Version2.1 2021-01-07T20:45:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1cnnc1Sc2ccc(cc2[N+](=O)[O-])C(=O)NCc3ccccc3CN4CCCC4=O C31950168 RHF 6-31G(d) (6D,7F) Cn1cnnc1Sc2ccc(cc2[N+](=O)[O-])C(=O)NCc3ccccc3CN4CCCC4=O C01[X(C22H22N6O4S1)] 159 C1 543 O=C1CCCN1Cc1ccccc1CNC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1nncn1C O=C1CCCN1Cc1ccccc1CNC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1nncn1C C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN3C(=O)N[C@@H](CC4=C5C=CC=CC5=[NH+]C4)C3=O InChIKey=KRMRKZDHNNRGHX-LIRRHRJNSA-O InChI=1S/C24H23N5O4/c1-14-10-21(30)26-18-8-4-5-9-20(18)29(14)22(31)13-28-23(32)19(27-24(28)33)11-15-12-25-17-7-3-2-6-16(15)17/h2-9,14,19H,10-13H2,1H3,(H,26,30)(H,27,33)/p+1/t14-,19-/m0/s1 InChI=1/C24H23N5O4/c1-14-10-21(30)26-18-8-4-5-9-20(18)29(14)22(31)13-28-23(32)19(27-24(28)33)11-15-12-25-17-7-3-2-6-16(15)17/h2-9,14,19H,10-13H2,1H3,(H,26,30)(H,27,33)/p+1/t14-,19-/m0/s1/fC24H24N5O4/h25-27H/q+1 Cn1cnnc1Sc2ccc(cc2[N+](=O)[O-])C(=O)NCc3ccccc3CN4CCCC4=O C01[X(C22H22N6O4S1)] 159 C01 543 O=C1CCCN1Cc1ccccc1CNC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1nncn1C O=C1CCCN1C[C]1[CH][CH][CH][CH][C]1CNC(=O)[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])S[C]1[N][N]=[CH][N]1C CO[C]1[CH][C]([CH][CH][C]1OC2CCCC2)[C@@H]3[C@@H]4C(=NN=C4[C]5[CH][CH][C](Cl)[CH][CH]5)OC(=C3C#N)N InChIKey=FCIJZMXWDGSXMI-VXKWHMMOSA-N InChI=1S/C25H23ClN4O3/c1-31-20-12-15(8-11-19(20)32-17-4-2-3-5-17)21-18(13-27)24(28)33-25-22(21)23(29-30-25)14-6-9-16(26)10-7-14/h6-12,17,21-22H,2-5,28H2,1H3/t21-,22-/m0/s1 InChI=1/C25H23ClN4O3/c1-31-20-12-15(8-11-19(20)32-17-4-2-3-5-17)21-18(13-27)24(28)33-25-22(21)23(29-30-25)14-6-9-16(26)10-7-14/h6-12,17,21-22H,2-5,28H2,1H3/t21-,22-/m0/s1 3349.9212208384 -1869.4485923 1-A 24396.1557 122 421 543 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0.5631 0.6485 0.6635 0.8398 0.5619 0.2821 0.7102 0.4053 0.3308 0.4591 0.4613 0.1156 0.0903 0.2954 0.5374 0.7594 0.6961 0.4844 0.8021 0.6779 0.8553 0.8511 0.4156 0.6518 0.2134 0.2690 0.3666 0.4507 0.2397 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 6 7 6 7 7 6 16 6 6 6 6 6 6 7 8 8 6 8 7 6 6 6 6 6 6 6 6 7 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 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 7523.5678 40304.4780 42350.7032 0.99999 0.00051 0.00398 -0.00053 0.99998 0.00592 -0.00397 -0.00592 0.99997 1 0.01151 0.00215 0.00205 0.23988 0.04478 0.04261 9.34 13.02 27.46 35.43 47.30 55.94 62.20 70.08 74.99 100.69 107.87 135.57 139.62 163.03 215.50 222.19 235.38 261.29 264.39 280.79 296.46 326.49 346.82 352.14 383.43 426.39 439.88 464.25 482.90 502.79 537.65 576.12 638.26 661.51 680.05 704.00 728.83 762.52 781.42 787.61 812.28 841.37 865.55 893.42 921.81 943.53 955.92 1013.03 1036.17 1046.54 1051.07 1079.19 1123.93 1141.03 1159.56 1170.32 1204.38 1223.45 1230.35 1242.85 1282.49 1292.10 1347.44 1381.02 1391.31 1408.91 1409.59 1428.70 1441.82 1491.31 1510.78 1517.14 1537.39 1549.33 1561.98 1596.07 1603.88 1619.10 1657.41 1658.38 1664.72 1682.72 1684.89 1720.73 