.858105| |2.387111|2.286662|1.960580|2.230625|0.057665|2.023156|2.804804|2.481539|2.306433|2.424230|1.634402|1.560289|0.042626|1.406652|1.390376|1.547181|2.968746|3.547034|0.077943|2.925862|3.784577|4.525354|6.886028|7.963864|13.622789|36.858105| |2.481688|2.410033|2.035684|2.419529|0.062323|2.194419|3.037403|2.673671|2.482430|2.617189|1.758306|1.655223|0.044882|1.487109|1.457158|1.625384|3.144343|3.974536|0.086556|3.341353|4.536107|5.142266|7.928219|6.870617|7.885724|13.812703|36.858105| |2.933842|2.883471|2.360754|2.924224|0.073872|2.611640|3.619350|3.110735|2.860619|3.043071|2.012824|1.875899|0.050747|1.660355|1.617043|1.821027|3.579849|5.017670|0.109947|4.416105|6.775375|7.850065|13.661216|7.889893|6.818503|7.942644|13.724884|36.858105| |2.916721|2.941623|2.393056|3.143056|0.079408|2.837003|3.912115|3.362205|3.100382|3.307473|2.182954|1.991546|0.053302|1.759383|1.691343|1.903145|3.776663|5.632688|0.118801|5.066092|7.953039|6.982732|7.962076|5.189631|4.557619|5.179542|7.856897|13.741163|53.358707| |2.568163|2.589051|2.154058|2.793506|0.071854|2.570109|3.534695|3.107528|2.894675|3.064757|2.050546|1.866724|0.049791|1.669647|1.601759|1.786713|3.513658|4.868134|0.100991|4.198968|5.792129|5.112955|5.781476|4.257720|3.999547|4.769760|7.258434|9.217924|25.970327|0.500000| |3.327992|3.481649|2.749908|3.910041|0.096348|3.509349|4.820702|4.027577|3.684371|3.980858|2.572638|2.294975|0.061019|1.991500|1.889609|2.141934|4.348465|7.596599|0.152682|7.465334|12.908781|7.806177|6.672224|4.483261|3.751691|3.935054|5.150181|7.797323|19.114692|0.265450|36.858105| |3.047011|3.246710|2.623597|3.837212|0.096511|3.575098|4.858251|4.159221|3.860872|4.159778|2.711795|2.360140|0.061995|2.060783|1.926324|2.165527|4.409358|7.347461|0.138141|6.679397|8.067640|5.367820|4.688087|3.490778|3.048230|3.227072|4.083589|5.389246|11.568440|0.219226|15.759752|73.516695| |2.439240|2.295178|2.009952|2.132115|0.055118|1.928739|2.680669|2.374928|2.205219|2.313212|1.559599|1.520442|0.042104|1.369631|1.371073|1.524280|2.903662|3.236944|0.071883|2.611439|3.166999|3.966404|5.284558|8.232462|14.183670|7.846453|5.190243|4.607020|4.697311|0.086745|2.988606|4.479852|73.516695| |2.079348|1.965873|1.751203|1.851482|0.048392|1.695716|2.352707|2.115837|1.978396|2.063867|1.404939|1.371101|0.037918|1.248431|1.250656|1.378803|2.603313|2.786163|0.061137|2.221102|2.633472|3.128576|3.976289|5.264536|7.993618|6.691357|4.508753|3.782303|4.048776|0.077544|2.569085|3.956287|24.106142|36.858105| |4.554394|4.907577|3.710677|7.300694|0.200437|5.692742|6.322975|5.147018|5.155773|6.399684|4.294450|3.635632|0.090229|3.015003|2.792878|3.347403|7.247152|16.898115|0.263346|7.474458|5.922240|4.433857|3.542951|2.896885|2.481991|2.456730|2.807174|3.458487|5.569684|0.102917|5.497459|10.751358|3.846535|1.903705|36