Version2.0 2020-01-31T21:15:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(c(c1)[C@@H]2CC3=C([C@@H](Nc4ccccc4N3)c5ccc(cc5OC)OC)C(=O)C2)OC C21219762 RHF 6-31G(d) (6D,7F) COc1ccc(c(c1)[C@@H]2CC3=C([C@@H](Nc4ccccc4N3)c5ccc(cc5OC)OC)C(=O)C2)OC C01[X(C29H30N2O5)] 192 C1 600 COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1cc(OC)ccc1OC COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1cc(OC)ccc1OC COc1ccc([C@@H]2Nc3ccccc3NC4=C2C(=O)C[C@@H](C4)c5cc(OC)ccc5OC)c(OC)c1 InChIKey=DLVRSRXFNOKSQI-JWRCQZCYSA-N InChI=1S/C29H30N2O5/c1-33-18-10-12-26(35-3)21(15-18)17-13-24-28(25(32)14-17)29(31-23-8-6-5-7-22(23)30-24)20-11-9-19(34-2)16-27(20)36-4/h5-12,15-17,29-31H,13-14H2,1-4H3/t17-,29+/m1/s1 InChI=1/C29H30N2O5/c1-33-18-10-12-26(35-3)21(15-18)17-13-24-28(25(32)14-17)29(31-23-8-6-5-7-22(23)30-24)20-11-9-19(34-2)16-27(20)36-4/h5-12,15-17,29-31H,13-14H2,1-4H3/t17-,29+/m1/s1 COc1ccc(c(c1)[C@@H]2CC3=C([C@@H](Nc4ccccc4N3)c5ccc(cc5OC)OC)C(=O)C2)OC C01[X(C29H30N2O5)] 192 C01 600 COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1cc(OC)ccc1OC COc1ccc(c(c1)OC)[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](C2)c1cc(OC)ccc1OC COc1ccc([C@@H]2Nc3ccccc3NC4=C2C(=O)C[C@@H](C4)c5cc(OC)ccc5OC)c(OC)c1 InChIKey=DLVRSRXFNOKSQI-JWRCQZCYSA-N InChI=1S/C29H30N2O5/c1-33-18-10-12-26(35-3)21(15-18)17-13-24-28(25(32)14-17)29(31-23-8-6-5-7-22(23)30-24)20-11-9-19(34-2)16-27(20)36-4/h5-12,15-17,29-31H,13-14H2,1-4H3/t17-,29+/m1/s1 InChI=1/C29H30N2O5/c1-33-18-10-12-26(35-3)21(15-18)17-13-24-28(25(32)14-17)29(31-23-8-6-5-7-22(23)30-24)20-11-9-19(34-2)16-27(20)36-4/h5-12,15-17,29-31H,13-14H2,1-4H3/t17-,29+/m1/s1 3831.2276317209 -1598.8050734 1-A 21719.3944 129 471 600 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10.66950
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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| 14.2366 19.9219 28.3725 31.4164 43.9839 50.5482 65.6662 72.3943 74.5369 81.2180 90.2091 95.7807 115.9043 122.7075 137.5873 156.7144 164.5573 187.7289 191.3349 211.1859 226.1517 233.0888 240.0050 262.8753 268.5923 279.4478 295.0056 302.0302 307.9718 315.4368 324.8102 348.6638 354.0240 363.4077 399.1309 413.9451 432.2960 438.2595 454.1042 476.3886 486.5421 497.3343 514.5099 521.5551 530.0590 544.6983 575.1945 583.9798 587.5378 603.4410 615.2458 632.0757 639.6679 655.3957 670.7541 683.0152 686.9691 705.2365 718.2689 735.4778 760.5593 783.6848 790.9392 799.1233 811.7948 815.8356 817.8262 833.4372 847.2051 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MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE COc1ccc(c(c1)[C@@H]2CC3=C([C@@H](Nc4ccccc4N3)c5ccc(cc5OC)OC)C(=O)C2)OC C21219762 RHF 6-31G(d) (6D,10F) C1 486.215472 |X|Y|Z| 56.612218 52.516708 125.524713
71.996652 27 6 7 25 2
