Version2.1 2020-12-17T05:11:53Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 17-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN(Cc1nnc(o1)c2cccs2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)c4ccccc4 C09953806 RHF 6-31G(d) (6D,7F) CCCN(Cc1nnc(o1)c2cccs2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)c4ccccc4 C01[X(C22H28N5O4S2)] 177 C1 559 CCCN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1)Cc1nnc(o1)c1cccs1 CCCN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1)Cc1nnc(o1)c1cccs1 CCCN(Cc1oc(nn1)c2sccc2)C(=O)C[NH+]3CCN(CC3)[S](=O)(=O)c4ccccc4 InChIKey=HQBUVDOVLTZZIO-UHFFFAOYSA-O InChI=1S/C22H27N5O4S2/c1-2-10-26(16-20-23-24-22(31-20)19-9-6-15-32-19)21(28)17-25-11-13-27(14-12-25)33(29,30)18-7-4-3-5-8-18/h3-9,15H,2,10-14,16-17H2,1H3/p+1 InChI=1/C22H27N5O4S2/c1-2-10-26(16-20-23-24-22(31-20)19-9-6-15-32-19)21(28)17-25-11-13-27(14-12-25)33(29,30)18-7-4-3-5-8-18/h3-9,15H,2,10-14,16-17H2,1H3/p+1/fC22H28N5O4S2/h25H/q+1 CCCN(Cc1nnc(o1)c2cccs2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)c4ccccc4 C01[X(C22H28N5O4S2)] 177 C01 559 CCCN(C(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccccc1)Cc1nnc(o1)c1cccs1 CCC[N]([C](=O)C[NH]1CCN(CC1)S(=O)(=O)[C]1[CH][CH][CH][CH][CH]1)Cc1nnc(o1)C1=[CH][CH]=[CH]S1 CCCN(Cc1oc(nn1)c2sccc2)C(=O)C[NH]3CCN(CC3)[S](=O)(=O)[C]4[CH][CH][CH][CH][CH]4 InChIKey=MMPXVHKJPDLCGK-UHFFFAOYSA-N InChI=1S/C22H28N5O4S2/c1-2-10-26(16-20-23-24-22(31-20)19-9-6-15-32-19)21(28)17-25-11-13-27(14-12-25)33(29,30)18-7-4-3-5-8-18/h3-9,15,25H,2,10-14,16-17H2,1H3 InChI=1/C22H28N5O4S2/c1-2-10-26(16-20-23-24-22(31-20)19-9-6-15-32-19)21(28)17-25-11-13-27(14-12-25)33(29,30)18-7-4-3-5-8-18/h3-9,15,25H,2,10-14,16-17H2,1H3 3656.9234613594 -2215.8156882 1-A 29260.8612 129 430 559 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.31071 -92.05712 -20.75286 -20.68330 -20.65412 -20.65402 -15.84916 -15.73984 -15.72280 -15.68532 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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 8308.6672 48787.6738 52107.3120 0.99996 -0.00873 0.00329 0.00869 0.99986 0.01401 -0.00341 -0.01398 0.99990 1 0.01042 0.00178 0.00166 0.21721 0.03699 0.03464 7.89 17.53 21.85 31.34 44.43 49.48 64.21 64.85 76.68 99.08 107.88 135.47 149.73 157.24 170.05 181.51 248.12 271.65 282.13 300.40 311.21 352.20 363.75 423.12 427.54 439.89 462.70 491.42 495.59 524.21 531.03 557.19 582.65 594.89 610.88 649.86 658.88 695.68 723.05 729.10 759.56 761.96 782.03 801.33 883.57 893.59 913.63 921.98 967.17 978.09 1005.96 1028.21 1068.99 1087.63 1095.08 1152.86 1166.95 1170.68 1171.16 1188.64 1223.42 1232.16 1266.37 1302.82 1326.57 1339.96 1374.33 1386.67 1397.23 1450.32 1456.66 1467.54 1492.20 1500.07 1538.90 1540.66 1552.10 1566.67 1567.47 1594.10 1599.43 1608.88 1614.28 1615.91 1628.60 1632.33 1648.39 1651.40 1673.04 1695.18 1708.33 1718.17 1737.32 1750.45 1757.58 1769.08 1779.93 1826.77 1829.58 1846.20 1877.81 1892.56 1897.41 1920.48 1941.38 1966.63 1972.57 1999.28 