Version2.0 2020-08-10T19:44:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 23-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H](CNC(=O)Cn2c(=O)c3ccccc3c(n2)C)[NH+](C)C C67268146 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H](CNC(=O)Cn2c(=O)c3ccccc3c(n2)C)[NH+](C)C C01[X(C22H27N4O2)] 159 C1 474 O=C(Cn1nc(C)c2c(c1=O)cccc2)NC[C@H](c1ccc(cc1)C)[NH+](C)C O=C(Cn1nc(C)c2c(c1=O)cccc2)NC[C@H](c1ccc(cc1)C)[NH+](C)C C[NH+](C)[C@H](CNC(=O)CN1N=C(C)c2ccccc2C1=O)c3ccc(C)cc3 InChIKey=OUGMGFTTXIMDKN-HXUWFJFHSA-O InChI=1S/C22H26N4O2/c1-15-9-11-17(12-10-15)20(25(3)4)13-23-21(27)14-26-22(28)19-8-6-5-7-18(19)16(2)24-26/h5-12,20H,13-14H2,1-4H3,(H,23,27)/p+1/t20-/m1/s1 InChI=1/C22H26N4O2/c1-15-9-11-17(12-10-15)20(25(3)4)13-23-21(27)14-26-22(28)19-8-6-5-7-18(19)16(2)24-26/h5-12,20H,13-14H2,1-4H3,(H,23,27)/p+1/t20-/m1/s1/fC22H27N4O2/h23,25H/q+1 Cc1ccc(cc1)[C@@H](CNC(=O)Cn2c(=O)c3ccccc3c(n2)C)[NH+](C)C C01[X(C22H27N4O2)] 159 C01 474 O=C(Cn1nc(C)c2c(c1=O)cccc2)NC[C@H](c1ccc(cc1)C)[NH+](C)C O=C(CN1N=C(C)[C]2[C]([CH][CH][CH][CH]2)C1=O)NC[C@H]([C]1[CH][CH][C]([CH][CH]1)C)[NH](C)C C[C]1[CH][CH][C]([CH][CH]1)[C@@H](CNC(=O)CN2N=C(C)[C]3[CH][CH][CH][CH][C]3C2=O)[NH](C)C InChIKey=WQNXGUKSGCYVAI-HXUWFJFHSA-N InChI=1S/C22H27N4O2/c1-15-9-11-17(12-10-15)20(25(3)4)13-23-21(27)14-26-22(28)19-8-6-5-7-18(19)16(2)24-26/h5-12,20,25H,13-14H2,1-4H3,(H,23,27)/t20-/m1/s1 InChI=1/C22H27N4O2/c1-15-9-11-17(12-10-15)20(25(3)4)13-23-21(27)14-26-22(28)19-8-6-5-7-18(19)16(2)24-26/h5-12,20,25H,13-14H2,1-4H3,(H,23,27)/t20-/m1/s1/f/h23H 2626.3895668398 -1216.1821118 1-A 13027.9034 101 373 474 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.63408 -20.61975 -15.83607 -15.72734 -15.69750 -15.69454 -11.45599 -11.44597 -11.42478 -11.41835 -11.41660 -11.39544 -11.37105 -11.37060 -11.35777 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0.6965 0.2490 0.3340 0.5745 0.0934 0.0742 0.1704 0.1934 0.8571 0.0763 0.8550 0.1852 0.8561 0.4763 0.7890 0.6979 0.4232 0.8571 0.6896 0.4808 0.8312 0.7375 0.8527 0.7448 0.6158 0.2945 0.8571 0.2940 0.2465 0.3857 0.3542 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 6 6 6 6 6 6 6 1 6 7 6 8 6 7 6 8 6 6 6 6 6 6 6 7 6 7 1 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 12.00000 1.00783 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 1.00783 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 6305.2890 18934.3247 20834.0630 0.99999 0.00430 0.00190 -0.00424 0.99956 -0.02940 -0.00202 0.02939 0.99957 1 0.01374 0.00457 0.00416 0.28623 0.09532 0.08662 28.65 31.26 35.83 39.81 58.83 75.75 91.22 104.67 117.36 141.36 187.08 225.62 243.16 271.91 278.54 300.57 319.03 356.60 367.41 387.51 399.25 417.80 464.57 497.04 498.67 536.74 547.22 573.98 591.34 620.94 660.20 679.34 682.46 713.23 729.59 739.95 748.13 766.50 781.87 828.73 853.33 878.66 915.60 986.92 1007.09 1031.93 1058.91 1113.51 1123.21 1155.06 1161.54 1209.55 1247.80 1265.17 1279.57 1287.25 1312.86 1366.18 1392.99 1405.57 1431.42 1444.63 1504.13 1538.71 1569.26 1571.82 1579.20 1593.17 1602.03 1606.44 1617.16 1621.47 