|36.858105| |13.635045|73.516695| |8.027052|25.042223|36.858105| |6.725883|13.985089|13.863433|36.858105| |4.506286|9.227457|7.955266|13.635027|36.858105| |3.788430|8.200891|6.849326|7.899762|13.857971|36.858105| |3.973338|9.381244|7.853225|6.805347|7.897840|13.520197|36.858105| |5.262659|14.567709|13.632092|7.965483|6.935129|7.975864|13.847326|36.858105| |3.095693|6.961015|4.966782|4.409618|5.019666|7.536998|12.523659|7.490321|36.858105| |2.790219|6.042599|4.250157|4.016481|4.788554|7.216589|9.025006|5.750285|17.571829|0.500000| |2.754993|5.986958|4.088053|3.756115|4.260204|5.883923|7.562995|5.509543|12.451412|0.249426|36.858105| |2.290578|4.832441|3.132396|2.906719|3.222336|4.131010|4.905293|3.973435|7.494902|0.190885|12.544666|36.858105| |2.181618|4.598642|2.909738|2.655707|2.873214|3.588401|4.337353|3.684129|6.573552|0.175305|7.592853|14.120119|36.858105| |1.871049|3.848050|2.370876|2.193734|2.345684|2.807948|3.229929|2.864862|4.335803|0.120552|4.833938|7.484813|12.591155|36.858105| |1.860017|3.828515|2.319163|2.117082|2.221758|2.617969|3.050515|2.794072|3.984264|0.108518|4.207733|5.782148|9.181549|17.674249|0.500000| |1.754999|3.567446|2.175501|2.027386|2.155074|2.528441|2.848119|2.571631|3.623379|0.098140|4.318255|6.465062|7.704188|12.955788|0.260711|53.358707| |1.677046|3.372005|2.073502|1.972822|2.128394|2.489739|2.711716|2.411601|3.368970|0.093111|4.153190|6.060169|6.000693|7.720752|0.160145|18.550078|36.858105| |1.495797|2.963849|1.803364|1.732113|1.859159|2.128400|2.271449|2.051739|2.714230|0.075788|3.206594|4.218980|4.229362|5.344032|0.123758|10.673470|13.691163|36.858105| |1.422548|2.790989|1.701325|1.657418|1.789784|2.028397|2.115044|1.907101|2.464356|0.069301|2.908554|3.626101|3.461358|4.003112|0.094996|7.005405|7.858198|13.783613|36.858105| |1.491173|2.923921|1.801539|1.774602|1.941202|2.208948|2.265463|2.014555|2.621863|0.073990|3.171114|3.873278|3.475876|3.737758|0.087567|6.179849|6.806225|7.972420|13.767434|36.858105| |1.669687|3.311765|2.070301|2.036632|2.255794|2.624449|2.703062|2.351472|3.200287|0.090015|4.083018|5.165338|4.285683|4.338802|0.098060|7.030214|7.918024|6.952358|7.984615|13.788161|36.858105| |1.793006|3.614800|2.263626|2.180531|2.398754|2.850203|3.053623|2.640996|3.809458|0.105532|5.055214|7.497224|6.071186|6.195848|0.130406|10.699198|13.671624|7.968217|6.846878|7.881480|13.704857|36.858105| |2.064917|4.244423|2.716768|2.594944|2.890457|3.564631|3.918393|3.269224|5.157218|0.138096|8.013546|13.945268|7.834371|6.233359|0.132990|9.026427|7.734892|5.139637|4.550685|5.188554|7.979553|13.537749|53.358707| |1.714640|3.473686|2.145215|2.027687|2.194434|2.605473|2.883180|2.534627|3.739464|0.111129|3.943993|5.475436|7.431730|12.460114|0.251542|10.369751|6.375831|5.125097|3.996822|3.690489|4.099684|5.303613|6.768444|36.858105| |1.736108|3.504059|2.198529|2.117111|2.342290|2.813857|3.025881|2.584994|3.918123|0.124018|4.027040|5.311772|6.402225|7.418978|0.161067|7.326778|5.236990|4.373204|3.728783|3.648690|4.129666|5.015808