2009.60 2045.63 2057.34 2086.60 2097.62 2103.41 2113.79 2122.18 2138.61 2142.07 2149.00 2182.08 2194.41 2219.45 2221.67 2237.09 2240.26 2259.65 2262.66 2277.19 2319.08 2322.99 2326.26 2332.96 2337.66 2350.37 2353.12 2361.71 2365.25 2365.90 2375.15 2381.32 2382.21 2390.21 2412.83 2520.34 2563.26 2574.34 2602.75 2663.42 2741.58 4581.18 4592.53 4601.09 4617.25 4660.90 4689.72 4708.81 4709.51 4717.20 4721.03 4727.66 4737.75 4765.95 4804.27 4809.23 4811.08 4818.58 4828.41 4846.70 4861.37 4877.69 4891.78 4908.40 4909.19 4910.82 4929.82 4961.83 5163.32 0.537419 0.566490 0.567434 0.469548 -2215.278270 -2215.249198 -2215.248254 -2215.346140 3.283113D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CCCN(Cc1nnc(o1)c2cccs2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)c4ccccc4 C09953806 RHF 6-31G(d) (6D,10F) C1 490.158273 |X|Y|Z| 58.483873 39.001087 155.946924 70.853811 27 6 7 8 16 19 5 1 2 |36.858105| |12.463076|36.858105| |7.524025|12.460700|36.858105| |4.945971|7.604812|12.966915|53.358707| |4.105979|5.742099|7.578045|17.690819|36.858105| |3.418718|4.276934|5.732554|10.549352|12.762346|36.858105| |2.792353|3.368360|4.221435|7.461572|7.674609|15.099557|53.358707| |2.556082|2.941663|3.655760|5.852783|5.307699|8.989778|18.812166|53.358707| |2.850833|3.223646|4.125421|6.196017|5.398496|9.069345|12.213139|20.397452|36.858105| |3.544062|4.165335|5.714936|8.583777|7.775513|14.166916|11.981348|11.962364|14.170928|73.516695| |2.623618|2.822340|3.490208|4.872824|3.945548|5.462227|7.298570|10.557326|13.132215|14.039862|36.858105| |2.214279|2.353278|2.809091|3.949774|3.165523|4.147603|5.948460|8.527757|7.634235|9.200104|14.092914|36.858105| |2.089581|2.158264|2.521763|3.427831|2.668487|3.289038|4.539531|5.846392|5.131162|7.193584|8.236863|13.329257|36.858105| |2.302987|2.329051|2.724600|3.573546|2.729408|3.286298|4.317124|5.296123|4.900926|7.452385|7.741700|8.253652|14.139058|36.858105| |2.883282|2.947366|3.594659|4.605223|3.520865|4.350206|5.343849|6.457843|6.815979|11.097078|10.980459|7.428086|7.444117|11.071053|388.023441| |4.024077|5.637816|7.671872|19.465003|7.967547|5.946469|6.677246|5.289524|3.898406|8.598637|3.141874|2.645823|2.306522|2.363416|20.752034|36.858105| |3.251719|4.298695|5.281730|11.514373|7.019828|5.663845|7.066930|5.393032|3.734114|7.751176|2.978793|2.571432|2.217264|2.221933|18.981717|15.777999|73.516695| |4.024660|5.208560|6.548801|10.506426|4.997717|4.197382|4.947257|4.256027|3.208221|6.764742|2.750775|2.366470|2.123959|2.200975|18.929692|12.399730|14.470682|36.858105| |3.126299|3.828205|4.373970|7.055993|3.957688|3.463537|4.354800|3.776721|2.748688|5.508363|2.386466|2.116447|1.906171|1.942139|16.138055|7.830085|13.306451|12.798644|53.358707| |2.879607|3.544965|4.136742|7.124348|4.197741|3.747936|4.850376|4.128691|2.926016|5.780086|2.494875|2.220862|1.972208|1.983157|16.420745|8.240472|17.206474|9.554269|25.532250|0.500000| |3.011244|3.679915|3.828120|6.007859|3.556069|3.013624|3.808616|3.289