1631.86 1647.20 1656.18 1678.73 1681.13 1694.15 1714.00 1731.53 1740.02 1763.61 1813.44 1823.57 1846.18 1874.68 1888.69 1896.95 1900.32 1905.98 1931.33 1949.69 1960.79 1971.98 2032.65 2046.15 2095.70 2109.73 2132.91 2153.89 2173.49 2212.31 2234.46 2248.19 2255.86 2258.41 2260.82 2275.54 2284.23 2296.86 2326.61 2337.97 2340.02 2341.24 2341.54 2343.91 2347.67 2355.67 2356.20 2365.64 2371.03 2388.27 2402.25 2436.85 2447.74 2540.61 2545.25 2599.41 2616.24 2663.67 2731.41 2814.17 4623.70 4629.21 4685.07 4700.93 4705.69 4710.84 4711.12 4733.74 4745.92 4778.27 4791.91 4794.44 4797.12 4834.32 4840.53 4853.10 4853.47 4856.25 4859.22 4874.02 4880.89 4882.51 4883.39 4904.99 4915.80 5348.18 5578.84 0.502623 0.527580 0.528525 0.444584 -1215.679488 -1215.654531 -1215.653587 -1215.737527 2.815361D-04 MUNgauss RevisionA2.0 retrievium 10-Aug-2020 DUDE Cc1ccc(cc1)[C@@H](CNC(=O)Cn2c(=O)c3ccccc3c(n2)C)[NH+](C)C C67268146 RHF 6-31G(d) (6D,10F) C1 379.213401 |X|Y|Z| 37.166452 49.097382 96.103753 55.973603 21 6 7 18 3 |36.858105| |12.617458|36.858105| |7.533053|13.746051|36.858105| |4.998695|7.873579|13.711426|36.858105| |4.410024|6.779512|7.913441|13.746274|36.858105| |5.019853|7.890044|6.911156|7.962729|13.645902|36.858105| |7.554933|13.645668|7.988106|6.890345|7.898974|13.817242|36.858105| |3.265428|4.405568|5.021529|7.583478|12.579914|7.504823|5.005205|36.858105| |3.033609|3.973363|4.797960|7.374021|8.912515|5.578167|4.188178|17.668993|0.500000| |2.900011|3.728722|4.028943|5.345692|7.487760|6.024539|4.297419|12.304101|0.247502|36.858105| |2.785027|3.494919|3.927630|5.116278|5.999481|4.756864|3.757272|7.826219|0.212463|13.228126|53.358707| |2.438312|2.970384|3.406596|4.368370|4.720742|3.740416|3.083703|6.250741|0.201691|7.934217|19.083663|36.858105| |2.244773|2.710885|3.075728|3.922137|4.318565|3.460784|2.839804|6.095637|0.204727|7.091726|11.594697|15.869992|73.516695| |2.295291|2.710095|3.129494|3.792968|3.777299|3.107579|2.710586|4.390918|0.139485|5.052850|10.630855|12.532506|14.166580|36.858105| |2.157396|2.511543|2.948936|3.535884|3.376640|2.764907|2.456952|3.866461|0.128546|4.023528|7.248202|7.794782|11.984674|13.206297|53.358707| |2.339656|2.749703|3.350092|4.099086|3.714513|2.944539|2.628819|4.162181|0.145782|3.954848|6.692142|6.504735|10.602445|7.936487|19.165376|36.858105| |2.734584|3.324167|4.244025|5.545793|4.767537|3.565161|3.138717|5.232339|0.193233|4.643126|7.794251|6.914992|10.726521|7.157006|11.623864|15.660310|73.516695| |2.096064|2.395936|2.873767|3.355926|3.028104|2.484394|2.270535|3.308149|0.111863|3.090478|4.881345|4.436028|7.827665|5.125648|10.897915|12.995866|14.249366|36.858105| |2.155717|2.443663|2.964180|3.395233|2.975012|2.449770|2.274546|3.144205|0.105397|2.814240|4.248502|3.628340|6.470013|3.907448|7.080375|7.687270|11.837222|13.662740|36.858105| |1.911425|2.117069|2.499324|2.768999|2.473158|2.100510|1.977202|2.591993|0.084001|2.353489|3.482629|2.918629|5.278112|3.128231|5.433796|5.099907|8.001042|7.961260|13.856892|36.858105| |1.702417|1.870269|2.161904|2.380582|2.179