|6.646934|13.860597|36.858105| |1.581752|3.144407|1.957844|1.911507|2.112013|2.476439|2.587302|2.245283|3.170059|0.100483|3.180090|3.863543|4.368680|4.934914|0.118616|5.477880|4.060592|3.726749|3.349638|3.260761|3.495720|3.901492|5.045861|7.823177|13.646062|36.858105| |1.446348|2.853651|1.748818|1.699049|1.845910|2.120313|2.225684|1.982749|2.662484|0.081632|2.677458|3.214088|3.673550|4.394222|0.111796|5.102379|3.710719|3.606225|3.217917|2.997526|3.069365|3.379943|4.251806|6.786091|7.985062|13.835096|36.858105| |1.430377|2.829897|1.716735|1.646958|1.765336|2.019884|2.159793|1.953884|2.595200|0.077324|2.643345|3.238825|3.830793|4.999744|0.132417|5.869571|4.057665|4.003400|3.389478|3.018707|3.051407|3.457434|4.270386|7.844492|6.934930|7.928863|13.639655|36.858105| |1.541312|3.082680|1.872133|1.773813|1.894778|2.192546|2.396177|2.165019|2.959429|0.086674|3.070950|3.951857|4.967089|7.530338|0.198379|8.254422|5.197493|4.811877|3.774622|3.316110|3.444330|4.153593|5.109485|13.526264|8.034557|6.869671|7.935135|13.842236|36.858105| |1.502665|3.001289|1.797691|1.686919|1.775078|2.029967|2.240946|2.070518|2.725124|0.077296|2.855158|3.623392|4.529529|6.961193|0.213221|8.682390|5.023550|4.793868|3.646437|3.111144|3.175817|3.836009|4.708516|8.145600|5.319214|4.618222|5.206045|7.947323|14.078366|73.516695| |1.371565|2.710506|1.606129|1.512484|1.579268|1.776897|1.941137|1.820319|2.291471|0.064901|2.365106|2.863440|3.419777|4.623084|0.142042|6.063914|3.792786|3.852170|3.113606|2.658066|2.640794|3.040048|3.764810|5.238691|4.009245|3.802129|4.533018|6.783773|7.986602|24.175754|36.858105| |1.331678|2.599609|1.583502|1.550477|1.678772|1.896861|1.962721|1.767182|2.280831|0.069584|2.275453|2.635059|2.922187|3.354762|0.087706|4.067054|3.000741|3.009068|2.793018|2.620019|2.624161|2.786772|3.525400|4.587702|5.207059|7.879248|14.122916|8.228219|5.309805|7.187010|3.848058|73.516695| |1.317230|2.556461|1.564626|1.550582|1.692451|1.902595|1.932114|1.730450|2.209469|0.068246|2.183971|2.462728|2.654811|2.902333|0.075322|3.542569|2.661185|2.647259|2.535749|2.457415|2.478228|2.569452|3.307577|3.771852|4.513888|6.738246|8.029521|5.270688|3.993933|5.654958|3.010515|24.220067|36.858105| |2.402484|5.174289|3.258342|2.877120|3.042559|3.795810|4.882955|4.275877|7.571508|0.194232|6.599789|7.797540|12.934831|7.585774|0.212298|7.016950|4.142647|3.232249|2.740976|2.741737|3.236297|4.140841|6.917181|5.678040|5.163447|3.857651|3.325644|3.443737|4.261695|7.073044|3.163685|4.836606|2.499027|36.858105| |2.221891|4.704639|2.875235|2.548426|2.647810|3.176300|3.920674|3.615654|5.326192|0.144330|4.659726|5.384472|8.141528|6.911658|0.228163|6.388696|3.701722|3.015293|2.545090|2.485077|2.830171|3.519407|5.446304|5.646725|4.907971|3.831234|3.444079|3.668529|4.553127|7.726822|3.496884|5.021439|2.550131|15.844227|73.516695| |2.964370|6.706262|4.385218|3.682539|3.842903|4.965763