.858105| |3.549572|4.023978|3.317130|5.890170|0.162395|5.784895|6.579776|5.733300|5.931611|7.184993|4.854847|3.751688|0.091972|3.153053|2.779930|3.176054|6.908373|10.069491|0.157328|5.966268|4.636590|3.560848|2.950771|2.463338|2.159153|2.162581|2.464059|2.950849|4.796383|0.092244|4.616156|9.904524|3.385582|1.702293|12.481475|36.858105| |2.898285|3.103793|2.660143|4.092043|0.117939|3.983095|4.762672|4.391364|4.601106|5.280878|3.877768|3.150962|0.077079|2.829079|2.528581|2.828412|5.786331|6.657156|0.117629|4.235624|3.732394|2.991182|2.618227|2.215803|1.994761|2.038960|2.333766|2.713360|4.442553|0.089235|4.029875|8.919112|3.139897|1.603961|7.648068|12.401911|36.858105| |2.903126|2.974188|2.584833|3.809806|0.117136|3.531381|4.112002|3.805189|4.074321|4.783511|3.759876|3.221553|0.077086|2.992781|2.740281|3.117116|6.135493|5.889299|0.110593|3.544825|3.217494|2.699498|2.403610|2.078842|1.886902|1.919302|2.161364|2.466157|3.897854|0.078209|3.373603|6.939748|3.003106|1.541626|6.509510|7.498771|12.448263|36.858105| |3.402562|3.305509|2.777973|4.155654|0.130501|3.535006|4.069739|3.637000|3.816859|4.561495|3.507120|3.172019|0.076612|2.893444|2.771087|3.304133|6.425832|6.704065|0.134465|3.806639|3.567460|3.028183|2.691261|2.320175|2.089569|2.112153|2.375232|2.733439|4.263249|0.083956|3.662980|7.173656|3.310050|1.685356|7.619527|6.419041|7.534519|12.446823|36.858105| |4.636161|4.501637|3.557834|6.097472|0.201816|4.622637|5.039709|4.297070|4.481026|5.632120|4.185072|3.792422|0.091268|3.246744|3.116732|3.908442|8.101194|10.259245|0.207196|4.918652|4.331952|3.624365|3.056686|2.609386|2.280927|2.250403|2.512802|2.976571|4.572445|0.086432|4.086302|7.656275|3.601896|1.800551|12.447643|7.515766|6.448568|7.525536|12.406222|36.858105| |17.588266|8.835465|7.112699|5.456620|0.143751|4.072244|4.972997|4.080173|3.942737|4.597872|3.080857|3.299420|0.093317|2.715221|2.856813|3.544664|7.121369|6.442615|0.154651|4.052243|3.729165|4.011603|3.306724|3.201868|2.648561|2.344720|2.381422|2.761497|3.637736|0.065675|2.958083|4.777859|4.442218|2.123351|3.639779|2.968559|2.491598|2.494078|2.870254|3.686134|0.500000| |17.515521|8.586619|5.470323|6.605264|0.172054|4.410906|5.241612|4.180924|4.032802|4.807947|3.210340|3.253782|0.087776|2.682821|2.749146|3.456183|7.082076|9.281642|0.272055|5.302714|5.021129|5.259663|4.118831|3.739629|3.016065|2.711940|2.840769|3.422763|4.587285|0.081049|3.834816|6.061070|4.846164|2.292179|4.984074|3.674220|3.032653|3.030368|3.668062|5.031098|0.305378|0.500000| |17.554053|8.756124|6.827465|6.808088|0.212798|4.605932|5.132381|4.247341|4.300701|5.327676|3.759643|4.135801|0.110626|3.337387|3.577384|4.883064|10.009470|7.541855|0.181232|4.132105|3.651255|3.620539|2.996402|2.785983|2.362769|2.170620|2.262009|2.626781|3.605515|0.066010|3.002592|5.024437|3.901