945|1.881540|1.769384|2.311821|0.073781|2.163343|3.222746|2.731373|4.972853|2.990832|5.241031|4.508840|6.746829|6.904146|7.941824|13.646267|36.858105| |1.671847|1.847456|2.124537|2.364470|2.198080|1.895324|1.766205|2.371185|0.075765|2.277500|3.466445|3.021240|5.498923|3.429732|6.303304|5.090014|7.092324|7.924951|6.839837|7.905377|13.839947|36.858105| |1.829592|2.054980|2.391472|2.724184|2.532732|2.143388|1.971075|2.778135|0.090584|2.694819|4.235867|3.851813|6.924206|4.583051|9.548375|7.733347|9.414973|13.684714|7.859929|6.835083|7.931342|13.626069|36.858105| |1.754534|1.971209|2.255606|2.570548|2.454298|2.101247|1.919551|2.732144|0.087430|2.777033|4.486357|4.206919|7.475894|5.374613|11.415335|6.830062|8.463981|7.781854|5.089613|4.481279|5.058457|7.565184|13.001317|36.858105| |1.873862|2.131491|2.439783|2.824709|2.733704|2.322007|2.094583|3.093112|0.099016|3.257323|5.535620|5.505845|9.326509|8.047182|19.085974|7.872605|9.661380|6.828290|4.552924|3.805978|3.975131|5.194161|7.969075|15.031121|53.358707| |1.545308|1.710087|1.917462|2.140614|2.070104|1.816802|1.675148|2.283070|0.071034|2.348660|3.695811|3.318926|5.974157|4.034552|7.128465|4.438035|6.155264|4.964058|3.801987|3.643193|4.340674|6.323820|7.360120|12.660007|10.962782|36.858105| |2.913293|3.752953|4.032646|5.347384|7.622812|6.158916|4.357099|12.409889|0.255288|7.415314|6.910112|4.546739|8.749909|3.403770|4.283406|3.372864|7.061179|2.866241|2.796370|2.385152|2.142512|2.170905|2.471201|2.411934|3.607902|2.067224|53.358707| |3.019252|3.880558|3.936634|4.925368|7.244189|6.979951|4.784616|9.168082|0.182579|6.687521|6.182865|3.918689|7.283047|3.031955|3.769986|2.921110|6.031552|2.513620|2.461605|2.133161|1.931290|1.954105|2.200437|2.163535|3.228528|1.882505|25.746743|0.500000| |2.946142|3.733507|4.114907|5.297745|6.412919|5.211362|4.084559|7.640719|0.203883|4.912361|5.348158|3.731303|7.161278|2.994507|3.970168|3.262874|6.850769|2.893182|2.955045|2.542299|2.235343|2.206340|2.462572|2.325835|3.378581|1.994700|17.334696|0.260745|36.858105| |2.376845|2.913524|3.107678|3.903629|4.941938|4.270631|3.288641|7.492693|0.190865|6.434390|6.369133|4.537921|9.633718|3.356013|4.258388|3.238074|6.396815|2.799107|2.672693|2.316448|2.128628|2.187896|2.484862|2.469759|3.691615|2.144017|17.290636|0.258543|7.781533|36.858105| |17.556716|8.856170|5.861923|4.286262|3.958508|4.606575|6.740791|3.021451|0.077726|2.668734|3.421490|2.225191|3.705245|2.079187|2.680735|2.131787|4.377140|1.935437|2.002842|1.796815|1.604919|1.569089|1.701888|1.629515|2.352586|1.445852|3.823120|0.081987|2.892159|2.302442|0.500000| |17.556109|8.859841|5.890684|4.296497|3.959821|4.603754|6.715338|3.025554|0.077614|2.799997|3.698378|2.358255|3.828118|2.239455|2.828523|2.212793|4.534722|1.975803|2.003787|1.784236|1.608028|1.592663|1.744715|1.693327|2.474140|1.501483|3.655072|0.077810|2.642129|2.233505|0.302281|0.500000| |17.598003|8.842115|7.225107|4.734472|3.947242|4.170439|5.568041|3.017457|0.080224|2.676313|3.585999|2.357485|3.857424|2.264655|2.944879|2.372378|4.915266|2.151