593|2.381595|4.763884|2.083434|1.864721|1.693059|1.725304|14.192652|5.999608|10.709834|7.673939|17.230124|0.260310|36.858105| |2.429636|2.849955|2.954788|4.576188|2.897815|2.561559|3.353168|2.944927|2.099649|4.075607|1.859650|1.697405|1.547808|1.561134|12.566796|4.297195|8.256497|4.990023|10.447372|0.198425|12.534384|36.858105| |2.264614|2.571138|2.699081|4.034624|2.546864|2.322003|3.051059|2.749315|1.977726|3.791178|1.783413|1.640928|1.511008|1.526480|12.162439|3.684458|6.810891|4.512957|9.194942|0.167278|7.910824|13.146370|53.358707| |2.285350|2.587771|2.829195|4.249192|2.654683|2.484647|3.283103|2.990188|2.152723|4.091347|1.944646|1.790277|1.643759|1.656312|13.191007|3.940484|7.255497|4.976827|10.454445|0.195955|6.593707|7.836629|17.908172|36.858105| |2.743664|3.152611|3.562504|5.311037|3.127421|2.890480|3.708219|3.357527|2.463787|4.793467|2.209683|1.994502|1.825318|1.860783|15.142446|5.118245|8.734736|7.631742|17.283271|0.255280|7.662578|6.587043|10.750088|12.522603|36.858105| |1.935159|2.138055|2.199615|3.213707|2.091473|1.933442|2.564910|2.347858|1.689103|3.195873|1.546435|1.441340|1.340978|1.352187|10.606560|2.792554|5.144201|3.254364|5.786353|0.110260|4.880226|7.060548|15.570275|7.065628|4.875465|388.023441| |1.865706|2.021637|2.094707|2.998056|1.944149|1.823629|2.415108|2.244946|1.629108|3.065167|1.510616|1.413882|1.326444|1.341602|10.454734|2.563212|4.620131|3.037224|5.182838|0.097581|4.022720|5.013337|10.583103|6.596085|4.727063|95.016489|73.516695| |1.944325|2.143279|2.145585|3.109345|2.036144|1.853841|2.442691|2.224469|1.604747|3.057791|1.468342|1.365237|1.272865|1.287944|10.125788|2.656348|4.854958|3.040140|5.181216|0.097856|4.730660|6.586656|10.582863|5.016028|4.019336|95.026986|13.544261|73.516695| |1.713573|1.897530|1.970828|2.927856|1.962019|1.844176|2.498798|2.294582|1.626121|3.028457|1.487735|1.401947|1.299570|1.296074|10.060250|2.524653|4.809953|2.789778|4.844841|0.099003|3.903425|5.552242|9.404717|5.550620|3.900730|76.746495|13.037255|13.036842|36.858105| |1.603794|1.761232|1.853560|2.743391|1.850585|1.773612|2.425450|2.257155|1.596705|2.937320|1.472211|1.399152|1.300368|1.290873|9.926655|2.345028|4.460852|2.577582|4.375630|0.090795|3.301136|4.302635|7.301416|5.141112|3.644931|49.638404|11.506042|8.827416|13.715257|36.858105| |1.470242|1.612050|1.697488|2.522620|1.734405|1.679316|2.325336|2.174526|1.525479|2.777304|1.409319|1.350906|1.254725|1.236857|9.433566|2.129002|4.093693|2.272089|3.748042|0.079492|2.806283|3.523910|5.460601|3.938350|3.007158|33.746395|7.847653|6.821674|7.971234|13.766792|36.858105| |1.431506|1.576252|1.645495|2.460149|1.712920|1.649265|2.292825|2.129729|1.485309|2.706242|1.365839|1.309517|1.212950|1.193284|9.107714|2.065093|4.012474|2.157804|3.524975|0.075385|2.711087|3.419834|4.949789|3.417993|2.710077|29.988306|6.570057|6.569734|6.921486|7.938951|13.737160|36.858105| |1.506946|1.670195|1.724145|2.587048|1.797502|1.703105|2.350746|2.158054|1.507082|2.773712|1.376