|7.413456|6.433812|12.507382|0.249348|7.713630|6.597488|7.390438|4.865339|0.133564|5.257401|3.349862|2.701944|2.384939|2.449436|2.901700|3.534092|6.118935|4.002961|3.929711|3.152892|2.726514|2.742564|3.203592|5.372712|2.528746|4.121495|2.196233|12.556468|14.407880|36.858105| |2.987823|6.175103|4.603047|5.177442|7.895770|14.019346|8.116565|5.290825|6.933415|0.219264|5.980507|4.424648|3.748952|2.954587|0.074577|3.611771|2.680993|2.290390|2.206137|2.442838|2.941909|3.145049|5.356703|2.819370|3.160369|2.790029|2.331071|2.175847|2.341379|3.775476|1.846813|3.695091|2.109339|3.762185|5.581109|4.524598|73.516695| |2.704955|5.322077|3.795212|4.517142|6.752340|7.994066|5.232478|3.995019|4.605538|0.143712|4.259147|3.467864|3.017829|2.508216|0.063664|3.128550|2.364705|2.077879|2.044075|2.278275|2.680726|2.752858|4.450145|2.461103|2.781619|2.555481|2.157951|1.990827|2.095772|3.378220|1.677591|3.493848|2.033092|2.988229|4.611539|3.413213|24.231302|36.858105| |17.643214|17.003877|5.880989|4.902766|3.612780|3.181846|3.405263|4.415502|2.781000|0.069762|2.507248|2.131715|2.055710|1.785826|0.049764|2.290444|1.599000|1.433403|1.359968|1.415516|1.573226|1.691567|2.624300|1.633414|1.638749|1.496744|1.380372|1.374068|1.481042|2.587685|1.336567|2.264749|1.255124|2.268921|3.783050|2.750161|4.611343|2.358549|0.500000| |17.551200|16.448162|7.058753|6.732641|4.571796|3.740458|3.783895|4.773991|2.957110|0.075891|2.589156|2.173500|2.083879|1.796970|0.049560|2.278938|1.604962|1.437712|1.370950|1.436987|1.603439|1.714010|2.670307|1.669204|1.705257|1.567294|1.432195|1.407218|1.504654|2.592431|1.335340|2.355987|1.318777|2.301278|3.814750|2.816766|5.293706|2.749772|0.299954|0.500000| |17.549894|16.446106|7.044718|6.728826|4.566410|3.733944|3.774568|4.760216|2.951487|0.074061|2.711608|2.246259|2.105571|1.811141|0.049636|2.339288|1.659469|1.484504|1.421990|1.500238|1.680690|1.788157|2.800760|1.659984|1.683915|1.535869|1.403410|1.386039|1.491895|2.585211|1.327000|2.300273|1.282363|2.268721|3.701841|2.757005|5.287890|2.735485|0.299978|0.298979|0.500000| |7.409104|12.423252|8.893353|17.761550|8.938151|5.653973|4.920656|5.638497|3.533026|0.091433|3.120010|2.506604|2.311064|1.953006|0.052581|2.481776|1.782935|1.585153|1.526980|1.632024|1.850607|1.957453|3.108727|1.820865|1.897220|1.734987|1.556576|1.509382|1.613344|2.738968|1.394080|2.548341|1.438586|2.479621|3.977582|3.061828|7.460242|3.935423|0.145186|0.222617|0.223138|0.500000| |3.916227|7.460390|5.679630|8.959623|17.761287|8.929130|5.617002|4.987875|4.088171|0.112912|3.640682|2.874239|2.568618|2.145716|0.056270|2.708846|1.991962|1.762521|1.717053|1.872595|2.157338|2.248415|3.613731|2.040527|2.196784|2.013721|1.764424|1.675167|1.778004|2.952586|1.487248|2.880394|1.649256|2.666710|4.187228|3.222122|12.586239|7.529351|0.089080|0.113216|0.113153|0.218651|0.500000| |4.916952|13.666841|9.020078|5.699466|4.988756