463|2.240577|1.993765|1.764658|1.719533|1.871762|1.777812|2.563394|1.563934|3.653485|0.075656|2.762300|2.223608|0.301712|0.301769|0.500000| |6.970620|8.928856|17.720562|8.947644|5.647987|4.972178|5.662329|4.105362|0.114439|3.411477|4.701709|3.119929|5.024597|2.984352|3.937042|3.339476|7.419831|2.937681|3.099969|2.626785|2.247922|2.182427|2.434231|2.262287|3.284403|1.923540|4.630909|0.091108|3.557873|2.735503|0.151232|0.152415|0.221301|0.500000| |4.084050|5.625764|8.916500|17.719934|8.915129|5.649880|4.961443|7.038117|0.227345|5.062286|7.091183|4.808319|7.680557|4.271059|5.655776|5.150761|13.631062|4.108950|4.199129|3.277445|2.749652|2.720517|3.188334|2.937295|4.378089|2.385390|6.818899|0.121775|5.128987|3.862030|0.099264|0.099656|0.112895|0.216676|0.500000| |4.107961|5.638224|4.967724|5.636763|8.824606|17.656071|9.001608|6.894557|0.139367|6.211565|6.229113|3.589889|6.029726|2.937242|3.525628|2.694507|5.629105|2.291647|2.237275|1.941043|1.761891|1.786371|2.012352|1.997621|3.010013|1.747137|8.662636|0.224990|4.976434|4.561728|0.108834|0.108895|0.096149|0.107781|0.123687|0.500000| |7.015351|8.891396|5.664827|4.960506|5.633954|8.965204|17.710153|4.086103|0.096266|3.708208|4.423920|2.703722|4.472062|2.403233|2.969068|2.299596|4.757379|2.015415|2.015688|1.778935|1.608719|1.607528|1.777939|1.742745|2.577000|1.540842|5.117033|0.117565|3.520806|2.961709|0.191799|0.190507|0.140555|0.124239|0.107659|0.218666|0.500000| |3.068952|3.946122|4.026112|5.020266|7.188345|6.870060|4.806648|8.730459|0.175300|17.629832|12.569958|5.807416|9.135985|4.233544|4.630680|3.333310|6.861155|2.682403|2.479372|2.109733|1.948306|2.039188|2.373138|2.448114|3.860961|2.112279|8.486696|0.177705|4.329346|5.287433|0.078376|0.083903|0.076981|0.093329|0.124592|0.214241|0.117587|0.500000| |2.514106|3.118990|3.321456|4.216122|5.508215|4.741102|3.562203|8.674863|0.201122|17.711651|12.749926|7.428397|13.847049|4.715716|5.227225|3.676279|7.280304|2.950136|2.667181|2.264866|2.112551|2.240954|2.636083|2.755215|4.385279|2.364518|9.688840|0.177375|4.667785|7.659007|0.065408|0.067647|0.064932|0.080311|0.114307|0.142004|0.088447|0.302682|0.500000| |3.037229|3.823449|4.322892|5.471690|6.032953|4.896870|4.018875|6.589857|0.176755|9.062255|26.052974|9.360116|10.920696|7.412429|6.902208|4.757345|10.056646|3.485019|3.064946|2.513968|2.316761|2.477823|3.011513|3.167275|5.279303|2.618186|5.960772|0.112536|3.563379|3.888741|0.074564|0.083275|0.079954|0.105688|0.151701|0.126113|0.095741|0.224475|0.182186|0.500000| |2.491591|2.939248|3.419405|4.062174|3.916804|3.248002|2.889616|4.254077|0.130756|4.834116|10.255218|8.832704|10.442803|17.593389|12.458239|6.970359|12.384267|4.672991|3.729583|2.995521|2.825450|3.165294|4.098955|4.580837|8.483650|3.559093|4.400252|0.081532|2.870543|3.066233|0.061729|0.068056|0.068599|0.091235|0.125884|0.083756|0.070794|0.117981|0.119004|0.238065|0.500000| |2.070278|2.398746|2.693057|3.163885|3.214424|2.752266|2.425492|3.712112|0.113245|4.412609|8.622419|8.959975|12.049357|17.646225|12.704349|5.821520|9.127861|