134|1.904927|4.463016|3.522426|2.936095|3.050347|3.627823|4.977046|0.302250|0.300993|0.500000| |8.854343|17.568265|8.973265|8.827684|0.175081|6.693289|8.797841|6.200871|5.500648|6.373110|3.733056|3.632126|0.104249|2.829134|2.745810|3.252000|7.189041|9.640592|0.199880|6.797131|5.222433|5.260477|3.828910|3.447913|2.760324|2.479409|2.605200|3.161470|4.321484|0.076407|3.759764|6.051419|4.464347|2.119862|4.529124|3.781135|2.935637|2.739204|3.004369|3.934330|0.212193|0.209671|0.173034|0.500000| |6.855204|8.762658|17.602161|6.765286|0.195416|5.937676|6.518377|5.613513|5.881753|7.362050|4.997882|6.169524|0.195346|4.362163|4.480592|5.596799|13.412144|6.100920|0.122605|3.696417|3.038245|2.945734|2.443288|2.288221|1.970086|1.821951|1.894568|2.173798|3.021878|0.056151|2.536516|4.373349|3.296161|1.633235|3.620341|3.273874|2.671116|2.665197|2.863940|3.654437|0.173708|0.138656|0.201318|0.174290|0.500000| |5.501353|8.718186|17.605771|6.696610|0.159873|7.260717|9.213357|7.644065|7.273456|8.268740|4.742202|4.999354|0.164741|3.627510|3.437412|3.879272|9.003508|6.176371|0.118027|4.143005|3.272970|3.167232|2.573840|2.397203|2.043157|1.881832|1.960767|2.268699|3.156417|0.058299|2.676290|4.593571|3.405426|1.678474|3.503931|3.286794|2.620575|2.491757|2.599755|3.247982|0.144331|0.121714|0.139036|0.215549|0.300162|0.500000| |7.100522|8.871775|17.581957|5.457859|0.138645|4.837994|6.096268|5.127600|4.935719|5.609691|3.600367|3.995054|0.124572|3.130640|3.204612|3.751095|7.960495|5.563626|0.116024|3.689638|3.139759|3.212345|2.655650|2.552606|2.165146|1.953647|1.996009|2.288805|3.091193|0.056789|2.549977|4.264439|3.664719|1.791622|3.182253|2.836047|2.342058|2.290300|2.476949|3.088194|0.220299|0.144108|0.171802|0.216025|0.301708|0.303541|0.500000| |3.546619|4.145780|4.010092|5.777511|0.194206|6.552476|6.469673|6.372931|8.288431|12.405519|17.633403|8.918417|0.175339|6.631835|4.846459|5.338961|13.378825|6.383698|0.111525|3.711105|2.956296|2.572845|2.182435|1.945195|1.724621|1.681524|1.824535|2.093567|3.130957|0.060305|2.730440|5.204586|2.811041|1.426329|5.030615|5.922666|4.750506|4.734465|4.272847|5.074783|0.083930|0.091449|0.105714|0.099062|0.122596|0.112506|0.091006|0.500000| |2.974712|3.556900|3.737831|4.455258|0.133542|5.721444|6.371268|7.240509|10.999095|12.837746|17.654231|8.883790|0.205357|7.072400|4.625299|4.420060|10.222627|4.923325|0.087633|3.146185|2.540231|2.260373|1.940031|1.755716|1.567727|1.524003|1.637329|1.856389|2.741831|0.053074|2.348321|4.436663|2.581742|1.317494|3.625613|4.242551|3.566577|3.413408|3.085799|3.495450|0.073485|0.075767|0.086264|0.088382|0.112774|0.112287|0.086402|0.301964|0.500000| |2.816286|3.046021|3.213134|3.561760|0.116759|3.739209|4.191825|4.292397|5.300425|6.343232|7.225671|8.816686|0.174253|17.524872|8.806536|6.835304|12.177245|