1731.15 1757.01 1767.47 1778.96 1805.71 1818.57 1839.95 1850.02 1862.96 1868.61 1870.84 1897.34 1912.58 1934.00 1941.30 1951.02 1962.48 1974.37 2005.78 2038.23 2042.68 2068.12 2097.46 2138.11 2154.09 2156.97 2203.63 2217.57 2226.11 2228.87 2309.83 2312.73 2324.13 2333.26 2352.21 2354.80 2369.15 2373.46 2377.84 2385.70 2396.45 2412.83 2415.48 2429.86 2435.52 2471.98 2519.11 2561.67 2596.26 2606.99 2680.34 2808.63 2846.23 4570.89 4645.33 4653.43 4660.81 4664.98 4670.92 4696.93 4729.00 4743.78 4752.04 4769.62 4780.68 4823.95 4829.47 4842.51 4869.10 4872.21 4887.49 4902.63 4959.94 4988.15 5571.42 0.463080 0.491397 0.492341 0.396155 -1868.985512 -1868.957195 -1868.956251 -1869.052438 3.226128D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cn1cnnc1Sc2ccc(cc2[N+](=O)[O-])C(=O)NCc3ccccc3CN4CCCC4=O C31950168 RHF 6-31G(d) (6D,10F) C1 466.142325 |X|Y|Z| 52.676112 40.182500 141.445070 66.897952 27 6 7 16 21 5 1 |36.858105| |13.122182|53.358707| |7.564745|19.176717|36.858105| |5.319608|11.911343|14.836747|53.358707| |5.309968|11.913077|8.962310|19.114348|53.358707| |7.512593|19.109563|8.977820|12.170385|20.174183|36.858105| |5.842818|9.419146|4.967315|6.734074|9.532937|10.811342|388.023441| |4.136296|6.616919|4.025402|5.873983|8.179098|6.907272|75.902198|36.858105| |3.268643|5.080452|3.250370|4.823584|6.411411|4.965915|50.482087|13.744159|36.858105| |2.712769|4.143043|2.759709|4.114254|5.157882|3.809901|33.820252|7.875612|13.746637|36.858105| |2.635227|4.009249|2.717257|4.040693|4.906120|3.578803|29.503740|6.771008|7.923233|13.772549|36.858105| |3.031970|4.650720|3.126320|4.606829|5.586774|4.141175|32.839046|7.855804|6.913769|7.988097|13.727454|36.858105| |3.868858|6.092277|3.884310|5.645884|7.248965|5.744639|47.305372|13.626777|8.020801|6.931011|7.942607|13.825745|36.858105| |4.496063|6.947368|4.419743|6.077955|7.172355|5.890850|41.165444|7.583431|5.086024|4.527419|5.153890|7.933634|13.026449|53.358707| |3.830246|5.915746|4.094185|5.745265|6.307339|4.747957|30.940317|5.440907|4.130681|3.938424|4.701442|7.105998|8.399848|21.799922|73.516695| |5.727744|8.129843|4.744985|6.010480|6.890893|6.323462|44.997056|6.665762|4.536307|3.877793|4.129416|5.576171|8.345656|21.701328|16.035261|73.516695| |2.199784|3.287367|2.282721|3.373551|3.912682|2.814910|22.223634|4.413461|4.999299|7.477768|12.663606|7.705563|5.077116|5.329207|6.828496|5.779795|36.858105| |2.102113|3.095347|2.159777|3.146617|3.559845|2.582909|19.991002|3.805460|4.022475|5.314840|8.087831|6.787411|4.569072|5.175047|6.890167|5.632510|15.880457|73.516695| |1.984405|2.967252|2.082282|3.097726|3.567552|2.531835|19.866035|3.735327|4.440912|6.520817|7.838215|5.232534|3.967855|4.300599|5.501535|4.827481|14.059172|15.083630|53.358707| |1.734994|2.566240|1.823269|2.692528|3.017843|2.137548|16.388763|2.916548|3.313783|4.351716|5.021264|3.913311|3.111007|3.576979|4.686680|4.090305|7.802715|12.280779|17.767822|36.858105| |1.595188|2.353833|1.678340|2.478798|2.764842|1.953220|14.972457|2.572382|2.966380|3.743494|3.920437|3.135438|2