|5.643451|8.916631|17.763395|6.866047|0.144258|5.237807|3.985176|3.843692|2.997247|0.083082|3.647706|2.453363|2.080892|1.909670|1.989543|2.306139|2.629821|4.390518|2.595471|2.582097|2.227381|1.989595|1.990158|2.229240|3.844994|1.901285|3.140540|1.710553|4.656636|7.086305|7.246003|7.560936|3.325267|0.122270|0.121088|0.120626|0.124744|0.108199|0.500000| |2.925288|6.435697|4.294474|3.806601|4.094512|5.266665|6.920964|5.770692|8.831643|0.174799|17.508231|8.947700|6.258787|4.328064|0.109026|5.562438|3.871959|3.039589|2.760662|2.982315|3.755717|4.572642|9.227074|3.452005|3.392211|2.748773|2.386308|2.399201|2.788906|4.758822|2.247645|3.651752|1.963011|5.723280|7.552020|6.885914|8.749459|3.701128|0.074421|0.074560|0.080583|0.088286|0.096519|0.159072|0.500000| |2.681104|5.679273|3.937449|3.839343|4.595634|6.441488|6.967946|4.962966|8.872408|0.217808|17.583976|8.923774|5.735741|4.099199|0.098483|5.183758|3.898499|3.096737|2.912063|3.290092|4.319329|4.993182|10.532717|3.557561|3.776501|3.076374|2.572355|2.490806|2.821768|4.616497|2.181132|3.937387|2.161029|4.945994|6.714603|5.580055|12.929428|5.099279|0.067083|0.070568|0.074686|0.089114|0.111828|0.124020|0.303004|0.500000| |1.636148|3.297665|1.985000|1.850337|1.947918|2.247867|2.513583|2.313300|3.104400|0.084448|3.550350|4.862837|5.795392|9.425489|0.242980|25.993872|9.623710|7.687095|4.942984|4.111645|4.346761|5.861654|6.728103|6.827446|4.746886|3.767239|3.706722|4.494555|6.426101|13.993519|5.369293|5.318737|2.557896|4.400800|7.602510|3.367813|4.160603|2.058712|0.043892|0.043448|0.044436|0.046625|0.050241|0.067346|0.095039|0.088311|0.500000| |1.424733|2.814567|1.696002|1.621084|1.723267|1.955848|2.097927|1.921458|2.486570|0.069302|2.850875|3.659191|3.846730|5.062375|0.124537|9.832522|8.966074|17.701588|8.933100|5.660786|4.991918|5.668847|5.661853|4.957985|4.057148|3.557498|3.621035|4.239196|5.126292|9.825153|4.536390|5.420425|2.621594|3.059453|5.239619|2.538833|3.698168|1.893675|0.038148|0.038084|0.039126|0.041381|0.045366|0.054597|0.075850|0.075508|0.234497|0.500000| |1.317268|2.564950|1.552325|1.516258|1.628106|1.822852|1.890124|1.722202|2.166591|0.060998|2.498624|3.016149|2.930007|3.378036|0.082966|5.686876|5.616748|8.933901|17.719855|8.897667|5.659194|4.938739|4.928496|3.445002|3.233173|3.021884|2.997320|3.170261|3.409248|5.957766|2.986285|4.764571|2.436567|2.402983|4.037051|2.112710|3.504053|1.848818|0.035112|0.035348|0.036592|0.039076|0.043621|0.047952|0.066436|0.069552|0.116731|0.215720|0.500000| |1.419238|2.757645|1.695498|1.686723|1.846662|2.073729|2.092619|1.870368|2.366590|0.066987|2.812006|3.278727|2.946513|3.100213|0.074463|4.919729|4.917786|5.652283|8.888066|17.723108|8.934850|5.625834|5.738807|3.106184|3.140812|2.906933|2.694656|2.670769|2.848662|4.761258|2.350850|4.304106|2.315366|2.404395|3.903857|2.194925|4.084903|2.188386|0.037418|0.038094|0.039845|0.043413|0.050