4.084836|0.077513|2.517961|2.154470|1.968329|1.732607|1.594037|1.441722|1.402688|1.492233|1.664150|2.422974|0.047233|2.018180|3.761158|2.397974|1.233435|3.129705|3.356482|3.100510|3.359511|3.151829|3.426316|0.070297|0.071748|0.086991|0.073679|0.103738|0.088717|0.077400|0.204249|0.196319|0.500000| |2.649433|2.930729|3.296704|3.248152|0.101168|3.555581|4.147578|4.404838|5.489133|6.118618|6.304188|8.724514|0.219587|17.601393|8.662887|5.703234|10.360377|3.643839|0.069415|2.327778|1.991607|1.849236|1.629889|1.517058|1.372524|1.325344|1.396798|1.550961|2.230799|0.043353|1.843749|3.392173|2.302243|1.184994|2.654848|2.814571|2.547882|2.639800|2.521854|2.781940|0.067968|0.066302|0.080140|0.071867|0.106937|0.094174|0.080415|0.148842|0.187975|0.301164|0.500000| |2.732608|2.773928|3.018493|2.966792|0.096376|2.908258|3.366839|3.345075|3.859627|4.470203|4.196392|5.721560|0.137619|8.680014|17.604124|8.723136|10.380885|3.440456|0.068412|2.140677|1.895114|1.787751|1.598797|1.502580|1.368192|1.319804|1.381905|1.521688|2.166138|0.042143|1.762414|3.204403|2.307413|1.191246|2.554064|2.551490|2.390718|2.638442|2.656673|2.886526|0.070525|0.068785|0.087125|0.066890|0.100464|0.080032|0.076172|0.115250|0.109191|0.217115|0.194407|0.500000| |3.010010|3.138579|3.671978|3.220504|0.102471|3.212301|3.733930|3.722888|4.297275|4.949215|4.474877|6.859879|0.189906|8.824816|17.567099|8.807494|11.785834|3.575163|0.070969|2.246121|1.963193|1.870956|1.656748|1.566317|1.415036|1.350341|1.405329|1.554124|2.192956|0.042301|1.788756|3.213999|2.396349|1.229970|2.531439|2.503399|2.263658|2.405031|2.445394|2.759215|0.079004|0.073287|0.095108|0.075032|0.127711|0.097972|0.092712|0.113121|0.114860|0.173962|0.217274|0.301931|0.500000| |3.765942|3.648748|3.712012|4.043827|0.144385|3.603296|3.953880|3.715158|4.208141|5.243274|4.837424|6.303561|0.138993|6.576039|8.749487|17.574909|16.575859|4.642926|0.094012|2.698722|2.371245|2.213722|1.948501|1.806129|1.622986|1.562223|1.649275|1.843769|2.639220|0.050833|2.177651|3.942068|2.704790|1.380627|3.500387|3.296842|3.023875|3.482401|3.752701|4.328663|0.092223|0.094554|0.129214|0.084079|0.126056|0.092995|0.090855|0.145495|0.112785|0.182075|0.134492|0.220319|0.174654|0.500000| |4.276697|4.072191|4.530234|4.062091|0.138403|3.594921|4.017968|3.744645|4.155587|5.079573|4.339544|6.133551|0.155467|5.784047|8.682332|17.612164|16.536146|4.448898|0.091822|2.647237|2.327869|2.233258|1.958080|1.846204|1.648885|1.561603|1.625444|1.814666|2.545837|0.048568|2.083610|3.687873|2.778293|1.410776|3.105574|2.863987|2.550984|2.783126|3.025259|3.598586|0.109095|0.101025|0.150790|0.092094|0.167045|0.108958|0.113513|0.118256|0.101906|0.138029|0.127802|0.190745|0.221552|0.301001|0.500000| |5.089734|6.891276|4.850522|7.422790|0.146945|6.788543|10.520690|6.946898|5.741393|6.308