799|1.310499|1.211274|1.196471|9.202916|2.181106|4.251953|2.274761|3.750368|0.079711|3.010496|3.943821|5.463952|3.524580|2.806798|33.746287|6.820553|7.845135|7.971215|6.844712|7.910720|13.737114|36.858105| |1.652038|1.838299|1.888593|2.827276|1.928240|1.801834|2.454444|2.238610|1.575506|2.933000|1.435038|1.354149|1.251917|1.244905|9.657409|2.415563|4.669017|2.581451|4.379235|0.091121|3.650671|5.150626|7.309254|4.305226|3.302006|49.637739|8.824655|11.498892|13.715157|7.867126|6.844771|7.939030|13.767023|36.858105| |17.585861|8.808811|5.485007|5.567817|3.552502|2.967723|3.385399|3.100499|2.495785|5.366967|2.311517|1.987301|1.886538|2.062432|17.872470|3.476015|5.172323|3.488635|3.860202|0.072649|2.830024|2.319034|2.932429|2.135055|2.507341|13.296184|3.194367|3.388503|1.654778|1.540762|1.414918|1.384793|1.464927|1.606354|0.500000| |17.540995|8.755313|6.806977|6.202264|3.663330|3.157710|3.571604|3.316600|2.718793|5.885620|2.542352|2.162738|2.060219|2.279984|20.083673|3.909777|5.592015|4.192196|4.406919|0.081229|3.067622|2.472906|3.202928|2.395983|2.921027|14.284069|3.487713|3.564413|1.757112|1.649799|1.501889|1.450354|1.520805|1.675095|0.302074|0.500000| |17.557017|8.773632|6.814941|6.240976|4.043485|3.506106|3.873535|3.616150|3.032249|6.739591|2.839336|2.371572|2.255696|2.528616|22.940220|3.649109|5.352059|3.534892|3.801726|0.072961|2.649825|2.187418|2.794167|2.094055|2.485565|12.588975|3.049481|3.141648|1.589831|1.501512|1.387219|1.351362|1.413737|1.535481|0.302190|0.301559|0.500000| |8.831236|17.512095|8.845688|9.393421|5.073284|3.791805|4.224109|3.663095|2.868827|6.350244|2.516647|2.141146|1.966400|2.095648|18.347496|5.903594|8.025080|5.853539|5.903738|0.108000|4.375895|3.257787|3.931031|2.840373|3.478998|16.869519|3.943292|4.278706|2.067576|1.892377|1.715887|1.679264|1.796434|2.002754|0.212910|0.209612|0.172691|0.500000| |8.847858|17.549411|8.866343|9.512562|6.233816|4.435336|4.743178|4.075148|3.241996|7.455093|2.802616|2.342518|2.134055|2.284023|20.448894|5.104115|7.355124|4.378786|4.647942|0.090580|3.366157|2.676928|3.241882|2.374046|2.806889|14.264199|3.343444|3.600773|1.809705|1.678420|1.551180|1.531058|1.627136|1.776448|0.212985|0.172694|0.210714|0.304482|0.500000| |6.899382|8.825444|17.624571|12.563556|7.363816|6.317877|6.094964|5.477573|4.824673|12.760163|4.109100|3.184442|2.853961|3.148479|31.231736|5.857332|7.932642|4.980402|4.918886|0.097569|3.176291|2.560027|3.228885|2.505379|3.073028|14.035301|3.370466|3.413023|1.795717|1.707619|1.579411|1.532325|1.593490|1.725527|0.140835|0.169903|0.204655|0.173415|0.210762|0.500000| |6.872630|8.816943|17.594485|12.370604|5.655704|4.800518|5.112887|4.595208|3.810006|8.825035|3.344912|2.731898|2.489637|2.706403|25.011399|7.192983|8.815953|7.587974|6.489386|0.120559|3.979538|3.052691|3.905528|3.072123|4.025451|16.484074|3.984447|3.970667|2.046295|1.934152|1.754314|1.681111|1.751618|1.930490|0.140531|0.203558|0.169096|0.210611|0.173545|0.306942|0.500000| |3.529