005|0.050991|0.073958|0.082398|0.092969|0.124143|0.213265|0.500000| |1.727624|3.414658|2.155633|2.152250|2.417611|2.811067|2.822223|2.427988|3.265933|0.092127|4.206764|4.919366|3.921585|3.742199|0.086494|5.697142|5.642185|4.990541|5.665612|8.939183|17.685099|8.938653|10.075033|3.556766|3.720973|3.214942|2.787541|2.709892|2.993777|4.889879|2.328607|4.313002|2.345890|3.064636|4.722056|2.855034|5.705160|2.963483|0.044910|0.046127|0.048659|0.054334|0.064787|0.065070|0.106976|0.131140|0.099244|0.108142|0.124256|0.215931|0.500000| |2.129071|4.352612|2.815719|2.737486|3.093126|3.805500|4.036378|3.336675|5.007575|0.132906|8.038843|9.575282|5.848299|4.719436|0.107117|6.781324|5.813731|4.343750|4.125721|4.969364|7.724485|9.469349|26.105137|4.002185|4.079024|3.267525|2.771168|2.738032|3.163523|5.216697|2.420924|4.189014|2.254244|4.303204|6.130684|4.115581|7.571996|3.561273|0.054814|0.056062|0.059641|0.066933|0.079468|0.089307|0.195084|0.256828|0.110491|0.099144|0.093294|0.117507|0.236579|0.500000| |1.883674|3.832343|2.450578|2.373343|2.678637|3.312005|3.546927|2.921352|4.769330|0.158729|4.915946|6.506882|7.288437|6.869059|0.146948|6.918037|5.081465|4.077357|3.583754|3.690969|4.413480|5.398352|7.820807|9.012641|17.745498|8.969182|5.689816|4.986515|5.686659|7.614634|3.341413|7.473308|3.918387|5.712647|8.880345|4.494192|6.819594|3.291189|0.048925|0.051387|0.050839|0.058412|0.069412|0.079726|0.109266|0.129424|0.119381|0.101716|0.085295|0.088712|0.114391|0.133716|0.500000| |1.579800|3.122825|1.957288|1.938285|2.167209|2.534798|2.583641|2.222823|3.099550|0.100330|3.066276|3.566369|3.845492|4.049035|0.098609|4.642797|3.521078|3.258293|3.049724|3.069132|3.303855|3.548950|4.696959|5.619742|8.912118|17.768781|8.878554|5.624014|4.954782|6.517747|3.140295|12.436139|7.424689|3.482300|6.043725|2.986159|5.180730|2.727353|0.041326|0.043759|0.042699|0.048990|0.058002|0.060395|0.073226|0.084461|0.088146|0.085306|0.077104|0.077834|0.087136|0.087135|0.217960|0.500000| |1.333816|2.620437|1.575588|1.512545|1.608731|1.817010|1.935096|1.774428|2.278404|0.067123|2.314664|2.768769|3.211150|4.071948|0.112026|5.029651|3.491710|3.577622|3.091659|2.723441|2.691759|2.981459|3.682711|5.583830|4.989810|5.677065|8.989791|17.782334|8.864089|12.574083|7.510009|13.658548|4.913180|2.956837|5.652845|2.415681|3.448178|1.792201|0.035764|0.036482|0.035917|0.038766|0.042568|0.050340|0.059281|0.060857|0.110213|0.108518|0.082759|0.068009|0.066855|0.066651|0.108194|0.124404|0.500000| |1.362778|2.688964|1.590372|1.497817|1.561121|1.751460|1.911334|1.797848|2.243257|0.064028|2.261602|2.683221|3.217022|4.156536|0.129096|5.160656|3.266135|3.245883|2.711302|2.380593|2.390683|2.726439|3.464611|4.830451|3.876647|3.800786|4.639792|6.815611|7.120927|16.458339|17.578375|7.188460|3.136741|3.096631|6.252043|2.494826|3.228399|1.653935|0.036925|0.037028|0.036463|0.038401|0.040860|0.052174