223|3.567315|3.160776|0.087480|2.538727|2.371842|2.719261|5.930418|12.286962|0.210782|17.747001|8.928178|7.203828|4.693326|3.808513|3.016679|2.803786|3.097615|3.978389|5.804898|0.099624|5.613115|8.869203|4.661919|2.215756|5.560912|4.770767|3.524186|3.042601|3.233003|4.114568|0.121934|0.146870|0.116211|0.251955|0.112061|0.135940|0.118345|0.098221|0.087073|0.068552|0.065221|0.059050|0.063475|0.072876|0.073942|0.500000| |3.921433|4.811720|3.712474|6.241254|0.137048|6.291354|9.189640|6.827244|5.866732|6.388516|3.696771|3.081669|0.082252|2.531546|2.306911|2.608756|5.647923|12.250013|0.184614|17.748508|8.906290|5.753237|4.208652|3.309582|2.753272|2.697955|3.113364|4.001078|6.549647|0.115857|7.188570|13.366918|4.204235|2.051345|7.204313|6.928208|4.743037|3.710557|3.758241|4.603896|0.093340|0.115379|0.097333|0.145829|0.092701|0.105119|0.090026|0.106693|0.091862|0.070488|0.064982|0.058188|0.060513|0.071693|0.068946|0.305047|0.500000| |5.055532|5.178443|3.832769|4.564960|0.105702|3.817452|5.374811|4.241376|3.767680|4.098122|2.573796|2.440616|0.067666|2.059081|2.014418|2.322514|4.745366|7.522651|0.174349|7.040985|9.067747|17.681864|8.807356|7.057330|4.678284|3.948800|4.178742|5.621561|6.815098|0.110194|5.559289|7.610690|6.915531|3.039321|4.093074|3.322983|2.758598|2.530051|2.830812|3.452357|0.133172|0.166612|0.110971|0.183239|0.091051|0.099701|0.104512|0.071974|0.063984|0.055678|0.053042|0.051197|0.054492|0.063211|0.065451|0.215092|0.144969|0.500000| |3.464088|3.260284|2.721810|2.905615|0.072673|2.550871|3.564219|3.036994|2.771974|2.945508|1.936467|1.882301|0.052363|1.651503|1.646986|1.862863|3.634937|4.475582|0.102114|3.728687|4.678942|6.967674|8.859041|17.730561|9.000794|5.665820|4.951878|5.616081|5.711132|0.097758|3.890533|5.557108|13.510003|4.871499|2.794467|2.378295|2.115417|1.999239|2.230094|2.545208|0.098978|0.110713|0.081948|0.103986|0.067575|0.071125|0.077796|0.054225|0.049279|0.044807|0.043038|0.042661|0.044967|0.051137|0.053209|0.107329|0.088524|0.211624|0.500000| |2.118652|2.029198|1.768853|1.984753|0.051805|1.817736|2.516394|2.255173|2.108638|2.205945|1.499809|1.436813|0.039267|1.306770|1.294268|1.430714|2.722799|3.105158|0.067670|2.519540|3.136040|3.607164|4.963024|5.653593|8.851314|17.769196|9.016828|5.669828|5.718619|0.113089|3.298149|4.998398|12.478565|7.426751|2.181971|1.949724|1.863575|1.766861|1.930223|2.026315|0.058098|0.065970|0.054182|0.060508|0.046003|0.047304|0.049084|0.042843|0.039071|0.036251|0.034317|0.034290|0.034964|0.040190|0.040120|0.067335|0.065508|0.089921|0.124370|0.500000| |2.238617|2.186712|1.869133|2.232214|0.058091|2.049562|2.829416|2.524068|2.359691|2.477544|1.678646|1.573879|0.042510|1.425941|1.393129|1.544264|2.972698|3.646034|0.078196|3.021171|3.942035|4.172064|5.635029|4.950998|5.626335|8.956258|17.719255