4.310858|3.348031|2.797052|2.758654|3.214989|4.176958|5.263730|11.025170|4.224694|4.106513|0.076032|2.647038|3.066512|0.052521|0.056693|0.056590|0.071528|0.095947|0.073848|0.060862|0.106427|0.120182|0.165913|0.300829|0.500000| |2.417017|2.773277|3.464412|4.007407|3.376954|2.727784|2.539369|3.481295|0.117978|2.996692|4.451727|3.681000|6.483675|3.813887|6.476616|7.132707|13.208809|8.932201|17.759593|8.906217|5.634033|4.938280|5.626448|4.158942|5.402381|3.206691|4.172953|0.074603|3.320969|2.835111|0.062141|0.061514|0.070184|0.101871|0.143269|0.068022|0.061712|0.073375|0.077425|0.089945|0.103617|0.089197|0.500000| |1.903065|2.085761|2.452011|2.666404|2.367685|2.032100|1.934298|2.438296|0.077913|2.187478|3.175949|2.595666|4.692599|2.722675|4.519765|4.137232|6.902688|5.651094|8.948187|17.730926|8.886890|5.639529|4.933408|3.577209|4.281006|3.034217|3.103108|0.057069|2.478750|2.194096|0.050039|0.049054|0.055498|0.072298|0.086601|0.052065|0.048501|0.055028|0.058360|0.063969|0.073419|0.068045|0.213883|0.500000| |1.577240|1.713431|1.955995|2.123002|1.956658|1.713333|1.623244|2.059747|0.064712|1.933633|2.844799|2.371390|4.326171|2.565871|4.325506|3.594574|5.573515|4.968925|5.655121|8.893686|17.727177|8.968744|5.644450|4.107321|4.512423|3.796596|2.636140|0.048938|2.029309|1.930654|0.041563|0.041464|0.045467|0.056574|0.066979|0.044784|0.041306|0.048857|0.052688|0.056921|0.067855|0.066779|0.123981|0.214930|0.500000| |1.535004|1.682928|1.907908|2.103318|1.980450|1.732201|1.619189|2.135832|0.067138|2.083561|3.156418|2.728118|4.977998|3.095346|5.462788|4.131875|5.926530|5.633936|4.937869|5.638266|8.971913|17.756026|8.859652|6.906433|6.453023|7.137056|2.687734|0.049807|1.991602|2.010955|0.040166|0.040870|0.043736|0.054234|0.066035|0.045725|0.041266|0.052266|0.057466|0.062658|0.079394|0.083165|0.107326|0.124280|0.216969|0.500000| |1.499787|1.642830|1.839109|2.022398|1.934513|1.710590|1.596022|2.092344|0.064577|2.135827|3.340585|2.912297|5.146290|3.532408|6.063475|3.961834|5.634027|4.544409|3.640600|3.608063|4.415088|6.355173|6.584029|8.870613|8.400948|17.558463|2.581834|0.048336|1.846671|1.942047|0.038970|0.040545|0.042427|0.051761|0.062420|0.045526|0.040897|0.054002|0.059130|0.066848|0.090220|0.101357|0.085293|0.084205|0.109925|0.214138|0.500000| |1.514858|1.675882|1.861417|2.075334|2.032982|1.799219|1.655071|2.250582|0.069107|2.371314|3.760547|3.370572|6.012578|4.142442|6.831190|4.029624|5.751306|4.167895|3.258463|3.070286|3.501013|4.682490|5.490741|8.974602|10.639065|17.636902|2.767478|0.051752|1.931417|2.122921|0.039352|0.041151|0.042357|0.051493|0.063446|0.048410|0.042470|0.059559|0.066820|0.073893|0.100806|0.127634|0.078943|0.072808|0.086808|0.141325|0.300602|0.500000| |1.472655|1.627816|1.816890|2.029338|1.976479|1.740352|1.601669|2.194470|0.068241|2.236180|3.434914|3.063295|5.698210|3.526410|6.062071|3.967309|5.645566|4.547917|3.640666|3.605641|4.409763|6.346858|6.586743|8.872620|8.396707|17.558604|2.759235|0.051216|1.971952|2.130506|0.038529|0.039623|0.041321|0.050493|0.062583|0.046714|