Version2.0 2020-07-20T11:22:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)N3C(=O)[C@H]4C=CC=CC4=NC3=O C63375196 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)N3C(=O)[C@H]4C=CC=CC4=NC3=O C01[X(C25H25N5O6)] 177 C1 590 C[C@@H](C(=O)N[C@@H](C(=O)[O-])C)NC(=O)[C@@H](N1C(=O)N=C2[C@@H](C1=O)C=CC=C2)CC1=c2ccccc2=[NH+]C1 C[C@@H](C(=O)N[C@@H](C(=O)[O-])C)NC(=O)[C@@H](N1C(=O)N=C2[C@@H](C1=O)C=CC=C2)CC1=c2ccccc2=[NH+]C1 C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=C2C=CC=CC2=[NH+]C1)N3C(=O)N=C4C=CC=C[C@@H]4C3=O)C([O-])=O InChIKey=ZJXUZSGUTJECQL-ACNBBOPNSA-N InChI=1S/C25H25N5O6/c1-13(21(31)28-14(2)24(34)35)27-22(32)20(11-15-12-26-18-9-5-3-7-16(15)18)30-23(33)17-8-4-6-10-19(17)29-25(30)36/h3-10,13-14,17,20H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H,34,35)/t13-,14+,17-,20-/m0/s1 InChI=1/C25H25N5O6/c1-13(21(31)28-14(2)24(34)35)27-22(32)20(11-15-12-26-18-9-5-3-7-16(15)18)30-23(33)17-8-4-6-10-19(17)29-25(30)36/h3-10,13-14,17,20H,11-12H2,1-2H3,(H,27,32)(H,28,31)(H,34,35)/t13-,14+,17-,20-/m0/s1/f/h26-28H C[C@@H](C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)N3C(=O)[C@H]4C=CC=CC4=NC3=O C01[X(C25H25N5O6)] 177 C01 590 C[C@@H](C(=O)N[C@@H](C(=O)[O-])C)NC(=O)[C@@H](N1C(=O)N=C2[C@@H](C1=O)C=CC=C2)CC1=c2ccccc2=[NH+]C1 O=C([C@@H](N1C(=O)N=[C]2[CH]=CC=C[C@@H]2C1=O)C[C]1[C]2[CH]=[CH][CH][CH][C]2NC1)N[C@H]([C]([NH][C@@H]([C]([O])[O])C)=O)C C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C[C]1CN[C]2[CH][CH]C=C[C]12)N3C(=O)N=C4C=CC=C[C@@H]4C3=O)[C]([O])[O] InChIKey=MLQBGSHWHHXNQR-ACNBBOPNSA-N InChI=1S/C25H25N5O6/c1-13(21(31)28-14(2)24(34)35)27-22(32)20(11-15-12-26-18-9-5-3-7-16(15)18)30-23(33)17-8-4-6-10-19(17)29-25(30)36/h3-10,13-14,17,20,26H,11-12H2,1-2H3,(H,27,32)(H,28,31)/t13-,14+,17-,20-/m0/s1 InChI=1/C25H25N5O6/c1-13(21(31)28-14(2)24(34)35)27-22(32)20(11-15-12-26-18-9-5-3-7-16(15)18)30-23(33)17-8-4-6-10-19(17)29-25(30)36/h3-10,13-14,17,20,26H,11-12H2,1-2H3,(H,27,32)(H,28,31)/t13-,14+,17-,20-/m0/s1/f/h27-28H 4017.8400025019 -1682.676974 1-A 17367.2496 129 461 590 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.57984 -20.56773 -20.53356 -20.49934 -20.43588 -20.43557 -15.65043 -15.64186 -15.59163 -15.58753 -15.54719 -11.41251 -11.39996 -11.35883 -11.35596 -11.34654 -11.34265 -11.32902 -11.31966 -11.31382 -11.30221 -11.30011 -11.28782 -11.27798 -11.26857 -11.26849 -11.26798 -11.26725 -11.26536 -11.26506 -11.26467 -11.25677 -11.24445 -11.20992 -11.20278 -11.17178 -1.46188 -1.43965 -1.40344 -1.36643 -1.35621 -1.32454 -1.31154 -1.26683 -1.24538 -1.21551 -1.19786 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1.96993 1.97670 1.98150 1.98486 1.99188 2.00016 2.01981 2.03146 2.03986 2.04356 2.05363 2.06383 2.07546 2.07881 2.09221 2.09877 2.10988 2.11839 2.12417 2.13632 2.13927 2.14309 2.14970 2.15449 2.16265 2.16325 2.17085 2.17724 2.19498 2.19700 2.20358 2.20840 2.21303 2.22026 2.22288 2.23148 2.24046 2.24333 2.24772 2.25925 2.26382 2.27081 2.27383 2.28480 2.28890 2.29691 2.30235 2.30879 2.31279 2.31804 2.32356 2.33768 2.33987 2.34629 2.35489 2.35925 2.36017 2.37142 2.38176 2.38474 2.39577 2.40816 2.41214 2.41633 2.42335 2.43192 2.44492 2.44832 2.45966 2.46846 2.47575 2.48224 2.48630 2.49415 2.50161 2.50597 2.51321 2.51718 2.53176 2.54969 2.56096 2.56503 2.57487 2.57950 2.58592 2.59522 2.62660 2.63012 2.65298 2.65544 2.66736 2.67448 2.69170 2.70058 2.71135 2.71335 2.72283 2.73849 2.74339 2.76213 2.77191 2.78462 2.79181 2.80659 2.81509 2.81704 2.82559 2.83085 