|8.897937|9.704832|0.215995|4.729314|7.073865|7.445476|3.910472|2.655459|2.379160|2.307121|2.134767|2.318998|2.391884|0.059409|0.070334|0.057532|0.064823|0.048761|0.050264|0.050660|0.048608|0.043697|0.039972|0.037281|0.036881|0.037223|0.043730|0.042680|0.077143|0.080323|0.096258|0.107510|0.218422|0.500000| |1.947209|1.871770|1.673810|1.781014|0.046418|1.651019|2.309008|2.088408|1.946135|2.015459|1.368493|1.327217|0.036722|1.209877|1.204849|1.320809|2.500879|2.683976|0.058177|2.166894|2.565846|2.998939|3.797978|4.787621|7.038417|6.697662|4.581034|3.742214|4.046458|0.078546|2.545220|3.942602|16.419888|17.570186|1.843462|1.668287|1.576604|1.503202|1.626295|1.727384|0.054847|0.059209|0.049641|0.056222|0.043338|0.044956|0.047325|0.038564|0.035814|0.033260|0.032002|0.031889|0.032901|0.036714|0.037353|0.060013|0.056263|0.080002|0.120471|0.222011|0.113114|0.500000| |2.034507|1.904152|1.692609|1.809566|0.047702|1.648603|2.265891|2.041166|1.922364|2.015313|1.382410|1.350377|0.037153|1.235348|1.240822|1.370437|2.573602|2.736750|0.060296|2.150700|2.552723|2.978512|3.773409|4.750815|6.996427|6.687419|4.566044|3.723286|4.029001|0.078206|2.533849|3.927901|16.416775|17.568549|1.897429|1.691354|1.609935|1.559088|1.714088|1.813435|0.057344|0.062654|0.052273|0.056369|0.044196|0.044879|0.047877|0.039200|0.035991|0.034029|0.032498|0.032954|0.033787|0.038342|0.038925|0.058849|0.055304|0.079295|0.119488|0.223753|0.112928|0.298384|0.500000| |1.994694|1.881733|1.698236|1.755142|0.046018|1.613001|2.237829|2.022500|1.895029|1.972626|1.346519|1.323149|0.036745|1.208164|1.215319|1.335493|2.509727|2.599165|0.056933|2.052825|2.379179|2.805307|3.408588|4.426053|5.883353|4.888883|3.615804|3.179385|3.516774|0.067455|2.290922|3.570810|16.993360|17.666207|1.769294|1.589345|1.495685|1.444793|1.575552|1.686216|0.057248|0.060391|0.050908|0.056222|0.044056|0.045210|0.048669|0.037808|0.035133|0.033048|0.031933|0.032179|0.033346|0.037025|0.038121|0.057458|0.052712|0.077532|0.121492|0.145438|0.088998|0.300098|0.300163|0.500000| |4.064315|4.208272|3.224885|5.525694|0.146437|4.530499|5.449879|4.511465|4.403678|5.170458|3.472312|3.017139|0.076514|2.578021|2.422950|2.849178|5.928723|12.582829|0.232520|7.415521|6.994870|4.954001|4.034208|3.181014|2.730057|2.755255|3.244915|4.097722|6.987662|0.128240|7.286268|14.732110|4.144669|2.047751|17.685921|9.010247|7.111989|5.892518|7.064558|8.940696|0.093235|0.129053|0.108141|0.113373|0.086191|0.084955|0.079317|0.109563|0.084438|0.074219|0.064147|0.062445|0.061755|0.082888|0.074820|0.147096|0.198536|0.119508|0.082945|0.067381|0.085589|0.055204|0.056986|0.052273|0.500000| |3.302410|3.849450|3.197582|5.395292|0.137606|5.769717|7.231853|6.314911|6.189038|6.969000|4.383996|3.389181|0.085937|2.850399|2.507843|2.800505|6.053349|9.276426|0.143712|6.652