.637730|3.066464|3.975785|3.582107|5.123017|8.011435|10.607883|12.570297|36.858105| |1.527884|2.269935|1.640372|2.442682|2.696947|1.876312|14.068803|2.368983|2.691208|3.267952|3.379311|2.807949|2.417241|2.854405|3.735820|3.342233|4.138798|6.576656|7.769502|7.634129|13.715946|36.858105| |1.414027|2.090621|1.513685|2.245025|2.461470|1.716223|12.851757|2.106096|2.387398|2.802015|2.801408|2.379614|2.110383|2.521357|3.280463|2.996860|3.246899|5.227492|5.701636|5.030027|7.873965|13.753816|36.858105| |1.364259|1.998579|1.435054|2.108833|2.316642|1.635844|12.429129|2.016408|2.302966|2.683396|2.627104|2.227558|1.996536|2.385281|3.071437|2.865909|3.000395|4.848422|5.182078|4.432095|6.843304|7.982420|13.789357|36.858105| |1.410721|2.053908|1.459397|2.130661|2.357829|1.685052|13.031817|2.136122|2.467186|2.927244|2.856683|2.379067|2.113976|2.503106|3.198283|3.010810|3.316789|5.341991|5.816454|4.998873|7.938237|6.930854|7.952602|13.745310|36.858105| |1.524278|2.223790|1.572171|2.297528|2.562613|1.836306|14.312839|2.412721|2.808143|3.471674|3.475957|2.806277|2.422815|2.828183|3.615284|3.362386|4.279305|6.797827|8.036208|7.456795|13.603440|7.914222|6.811687|7.877525|13.727449|36.858105| |1.554024|2.239798|1.563984|2.258217|2.526158|1.843268|14.656031|2.477472|2.881553|3.569421|3.581173|2.889926|2.491932|2.905446|3.676148|3.480985|4.394868|7.164299|7.589851|6.360033|7.483366|4.995406|4.409548|4.999311|7.544376|12.498671|36.858105| |1.507131|2.154782|1.496072|2.145696|2.399879|1.767074|14.216389|2.341715|2.738582|3.264497|3.122657|2.573661|2.296084|2.692539|3.365251|3.282147|3.545016|5.766864|5.750476|4.382461|5.081251|3.912327|3.747858|4.483717|6.615512|7.651770|13.201079|53.358707| |1.601726|2.292448|1.579201|2.265704|2.561339|1.896412|15.556571|2.543759|3.061555|3.599876|3.244183|2.649769|2.416901|2.795861|3.438142|3.432957|3.468125|5.456750|5.535169|3.862849|4.359011|3.538166|3.434204|4.023269|5.403366|5.839104|7.531865|17.891660|36.858105| |1.467222|2.078378|1.433659|2.040003|2.280371|1.696633|13.822842|2.181387|2.555142|2.859644|2.598866|2.210359|2.064503|2.443548|3.009668|3.046496|2.718401|4.406513|4.169799|2.978946|3.336161|2.873116|2.901332|3.444406|4.359155|4.268388|5.100716|11.082437|12.406977|36.858105| |1.374034|1.932468|1.336256|1.890555|2.093276|1.560939|12.591206|1.986368|2.268726|2.540918|2.395917|2.072169|1.920314|2.307314|2.866881|2.880402|2.564228|4.288203|3.865179|2.862432|3.150032|2.690890|2.696149|3.183013|4.049569|4.033541|5.130697|11.147733|7.912354|12.440382|36.858105| |1.389469|1.966619|1.366576|1.943694|2.151397|1.592710|12.735743|2.052762|2.341753|2.700852|2.617246|2.234312|2.021989|2.420781|3.036676|2.983797|2.923862|4.929972|4.515968|3.494701|3.914209|3.197761|3.144494|3.751352|5.117664|5.352080|7.746182|19.071775|8.103061|7.914247|12.547982|36.858105| |1.313938|1.854865|1.294908|1.837659|2.017438|1.490962|11.782595|1.893394|2.120048|2.432198|2.417943|2.100049|1.892759|2.296555|2.909066|2.829499|2.742347|4.756693|4.174024|3.351746|3.695777|3.057021|2.998974