057|4.808369|5.665044|12.394652|17.693675|9.110793|9.942001|6.605428|4.555231|10.222089|3.416028|2.859165|2.417202|2.426941|21.337233|7.571225|14.211169|4.720434|5.460175|0.122033|3.729844|3.085106|3.593986|2.711034|3.109780|15.404026|3.523578|3.766407|2.058020|1.927229|1.815857|1.812288|1.916458|2.049497|0.088061|0.088479|0.094751|0.126814|0.147077|0.146481|0.126893|0.500000| |4.550630|6.368442|7.401147|12.508612|17.615227|8.985729|8.165131|6.259103|4.878328|12.407256|3.754449|3.019109|2.597158|2.698327|24.879543|5.915859|9.216404|4.223073|4.616567|0.097008|3.164938|2.606844|3.139501|2.367339|2.755993|13.729404|3.203703|3.384937|1.805309|1.699693|1.596589|1.582484|1.664483|1.782783|0.110108|0.107420|0.127887|0.146629|0.216315|0.215109|0.146857|0.301294|0.500000| |2.045533|2.198595|2.598335|3.751162|3.045020|3.992025|6.099726|9.025841|6.806835|8.215887|8.923559|17.759055|8.580110|5.733160|37.632411|2.563867|4.536452|2.278144|2.824501|0.061179|1.834994|1.688337|2.216755|1.776741|1.954409|10.201815|2.493206|2.411018|1.409902|1.411879|1.372646|1.334615|1.331498|1.366962|0.051439|0.055406|0.060095|0.056261|0.061166|0.079983|0.069983|0.078391|0.079708|0.500000| |1.871648|1.924671|2.211114|3.017236|2.338713|2.816953|3.946137|4.948864|4.083854|5.905735|5.731677|8.608936|17.762636|8.907827|37.679268|2.061165|3.557047|1.916513|2.376183|0.050183|1.561638|1.442540|1.925115|1.535843|1.686041|9.003882|2.232485|2.136199|1.234018|1.240206|1.202573|1.163011|1.156962|1.190082|0.047423|0.051421|0.055729|0.049211|0.052944|0.068322|0.060890|0.059823|0.063296|0.200998|0.500000| |2.203101|2.182568|2.501967|3.228453|2.429415|2.826602|3.688762|4.355323|3.882837|6.219291|5.434777|5.694889|8.765087|17.788127|55.558225|2.149059|3.581437|2.036022|2.457388|0.050792|1.615951|1.467313|1.963472|1.559500|1.745643|9.153889|2.281636|2.184911|1.230763|1.226778|1.174843|1.132270|1.134635|1.180956|0.055216|0.061031|0.067394|0.054767|0.059239|0.079538|0.069656|0.060427|0.067347|0.122516|0.203676|0.500000| |3.885230|4.708399|6.289933|9.146522|4.565523|4.144267|4.905880|4.384301|3.377478|7.033808|2.950234|2.528606|2.280660|2.379097|20.547946|8.839430|11.393984|17.614279|12.348687|0.210063|5.653253|4.178336|5.536298|4.777052|7.561192|21.560717|5.221483|4.934917|2.625145|2.490628|2.202314|2.063450|2.135640|2.394839|0.091968|0.116102|0.097394|0.137515|0.109240|0.140902|0.226389|0.115588|0.108174|0.066979|0.056915|0.061090|0.500000| |4.696310|6.105951|6.827763|9.339156|4.544116|3.718904|4.339082|3.784533|2.895184|6.144109|2.533430|2.185453|1.991998|2.088329|17.932111|8.640517|10.807821|17.659982|12.326206|0.185653|7.462684|4.738423|5.844864|4.436427|6.405134|22.693037|5.314250|5.474953|2.664608|2.431104|2.136113|2.038724|2.168343|2.479163|0.113372|0.139041|0.108914|0.210072|0.134833|0.138593|0.224472|0.118274|0.113215|0.058064|0.050082|0.054256|0.301456|0.500000| |3.201835|3.816559|3.808115|5.579692|3.268531|2.771635|3.455762|3.035265|2.235576|4.493485