|0.059454|0.057958|0.120180|0.101810|0.072325|0.059227|0.059558|0.062491|0.089864|0.087845|0.221956|0.500000| |1.360949|2.687319|1.579212|1.478580|1.530647|1.711844|1.880343|1.785178|2.200556|0.061362|2.281328|2.732494|3.235026|4.270862|0.135616|5.846528|3.586950|3.639931|2.946577|2.516433|2.499442|2.877397|3.592572|4.410091|3.428626|3.190302|3.628949|4.934531|5.871404|16.990850|17.640425|5.616346|2.572530|3.027839|5.950639|2.450892|3.128633|1.596170|0.037027|0.036655|0.036577|0.037938|0.039954|0.052201|0.061227|0.058171|0.147857|0.120243|0.078922|0.062037|0.061425|0.064539|0.082308|0.075184|0.146573|0.299811|0.500000| |1.292836|2.538392|1.506174|1.430568|1.499448|1.679228|1.810897|1.692911|2.115960|0.060236|2.203375|2.649864|3.061658|4.023797|0.116773|5.512347|3.674645|3.948278|3.262205|2.730919|2.638817|2.955833|3.578361|4.667035|3.763902|3.714235|4.569069|6.755770|6.921970|16.431982|17.565598|7.156079|3.113135|2.788248|5.327737|2.281674|3.125558|1.614333|0.034955|0.035024|0.034905|0.036777|0.039491|0.048701|0.058118|0.057313|0.133674|0.132407|0.089181|0.067579|0.064405|0.064548|0.087337|0.086080|0.229686|0.298955|0.299960|0.500000| |1.323577|2.566062|1.578774|1.575340|1.733436|1.952713|1.962236|1.743398|2.240984|0.069425|2.248776|2.538667|2.674344|2.893832|0.073586|3.594491|2.779187|2.784091|2.728713|2.685943|2.694524|2.732895|3.480242|3.721184|4.573490|6.744628|7.051265|4.769753|3.798387|5.398411|2.821645|16.447195|17.559489|2.465038|4.375242|2.183433|3.900754|2.133823|0.034916|0.036765|0.035971|0.040593|0.047162|0.047546|0.055898|0.062671|0.071282|0.075226|0.072722|0.070859|0.071208|0.066344|0.113116|0.223469|0.120714|0.079518|0.067719|0.081606|0.500000| |1.378944|2.680646|1.646650|1.634185|1.789230|2.016526|2.043691|1.823374|2.334202|0.073084|2.257591|2.510025|2.718281|2.896392|0.075587|3.452527|2.554526|2.478917|2.357282|2.316297|2.386141|2.500967|3.303022|3.724388|4.576694|6.744522|7.055773|4.773766|3.801054|5.398081|2.842490|16.448304|17.560786|2.617852|4.768563|2.319644|3.982376|2.158743|0.036409|0.038523|0.037144|0.042031|0.048400|0.049911|0.056001|0.061929|0.068542|0.067706|0.062258|0.060527|0.063454|0.062719|0.113299|0.223371|0.120804|0.083317|0.068187|0.079499|0.299030|0.500000| |1.230346|2.372276|1.441953|1.430978|1.551472|1.723615|1.745619|1.580533|1.966905|0.060064|1.943618|2.164744|2.319424|2.528214|0.066615|3.143022|2.356267|2.377707|2.300138|2.219335|2.209433|2.268308|2.918974|3.170031|3.618330|4.909297|5.885233|4.425630|3.419279|5.054289|2.780009|17.002793|17.639909|2.205709|4.023097|1.962912|3.365503|1.839929|0.032676|0.034267|0.033296|0.037113|0.042162|0.043470|0.049089|0.053492|0.063732|0.066108|0.062380|0.058762|0.058328|0.055720|0.089123|0.145392|0.122325|0.081042|0.066730|0.080844|0.299904|0.299906|0.500000| |3.044961|6.877101|4.422863|3.692582|3.777434|4.704996|6.692052|6.255638|8.741568|0