|3.521862|4.639513|4.855772|6.673891|11.387334|5.444354|5.343163|7.843979|15.914861|73.516695| |17.661654|12.458822|5.887488|6.229728|6.544370|6.771628|43.477226|4.492285|3.454109|2.872534|2.825674|3.317805|4.316947|7.121766|7.614339|13.181577|2.341119|4.007674|2.830873|1.810779|1.649222|1.564649|1.439965|1.392194|1.449906|1.578040|1.624264|2.139539|1.666378|1.520754|1.430642|1.449934|2.439539|0.500000| |17.605886|12.375041|6.007143|6.232438|6.403446|6.466478|40.493441|3.850631|3.162317|2.605108|2.474135|2.764411|3.455061|5.148514|5.754030|8.224699|2.076658|3.505432|2.583291|1.662964|1.545069|1.480225|1.379923|1.339733|1.386503|1.489018|1.520640|2.026843|1.594969|1.472076|1.372741|1.376446|2.305939|0.299123|0.500000| |17.637708|12.573105|7.266623|6.715061|6.159635|5.672466|31.458036|3.429721|2.793640|2.390850|2.359287|2.707092|3.332003|5.360755|6.288456|8.620148|2.012925|3.457886|2.482529|1.615511|1.488184|1.433085|1.329916|1.280997|1.319137|1.420077|1.443524|1.902533|1.474529|1.357555|1.279091|1.295648|2.190099|0.300676|0.300738|0.500000| |6.714332|12.154062|17.811376|12.373578|8.193897|6.038208|28.135206|3.312315|2.755169|2.398428|2.384648|2.720732|3.266602|5.113850|6.408110|7.221154|2.050290|3.490966|2.559685|1.670824|1.544223|1.514803|1.404777|1.333539|1.352689|1.450286|1.443004|1.882026|1.451722|1.327635|1.244698|1.271804|2.152439|0.145574|0.151635|0.210801|0.500000| |3.174114|4.882266|3.118370|4.597768|6.052269|4.718635|49.356882|8.973497|17.756630|8.939939|5.650401|4.976599|5.686116|5.605731|6.095650|6.890572|4.074672|5.969849|5.246814|2.986949|2.782511|2.555755|2.321617|2.269572|2.423020|2.694511|2.753038|3.666575|3.098852|2.630082|2.289208|2.313598|3.688472|0.091205|0.088015|0.075196|0.073821|0.500000| |2.399866|3.617323|2.440570|3.626628|4.431196|3.243894|28.213020|5.639424|8.973222|17.734145|8.896956|5.657607|4.983940|4.909476|5.748226|5.679274|6.834310|8.643849|9.707750|4.711492|4.260691|3.638053|3.136745|3.054497|3.395498|4.060295|4.157558|5.228163|4.401619|3.344468|2.880781|3.065665|4.794700|0.069811|0.064976|0.059374|0.059723|0.217474|0.500000| |2.820435|4.258900|2.931101|4.273521|4.933839|3.618678|27.156511|5.618753|4.979160|5.675552|8.937106|17.793725|8.959249|10.083952|14.090293|9.254762|7.210092|13.433166|6.604698|3.869021|3.033650|2.730982|2.301938|2.140494|2.275454|2.685770|2.762842|3.307379|2.441107|2.057524|1.963328|2.137609|3.629011|0.085885|0.070816|0.071559|0.072336|0.108026|0.124307|0.500000| |2.025601|3.064773|2.157916|3.251019|3.787376|2.650468|20.781799|3.893609|4.824880|7.155741|7.424348|4.968609|3.958698|4.234336|5.354215|4.777677|9.412899|10.947966|26.055131|9.081638|7.415153|5.986427|4.477370|4.012659|4.369754|5.716820|5.054088|5.532315|4.115041|3.101750|2.785062|3.172599|5.126059|0.058387|0.054081|0.051513|0.053816|0.118563|0.235028|0.122979|0.500000| |1.686437|2.462878|1.739271|2.536017|2.825036|2.030272|15.679387|2.766515|3.090607|3.979057|4.650339|3.745005|2.981820|3.482535|4.564439|4.016537|7.197782|13.082206|12.558487|17.650233|8