|1.986103|1.776756|1.631903|1.679032|13.808449|5.171126|8.550439|7.028575|12.373477|0.182072|17.631897|8.862361|9.692435|5.808946|6.973600|34.052665|7.274442|8.643950|3.617469|3.068297|2.593377|2.490367|2.754836|3.348026|0.084519|0.092354|0.076735|0.130227|0.094785|0.087231|0.112309|0.092666|0.083150|0.048196|0.041848|0.044013|0.150062|0.224211|0.500000| |3.161114|4.021626|4.096502|6.739059|4.051288|3.286132|4.122001|3.471035|2.494358|5.053192|2.148099|1.910737|1.721755|1.751455|14.514974|6.748576|12.535369|7.183917|12.382246|0.229155|17.648058|8.815400|7.723272|4.951614|5.611910|28.383053|5.910642|7.153152|3.416307|2.921484|2.567561|2.541451|2.841469|3.348643|0.082921|0.086798|0.077153|0.134521|0.105101|0.093578|0.112581|0.122262|0.099816|0.052327|0.043985|0.045378|0.143443|0.195544|0.298291|0.500000| |2.331063|2.703408|2.711991|4.116677|2.659217|2.335983|3.054201|2.692597|1.924537|3.734158|1.715525|1.571502|1.441168|1.456077|11.668284|3.695440|6.984473|4.148277|7.622616|0.144982|8.990529|17.662007|12.486109|5.683316|4.949993|49.410435|8.447782|14.173568|5.424649|4.028927|3.354535|3.360075|4.039528|5.433495|0.062896|0.065508|0.058154|0.086470|0.071379|0.065696|0.076861|0.078911|0.067838|0.043407|0.037430|0.038185|0.097656|0.114959|0.217775|0.210941|0.500000| |2.283454|2.694376|2.842202|4.535364|2.961825|2.651636|3.546628|3.089120|2.163300|4.152086|1.899436|1.742392|1.575751|1.574249|12.621575|4.286151|8.843650|4.603475|9.309735|0.207540|8.834791|17.488269|12.281709|6.989801|5.736557|41.998879|7.742765|9.491812|5.606827|4.459665|3.793698|3.769850|4.370549|5.500026|0.060323|0.063827|0.057904|0.083658|0.071504|0.069355|0.080291|0.089562|0.073065|0.048574|0.040855|0.040895|0.108873|0.116091|0.173463|0.215252|0.300648|0.500000| |2.124280|2.347430|2.551178|3.726778|2.355300|2.238607|2.965391|2.752435|1.995599|3.755274|1.833163|1.702363|1.579657|1.594127|12.552943|3.320960|5.990219|4.136066|7.628491|0.143357|4.955174|5.682369|12.489441|17.662035|8.984455|49.444030|14.204896|8.454508|5.419919|5.419493|4.031502|3.356416|3.353100|4.028578|0.055336|0.062434|0.054416|0.070820|0.059772|0.063693|0.077560|0.066078|0.059095|0.046857|0.041219|0.041959|0.115397|0.105706|0.130829|0.109016|0.127691|0.142760|0.500000| |2.155648|2.457931|2.722999|4.198868|2.690225|2.561217|3.458506|3.143555|2.224187|4.168282|1.995173|1.848989|1.683209|1.677592|13.288874|3.912770|7.587366|4.589866|9.308332|0.204406|5.735935|6.991913|12.293667|17.481244|8.835957|42.050252|9.511141|7.746815|5.610167|5.493963|4.366356|3.769547|3.796492|4.465180|0.055840|0.061993|0.055513|0.073786|0.063557|0.067845|0.080742|0.077340|0.065900|0.051473|0.043774|0.043633|0.123063|0.109861|0.133167|0.129298|0.142827|0.206195|0.300644|0.500000| |2.688934|3.056134|3.589828|5.333767|3.161326|3.029495|3.912234|3.605238|2.657148|5.106096|2.396156|2.164161|1.976471|2.010722|16.346175|5.026878|8.521584|7.098063|12.373597|0.222964|5.603363|4.948006|7.718016|8.817456|17.619958