809|5.007469|3.731622|3.069572|2.533813|2.215365|2.226919|2.558093|3.090621|5.118119|0.098383|5.078931|11.410017|3.454547|1.734904|8.792197|17.619507|8.865170|5.495929|4.830138|5.476892|0.078275|0.094937|0.088407|0.105028|0.085405|0.090288|0.076625|0.137973|0.110475|0.082829|0.072423|0.063912|0.063921|0.079060|0.071215|0.146052|0.251299|0.095660|0.067608|0.055608|0.068667|0.047602|0.047568|0.044873|0.215022|0.500000| |3.584139|4.181653|3.586012|6.353918|0.185355|6.813570|7.159880|6.466902|7.196885|9.375363|6.603653|4.639812|0.109907|3.789936|3.207071|3.641580|8.246600|8.985647|0.142058|5.160240|3.935949|3.172763|2.638776|2.258264|1.985037|1.966264|2.197435|2.588990|4.063495|0.078156|3.756064|7.626302|3.158148|1.592627|8.818907|17.588601|8.859366|6.782608|5.668513|6.815045|0.083262|0.098935|0.100998|0.105728|0.100665|0.099948|0.083317|0.244144|0.154542|0.113336|0.092647|0.080527|0.079073|0.103880|0.088582|0.123659|0.160622|0.085014|0.061525|0.049560|0.058767|0.043284|0.043838|0.041643|0.175069|0.302585|0.500000| |2.749282|2.897178|2.460600|3.674095|0.102812|3.518162|4.368075|3.991904|4.053371|4.526483|3.234537|2.715059|0.067893|2.450847|2.235374|2.495336|5.023094|6.253124|0.113843|4.231621|3.964992|3.137734|2.799293|2.335502|2.116786|2.200115|2.567879|2.991713|5.072363|0.104343|4.602239|10.857300|3.295572|1.687159|6.914870|8.868931|17.542302|8.823237|6.754402|5.649096|0.066346|0.081633|0.076152|0.077835|0.067696|0.067173|0.061121|0.105229|0.083408|0.073401|0.062028|0.059023|0.056359|0.073717|0.063790|0.096159|0.131917|0.078362|0.060971|0.055792|0.071400|0.046236|0.047217|0.043380|0.212069|0.217171|0.174311|0.500000| |2.567646|2.786961|2.464291|3.593257|0.102786|3.702587|4.538755|4.366778|4.643005|5.135767|3.825066|3.050608|0.074950|2.794860|2.448008|2.655413|5.391841|5.512750|0.097733|3.675583|3.231005|2.645110|2.341959|2.009681|1.825561|1.868111|2.121317|2.428200|3.926229|0.079791|3.475963|7.614236|2.897613|1.491162|5.554168|8.871446|17.570322|8.813195|5.491251|4.846137|0.062339|0.073358|0.072225|0.073757|0.068920|0.068603|0.060492|0.128478|0.101954|0.085992|0.071101|0.064644|0.061025|0.078088|0.066142|0.087937|0.116702|0.068485|0.053509|0.047810|0.058626|0.040930|0.041468|0.038775|0.144082|0.214667|0.216176|0.303868|0.500000| |2.519273|2.550612|2.254973|3.134272|0.094663|2.950821|3.537700|3.327992|3.539293|4.027547|3.164803|2.776724|0.067459|2.656174|2.460053|2.734903|5.219290|4.792034|0.092095|3.024291|2.837629|2.425586|2.213842|1.932974|1.781186|1.830466|2.059430|2.305943|3.632093|0.074382|3.046668|6.259931|2.845896|1.475675|4.886796|5.478675|8.831579|17.565762|8.837569|5.490796|0.061320|0.073213|0.073283|0.066123|0.064481|0.060624|0.056365|0.106700|0.082119|0.082904|0.066160|0.066979|0.060453|0.084848|0.068598|0.073171|0.088026|0.062948