.795310|5.736049|4.218754|3.944193|4.624615|6.854617|6.973340|6.266131|3.869098|3.010143|2.996644|3.759549|6.584640|0.049248|0.044906|0.043717|0.044491|0.077395|0.117559|0.105117|0.181423|0.500000| |1.711179|2.544269|1.830085|2.716981|3.009489|2.105826|15.752566|2.779612|3.062623|3.883887|4.603414|3.805249|3.025115|3.555584|4.770035|4.033592|6.840801|11.735156|12.373546|17.571513|8.903302|7.373169|4.812738|4.011722|4.213213|5.592893|4.749631|4.811181|3.176464|2.555862|2.473176|2.950847|5.131913|0.049436|0.045280|0.044552|0.046765|0.076424|0.111857|0.108129|0.201278|0.305207|0.500000| |1.559484|2.333638|1.702209|2.553778|2.803474|1.927568|14.202852|2.398691|2.677888|3.224611|3.422409|2.900988|2.483552|2.954531|3.919809|3.428711|4.186232|6.734805|7.529628|7.153498|8.936145|17.697906|8.939093|5.668955|4.980472|5.636165|4.075073|4.455224|3.026115|2.504439|2.359066|2.747621|4.718265|0.044257|0.041720|0.040761|0.043687|0.069874|0.096572|0.079391|0.160961|0.147891|0.227942|0.500000| |1.363303|2.020238|1.474776|2.193435|2.383761|1.650266|12.191924|1.971362|2.206212|2.533856|2.532996|2.198583|1.974305|2.385593|3.119805|2.843699|2.867611|4.667575|4.836473|4.111792|5.619954|8.911477|17.720377|8.903919|5.645424|4.920356|3.530959|4.230345|2.915382|2.540178|2.367314|2.690367|4.602714|0.038359|0.036962|0.035767|0.038162|0.059872|0.077413|0.059339|0.106019|0.097635|0.114568|0.215664|0.500000| |1.285844|1.877343|1.350909|1.979099|2.160781|1.527486|11.561365|1.843664|2.089398|2.380333|2.310916|1.993435|1.814100|2.188140|2.814889|2.650377|2.575577|4.204328|4.288068|3.545155|4.936473|5.659468|8.915886|17.715017|8.923607|5.625361|4.088554|5.330802|3.614220|3.273783|3.029527|3.442367|5.782434|0.036320|0.035212|0.033631|0.035009|0.057817|0.074557|0.053247|0.092285|0.089896|0.091207|0.124372|0.214049|0.500000| |1.356281|1.959727|1.386922|2.010659|2.219953|1.599527|12.448750|2.011931|2.316434|2.697365|2.600570|2.193366|1.975858|2.354360|2.992146|2.860444|2.946950|4.803651|4.948421|4.071486|5.649330|4.983997|5.661508|8.942315|17.741959|8.949450|7.044091|10.239066|5.981319|5.171573|4.862216|6.170188|9.628464|0.038741|0.037207|0.035244|0.035803|0.063904|0.086638|0.058191|0.102488|0.109376|0.096712|0.108025|0.124271|0.216137|0.500000| |1.692323|2.443505|1.693892|2.446256|2.763417|2.026954|16.327762|2.836356|3.339570|4.308364|4.392490|3.414545|2.875131|3.287818|4.131077|3.904438|5.593201|8.874214|9.655918|7.287005|7.079937|4.697492|3.955346|4.199546|5.662444|8.861477|17.584893|12.576100|7.019010|4.643936|4.528280|6.087583|9.420676|0.049465|0.045818|0.043425|0.043166|0.086770|0.140291|0.089771|0.167403|0.230355|0.143773|0.111370|0.090112|0.096900|0.144207|0.500000| |1.469820|2.105444|1.474767|2.117972|2.345273|1.714513|13.496274|2.258155|2.558178|3.099619|3.203397|2.673373|2.306829|2.742518|3.504566|3.296425|3.961823|6.845097|6.446484|5.738504|6.314295|4.480225|3.991458|4.456252|6.276751|8.884506|17.608012|12.712448|5.645293|4.373588|4.817456|7.639776|14.104724|0.042759|0.039860|0.038145|0.038021|0.