0.041042|0.055813|0.063252|0.066831|0.086133|0.101477|0.085284|0.084131|0.109745|0.213484|0.301594|0.300625|0.500000| |2.725070|3.388628|3.887117|5.062733|5.575857|4.345624|3.541215|6.925207|0.219975|4.628121|5.358684|3.957675|7.829687|3.197185|4.385866|3.709681|7.775091|3.327574|3.438273|2.919029|2.531310|2.483808|2.783265|2.579365|3.709621|2.182664|12.352128|0.181950|17.643750|7.174288|0.073482|0.068112|0.072637|0.096690|0.148460|0.113218|0.084972|0.109286|0.123972|0.098346|0.083668|0.077681|0.108138|0.078654|0.063234|0.061568|0.055821|0.058064|0.060251|0.500000| |2.668969|3.256403|3.448539|4.144461|4.882762|4.384125|3.591551|5.567227|0.146797|4.083409|4.504431|3.171922|6.144965|2.602628|3.466820|2.797293|5.671287|2.546275|2.609830|2.306942|2.055628|2.022769|2.219321|2.105843|3.027193|1.839203|12.314594|0.226798|17.649614|7.166402|0.074338|0.067028|0.069448|0.084560|0.110950|0.121960|0.089515|0.103550|0.112393|0.083885|0.069176|0.065300|0.080040|0.063055|0.052492|0.051260|0.047433|0.049590|0.050937|0.299066|0.500000| |3.464143|4.529132|5.031527|6.420823|7.477537|6.088952|4.881622|7.140802|0.185254|4.576429|5.128300|3.485490|6.388397|2.882160|3.814166|3.174306|6.814248|2.817971|2.929253|2.516832|2.188248|2.139205|2.377560|2.229011|3.230170|1.910904|12.263793|0.222019|17.702883|5.628945|0.094870|0.083947|0.089590|0.117669|0.162744|0.150262|0.113220|0.116641|0.114934|0.098629|0.078779|0.070357|0.093403|0.068907|0.055292|0.053513|0.049640|0.051307|0.052087|0.299196|0.299256|0.500000| |2.286353|2.773986|2.885927|3.532036|4.518290|4.139016|3.193366|6.506078|0.156714|6.761919|6.447986|4.431251|9.167997|3.276303|4.030648|2.964500|5.763534|2.552655|2.404442|2.102294|1.959516|2.034448|2.308931|2.344981|3.543687|2.064169|12.223479|0.231793|5.680252|17.689315|0.061493|0.060624|0.058983|0.070510|0.095258|0.128968|0.081535|0.162156|0.252161|0.108618|0.083434|0.085228|0.070024|0.055207|0.049615|0.052497|0.051958|0.057559|0.056762|0.143278|0.150892|0.126551|0.500000| |2.223751|2.669911|2.816473|3.417911|4.140956|3.720408|2.983642|5.539702|0.146539|4.739349|5.044946|3.661339|7.649500|2.864459|3.736636|2.867985|5.575942|2.568060|2.502578|2.213969|2.038634|2.071274|2.304769|2.265605|3.313732|1.995582|12.305083|0.213028|7.610499|17.658460|0.060739|0.057829|0.058021|0.069841|0.094067|0.110090|0.075930|0.115143|0.149365|0.088874|0.073308|0.073599|0.073600|0.058946|0.051887|0.053147|0.050502|0.054613|0.055686|0.194385|0.232858|0.149888|0.301243|0.500000| |2.275902|2.773034|3.041820|3.872255|4.651288|3.839474|3.030330|7.215423|0.214210|6.410344|6.924512|5.385363|12.687924|3.853718|4.973617|3.772955|7.329052|3.223859|3.014174|2.577779|2.374508|2.468886|2.850152|2.840592|4.273417|2.427593|12.290603|0.181860|6.670057|17.654986|0.060604|0.059479|0.060001|0.075666|0.111475|0.109402|0.075210|0.137392|0.215602|0.114081|0.094477|0.096889|0.087723|0.066798|0.059181|0.062639|0.060249|0.066505|0.067202|0.199666|0.162395|0.139606|0.299773|0.297954|0.500000| 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