|28.378017|7.154445|5.908010|3.416894|3.346890|2.840837|2.542384|2.569586|2.923885|0.067370|0.079814|0.068871|0.090638|0.075579|0.087920|0.114597|0.085829|0.076701|0.058810|0.050592|0.052191|0.230568|0.157444|0.142765|0.126818|0.108924|0.129357|0.211057|0.215614|0.500000| |2.882137|3.230173|3.545374|5.002583|2.922336|2.675145|3.380984|3.091878|2.306705|4.523172|2.098990|1.892100|1.753584|1.807682|14.713455|4.567310|7.422843|7.002790|12.375142|0.180167|6.947459|5.777782|9.632411|8.843813|17.630625|33.909390|8.614573|7.245072|3.607466|3.338991|2.749339|2.486473|2.589508|3.062423|0.073515|0.087217|0.071570|0.100459|0.078497|0.084495|0.113844|0.079548|0.073223|0.051073|0.045032|0.047516|0.195998|0.187832|0.208056|0.142652|0.130150|0.132758|0.217731|0.173354|0.299254|0.500000| |1.619238|1.764996|1.868875|2.738035|1.830923|1.765370|2.403998|2.255439|1.606612|2.952264|1.491103|1.417871|1.323494|1.317279|10.110871|2.334353|4.372589|2.613896|4.406139|0.090045|3.218896|4.022784|7.191481|5.488052|3.853518|47.329080|13.233408|8.158641|8.896947|17.751504|8.902554|5.643012|4.940707|5.618434|0.043049|0.046639|0.042146|0.052518|0.046369|0.047902|0.054759|0.052395|0.046717|0.039609|0.035073|0.034849|0.071428|0.068466|0.084479|0.078063|0.102606|0.112121|0.177190|0.157428|0.099799|0.099071|0.500000| |1.397365|1.522427|1.611308|2.382492|1.645382|1.611365|2.241452|2.117907|1.486057|2.683955|1.382456|1.334021|1.243085|1.221732|9.248723|1.992659|3.810975|2.119205|3.429988|0.072851|2.508658|3.031753|4.685212|3.528874|2.775973|27.868767|6.872085|5.727941|5.660757|8.935622|17.735491|8.906375|5.634889|4.938908|0.037285|0.039714|0.036825|0.044668|0.040688|0.041950|0.046354|0.047581|0.042128|0.037732|0.033225|0.032280|0.057843|0.055223|0.064850|0.064108|0.079610|0.089977|0.102664|0.108834|0.074620|0.070768|0.214769|0.500000| |1.339820|1.470109|1.534793|2.291696|1.613709|1.565653|2.191512|2.046949|1.422463|2.573844|1.312418|1.266088|1.173981|1.150325|8.725531|1.902499|3.698025|1.961447|3.139710|0.067469|2.390682|2.915873|4.135359|2.914372|2.389956|24.225645|5.463937|5.463704|4.977989|5.650862|8.924706|17.728276|8.924804|5.650932|0.036042|0.037591|0.035322|0.043212|0.039868|0.039984|0.043368|0.047450|0.041548|0.035985|0.031386|0.030336|0.052367|0.051494|0.061237|0.063188|0.079769|0.089271|0.079688|0.089257|0.063212|0.061157|0.124149|0.215108|0.500000| |1.454526|1.612102|1.652325|2.480945|1.744141|1.649161|2.282278|2.091200|1.456322|2.678282|1.329376|1.267253|1.170966|1.155128|8.873333|2.070004|4.044741|2.123107|3.433253|0.073154|2.779929|3.535048|4.689082|3.033179|2.509951|27.868897|5.726657|6.869307|5.660798|4.938893|5.634881|8.906293|17.735782|8.935861|0.039456|0.040528|0.037985|0.048068|0.043980|0.042561|0.046241|0.051953|0.045109|0.035832|0.031106|0.030434|0.055141|0.056518|0.070902|0.074664|0.102904|0.108997|0.079599|0.090060|0.064173|0.064776|0.107347|0.124012|0.215108|0.500000| 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