067550|0.096400|0.072581|0.116427|0.191736|0.125676|0.104499|0.090849|0.104017|0.168608|0.302769|0.500000| |1.634652|2.364828|1.637347|2.371442|2.693642|1.972465|16.086411|2.638724|3.233697|3.829164|3.367423|2.714108|2.480168|2.844300|3.500274|3.471571|3.565481|5.461388|5.908474|4.051381|4.786628|3.969380|3.911811|4.620830|6.115604|6.340141|6.822838|12.381666|17.587666|8.687472|5.735649|5.965651|7.911168|0.046919|0.045220|0.041742|0.041664|0.091973|0.134577|0.068832|0.128373|0.107323|0.092644|0.092937|0.091358|0.113986|0.179575|0.177696|0.139602|0.500000| |1.730999|2.468817|1.682173|2.403321|2.741492|2.053618|17.223718|2.852740|3.486290|4.132231|3.647149|2.944105|2.688633|3.068959|3.726648|3.775526|3.798703|5.920741|5.834726|3.854957|4.051078|3.271973|3.075370|3.430285|4.372375|5.005260|6.623739|12.358901|17.487326|8.708987|6.493874|6.475713|8.423122|0.050391|0.047889|0.043976|0.042760|0.097682|0.141618|0.074324|0.118887|0.108606|0.087966|0.079863|0.073574|0.085514|0.127002|0.200337|0.143110|0.301324|0.500000| |1.399244|1.989959|1.382481|1.974493|2.196802|1.621437|13.042350|2.039842|2.377895|2.639810|2.403117|2.057216|1.929034|2.295959|2.843155|2.860499|2.514811|4.074251|3.902470|2.830818|3.269332|2.905389|3.038734|3.718602|4.613788|4.184973|4.588807|9.157598|8.835435|17.566813|8.822405|6.534174|8.511533|0.040026|0.039036|0.036081|0.035640|0.068378|0.085460|0.053365|0.081911|0.078073|0.068346|0.069899|0.074338|0.101227|0.158913|0.112954|0.110451|0.223252|0.174704|0.500000| |1.505332|2.120310|1.453128|2.057064|2.304491|1.729246|14.250897|2.214371|2.594419|2.831882|2.530462|2.175484|2.066427|2.449315|2.990922|3.083066|2.571827|4.166986|3.846731|2.680571|2.915110|2.552192|2.559816|2.949187|3.562939|3.546480|4.142301|7.954143|8.701672|17.599756|8.661759|5.729059|7.591533|0.043345|0.042227|0.038573|0.037359|0.075407|0.091226|0.055875|0.079979|0.075002|0.064724|0.063016|0.063338|0.078541|0.112300|0.110651|0.100666|0.191851|0.219429|0.302172|0.500000| |1.277373|1.793124|1.245817|1.760161|1.934826|1.439077|11.487365|1.789657|2.019991|2.232481|2.118400|1.858548|1.733637|2.105859|2.629640|2.638173|2.260813|3.814512|3.392584|2.547127|2.824881|2.481695|2.538889|3.019139|3.722290|3.549753|4.232489|8.210339|5.717831|8.611268|17.614563|8.854240|12.488431|0.036809|0.035501|0.033181|0.032377|0.056779|0.069428|0.049233|0.068240|0.073663|0.062282|0.060754|0.062755|0.082024|0.126335|0.103113|0.114373|0.128759|0.133281|0.219832|0.188934|0.500000| |1.396826|1.949598|1.340372|1.884149|2.085711|1.568934|12.749890|2.003257|2.269408|2.517652|2.382658|2.081892|1.939179|2.340097|2.895420|2.940007|2.523026|4.264805|3.700038|2.699329|2.861394|2.443644|2.405164|2.753277|3.405398|3.519926|4.538042|8.855453|6.505780|8.717863|17.537408|9.002782|11.995794|0.040604|0.038807|0.036093|0.034710|0.063447|0.078130|0.054856|0.073293|0.079542|0.065193|0.060521|0.059236|0.072523|0.108139|0.118061|0.121439|0.133693|0.172013|0.174406|0.217765|0.302499|0.500000| 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