|0.051397|0.047246|0.057235|0.040080|0.041658|0.038420|0.131760|0.123557|0.139326|0.214570|0.211160|0.500000| |2.891300|2.995702|2.673999|3.859449|0.122877|3.663468|4.173988|3.938503|4.356318|5.201318|4.354456|3.696044|0.085884|3.505102|3.139048|3.540652|6.951426|5.549763|0.103415|3.299321|2.917747|2.491904|2.207223|1.936685|1.756476|1.768325|1.963252|2.226601|3.445777|0.068617|2.959776|5.938491|2.824800|1.451660|5.663976|6.736809|8.839088|17.496416|8.851522|6.765156|0.069111|0.081574|0.085963|0.075353|0.078138|0.071860|0.065253|0.160474|0.109739|0.113369|0.084482|0.084193|0.074855|0.111652|0.085175|0.080866|0.095591|0.066184|0.052352|0.045364|0.053575|0.039283|0.040635|0.038041|0.134302|0.139112|0.198767|0.173407|0.214984|0.303797|0.500000| |3.195683|3.066579|2.556728|3.718942|0.111235|3.179479|3.786586|3.371568|3.458695|4.022977|2.996956|2.728075|0.067523|2.494133|2.407529|2.824389|5.447918|6.286396|0.129784|3.778911|3.754760|3.180227|2.892460|2.464856|2.237154|2.297631|2.625595|3.018464|4.793465|0.095711|4.048548|7.965507|3.504903|1.788005|6.883251|5.630232|6.763274|8.840126|17.524901|8.838708|0.076020|0.098485|0.092144|0.079518|0.071893|0.066646|0.064343|0.097715|0.074523|0.074317|0.061497|0.064348|0.060116|0.087201|0.073516|0.087989|0.103279|0.080571|0.064737|0.058254|0.071861|0.047951|0.050867|0.046067|0.210064|0.126395|0.131114|0.197810|0.138931|0.215280|0.173694|0.500000| |3.226327|3.045864|2.629402|3.668359|0.117680|3.134638|3.622766|3.283342|3.476384|4.129828|3.270595|3.083589|0.074234|2.902774|2.858622|3.429347|6.351523|5.560470|0.114872|3.218981|3.053411|2.689815|2.432932|2.146574|1.953506|1.966531|2.175329|2.453424|3.720832|0.073585|3.090153|5.882553|3.134447|1.606877|5.537549|4.828207|5.488441|8.801156|17.567548|8.859276|0.076752|0.095375|0.098311|0.076220|0.076638|0.067803|0.065854|0.109355|0.080489|0.088438|0.069868|0.077611|0.069507|0.112147|0.087459|0.078424|0.087241|0.070980|0.057759|0.050362|0.059069|0.042900|0.045588|0.041975|0.143261|0.106561|0.127123|0.138709|0.123135|0.211032|0.215135|0.303691|0.500000| |4.766659|4.737459|3.901638|6.600046|0.254575|5.046171|5.233468|4.533918|4.904516|6.446594|5.114339|4.715759|0.108561|3.961583|3.784514|4.966303|10.656178|9.087607|0.176608|4.405694|3.731252|3.214128|2.713366|2.371129|2.080365|2.032591|2.231342|2.604346|3.915733|0.074341|3.439198|6.405631|3.335927|1.674307|8.766022|6.791001|5.682385|6.805187|8.871260|17.550802|0.104834|0.133632|0.150398|0.110001|0.116093|0.098326|0.091959|0.180406|0.113741|0.117019|0.091080|0.095762|0.090503|0.156614|0.121736|0.107780|0.115896|0.087763|0.065296|0.051205|0.058985|0.044637|0.046637|0.043940|0.173937|0.139267|0.201217|0.131308|0.127447|0.139688|0.199898|0.174051|0.216530|0.500000| 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