.212193|5.539469|4.904866|5.565628|4.126637|0.116747|4.487550|2.889601|2.403481|2.142339|2.186390|2.533555|2.998586|4.949181|3.617799|3.613850|3.012889|2.635043|2.629464|2.996988|5.015220|2.414237|4.041433|2.169527|9.006559|13.664783|17.600732|7.495111|3.275207|0.078733|0.081894|0.076918|0.085903|0.088278|0.196854|0.140378|0.123645|0.082292|0.063586|0.053429|0.055050|0.069445|0.093966|0.112224|0.080169|0.064947|0.067430|0.064876|0.060457|0.059268|0.064457|0.054133|0.500000| |3.150884|7.284850|4.572301|3.669747|3.654949|4.490210|6.666430|6.747703|8.805466|0.174285|6.972428|5.886645|6.300587|4.440611|0.125716|5.094852|3.214999|2.611327|2.304440|2.355705|2.768841|3.357276|5.754542|3.541991|3.364400|2.750313|2.440916|2.499599|2.927365|5.080371|2.421054|3.732811|1.981345|9.065729|12.010512|17.512310|7.015814|3.062311|0.082315|0.081001|0.081217|0.085360|0.084907|0.242855|0.204844|0.141418|0.091747|0.068572|0.056941|0.058777|0.075554|0.109037|0.103641|0.072111|0.062105|0.065834|0.066435|0.060668|0.054763|0.057505|0.049717|0.302360|0.500000| |2.758502|5.340441|3.778558|4.612162|6.776021|7.090455|4.796709|3.842822|4.118028|0.128620|3.635932|3.032377|2.736003|2.307967|0.059456|2.858916|2.134061|1.894377|1.856737|2.038419|2.351721|2.425311|3.841865|2.286474|2.576342|2.409401|2.056371|1.893523|1.974695|3.190529|1.599602|3.366376|1.972368|2.787129|4.395904|3.199679|16.453283|17.558791|0.066561|0.079856|0.076676|0.114241|0.223949|0.089022|0.089563|0.114230|0.052846|0.048507|0.047075|0.054524|0.070934|0.083438|0.083153|0.071764|0.047650|0.044157|0.042296|0.042714|0.057005|0.058714|0.049896|0.088239|0.079806|0.500000| |2.357835|4.616902|3.183507|3.617519|4.916430|5.866316|4.396480|3.415001|4.241409|0.137097|4.073757|3.503369|3.052455|2.580180|0.064675|3.221208|2.476296|2.188433|2.173288|2.445846|2.879892|2.907212|4.612820|2.590625|3.001533|2.793635|2.324855|2.110273|2.200073|3.499684|1.734044|3.768685|2.219120|2.943712|4.567522|3.221645|17.000791|17.638734|0.058147|0.066340|0.066010|0.089416|0.146838|0.081836|0.096514|0.136268|0.058808|0.055075|0.054522|0.065539|0.089211|0.102235|0.099608|0.084487|0.052519|0.047425|0.045490|0.046635|0.065571|0.065443|0.055427|0.085382|0.079599|0.299877|0.500000| |2.731257|5.271901|3.722155|4.565811|6.735329|6.962263|4.690766|3.769706|4.035685|0.118734|3.939638|3.201600|2.753946|2.316612|0.059013|2.955259|2.251850|1.994822|1.982817|2.227045|2.609630|2.633331|4.226487|2.247112|2.491345|2.293055|1.967596|1.834418|1.934175|3.155373|1.575532|3.203575|1.856223|2.695583|4.178103|3.066373|16.437869|17.553111|0.065917|0.076525|0.078628|0.113699|0.228875|0.087384|0.098998|0.132979|0.054215|0.050436|0.049995|0.060032|0.081253|0.096092|0.080460|0.067305|0.046212|0.042948|0.041898|0.042271|0.054228|0.054150|0.047041|0.080967|0.078781|0.299029|0.300081|0.500000|
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