2.84167 2.85084 2.85728 2.87621 2.89624 2.90059 2.91051 2.92703 2.94157 2.94385 2.95436 2.96284 2.97715 2.98085 2.99096 2.99631 3.00060 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43.5986 17.6261 11.6694 34.3134 130.1130 113.9656 59.7269 44.0859 387.1294 235.2017 29.6079 91.5150 14.9112 29.8833 10.2932 5.9108 204.1190 38.0178 20.6959 44.0317 4.0119 5.8303 5.4709 51.7952 186.6128 43.0239 244.2399 50.7286 377.9892 81.4329 56.5069 768.1917 373.6185 283.6461 446.4323 560.3986 93.9563 823.7227 310.2440 1.6780 101.0117 19.5855 28.7092 4.0254 49.1962 34.0620 22.1930 10.6061 6.3542 3.6323 13.8328 163.4429 44.3574 10.5360 8.5900 8.3678 13.9457 8.9129 9.7006 3.4123 3.8165 34.1053 43.6459 138.6162 2.5553 1.9628 2.2224 1.8322 5.9510 0.8269 4.1877 0.5542 1.3007 1.0536 0.7803 1.7475 0.5096 0.6199 4.4107 0.9946 0.9985 1.6143 3.3832 1.0847 1.7309 1.3362 2.4255 0.1326 5.0678 0.1344 0.4911 3.0997 1.6334 1.1532 1.2418 0.3966 0.5735 0.8333 2.4277 0.6810 0.5915 2.1270 2.8883 5.4861 3.2706 3.0176 1.7656 1.9994 3.6038 0.6328 3.1202 3.3574 5.5117 0.8649 5.6326 4.2926 5.6210 1.4814 2.4023 4.0022 5.4599 3.4170 1.8954 2.6211 23.0360 10.9087 4.9272 1.4754 0.1475 1.6388 4.7631 2.0743 5.0638 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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 1.00783 1.00783 1.00783 1.00783 13429.7951 19985.8265 29466.1378 0.99998 -0.00128 0.00568 0.00125 0.99999 0.00468 -0.00568 -0.00467 0.99997 1 0.00645 0.00433 0.00294 0.13438 0.09030 0.06125 23.88 32.09 39.72 50.20 58.32 76.14 88.64 93.42 105.63 118.70 125.31 147.63 152.61 163.56 195.22 205.07 228.51 243.88 247.63 257.43 284.61 327.18 343.46 352.14 364.79 372.89 383.48 395.69 463.15 469.05 478.03 516.57 539.35 542.19 548.87 589.78 609.16 630.00 663.92 688.11 696.45 721.92 735.38 750.18 799.79 810.40 821.56 828.56 856.28 866.03 870.49 913.79 976.20 993.23 1029.56 1032.61 1036.79 1055.07 1098.78 1132.26 1157.85 1169.23 1194.32 1197.61 1216.71 1231.58 1245.84 1270.44 1301.85 1312.67 1319.36 1342.52 1364.16 1375.86 1381.55 1384.58 1413.91 1435.80 1458.32 1481.66 1487.96 1522.50 1531.73 1548.04 1568.01 1614.21 1617.29 1642.40 1652.07 1654.09 1660.99 1684.16 1693.97 1720.88 1730.54 1747.99 1757.82 1782.87 1786.55 1801.35 1805.39 1822.87 1831.50 1863.13 1872.73 1894.34 1920.41 1926.18 1945.89 1952.26 1955.26 1991.25 2009.06 2041.09 2063.45 2080.34 2105.40 2112.45 2123.28 2156.31 2169.05 2178.17 2191.06 2213.01 2214.44 2239.28 2243.95 2257.90 2261.91 2276.61 2278.63 2294.27 2301.17 2329.32 2348.59 2351.08 2355.37 2357.89 2364.33 2448.15 2475.80 2485.53 2514.14 2581.98 2626.73 2658.43 2667.34 2719.76 2793.30 2810.92 2820.72 2892.45 4506.25 4610.51 4611.78 4632.69 4648.94 4694.00 4724.52 4734.06 4735.50 4752.88 4759.64 4777.59 4797.76 4801.58 4809.90 4851.95 4857.08 4877.87 4886.65 4902.62 4914.88 4927.91 5517.94 5546.03 5623.03 0.519990 0.550513 0.551458 0.455604 -1682.156984 -1682.126461 -1682.125516 -1682.221370 3.214959D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE C[C@@H](C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)N3C(=O)[C@H]4C=CC=CC4=NC3=O C63375196 RHF 6-31G(d) (6D,10F) C1 491.180484 |X|Y|Z| 98.905888 79.547818 35.452495 65.337986 21 6 7 18 3 |36.858105| |12.528735|36.858105| |8.868087|17.649776|0.500000| |7.488999|12.419434|0.243682|36.858105| |6.716037|8.029840|0.163876|15.831045|73.516695| |5.154052|7.837385|0.207483|14.160329|14.968861|53.358707| |3.813931|5.064325|0.132911|7.730907|11.790498|17.647716|36.858105| |3.800089|4.781946|0.118864|7.550593|13.865146|12.571503|17.686385|0.500000| |3.148527|3.898988|0.108266|5.260284|8.400759|10.530414|12.516068|0.245375|36.858105| |3.382896|4.510753|0.120606|5.788734|8.881234|10.852465|12.334319|0.245018|7.447795|36.858105| |3.161394|4.209245|0.120208|4.894853|7.246366|9.209029|8.085472|0.163335|6.515081|15.326327|73.516695| |3.186721|4.079281|0.104861|5.053655|8.434305|8.010709|7.993827|0.213146|5.394505|15.430935|15.264897|73.516695| |7.699074|13.018534|0.258117|8.079525|11.249334|8.451482|4.659495|0.123545|3.508369|4.723945|7.835619|8.093915|53.358707| |5.422007|7.695651|0.209947|5.535587|7.953100|6.879044|4.039395|0.103359|3.191980|4.430985|7.973217|7.547199|19.343408|36.858105| |4.959780|6.651928|0.217282|4.773690|6.803339|6.274198|3.654329|0.091430|3.042186|3.925865|7.479545|6.428411|11.507292|15.872890|73.516695| |3.951428|4.988638|0.132042|4.254842|6.626146|5.514049|3.605138|0.094363|2.881001|4.264651|7.635632|7.866774|10.644209|12.359077|14.241555|36.858105| |3.952161|4.716110|0.118249|4.107183|6.728047|5.094382|3.395632|0.092292|2.704913|3.908031|6.659695|7.544593|10.065078|8.828157|10.632694|17.637765|0.500000| |3.432829|4.458494|0.119687|4.280717|6.645598|6.033934|4.242890|0.108192|3.323051|5.693144|10.415834|10.868699|8.387178|7.758475|10.673544|12.388205|0.245428|36.858105| |2.745005|3.338923|0.089654|3.314297|5.415185|4.686131|3.510321|0.092193|2.886510|4.686230|8.497161|9.628522|5.791483|4.934659|7.450571|7.316396|0.182600|12.822226|36.858105| |2.394687|2.876286|0.078199|2.963317|4.894150|4.336785|3.419869|0.089380|2.914530|4.690076|8.702586|9.711761|4.678038|3.813200|6.062778|4.890162|0.125003|7.484800|13.951442|36.858105| |2.320545|2.813984|0.077763|2.993602|4.894964|4.597426|3.794714|0.096221|3.338951|5.472780|10.849452|10.705654|4.365679|3.475410|5.703560|4.046759|0.101797|5.960498|7.467091|13.278311|36.858105| |2.003629|2.363028|0.065416|2.523255|4.208833|3.843215|3.204220|0.082895|2.968988|4.269225|8.225757|8.226810|3.564973|2.786930|4.662176|3.160792|0.081741|4.204330|5.140615|7.986292|14.062048|36.858105| |1.818909|2.097357|0.057622|2.207045|3.744291|3.261104|2.660648|0.070700|2.464689|3.362837|6.229721|6.628864|3.182634|2.485107|4.147826|2.871718|0.076177|3.635031|4.664040|6.947850|7.893037|13.374085|36.858105| |1.841309|2.106548|0.057378|2.180130|3.720806|3.144714|2.508096|0.067511|2.271657|3.130443|5.684180|6.308552|3.264677|2.569929|4.235821|3.080734|0.083219|3.834796|5.308349|7.732055|6.611575|7.718454|13.916880|36.858105| |2.089415|2.422319|0.065545|2.475862|4.191009|3.536493|2.774176|0.074453|2.430422|3.545172|6.404974|7.304228|3.879452|3.111061|5.013239|3.944446|0.106380|5.132976|8.414160|13.306203|7.649569|6.826163|8.094412|13.592137|36.858105| |2.124924|2.425612|0.065012|2.422679|4.133738|3.360329|2.564078|0.069726|2.224118|3.163508|5.616184|6.492755|3.967245|3.203546|5.092495|4.242463|0.119356|5.079448|8.259095|8.425040|5.280520|4.642232|5.238130|7.711638|14.312828|53.358707| |1.952140|2.186157|0.058589|2.176060|3.750741|2.992677|2.275545|0.062397|2.001170|2.729323|4.825846|5.530472|3.523665|2.813197|4.526509|3.613690|0.103558|4.070151|5.823089|5.918066|4.227050|3.940926|4.619456|6.795634|9.212295|26.099485|0.500000| |2.490639|2.885064|0.076642|2.809831|4.735858|3.827639|2.835425|0.076779|2.388617|3.509956|6.198025|7.186478|4.959067|4.133178|6.318532|6.124024|0.175646|7.189652|12.704100|8.197406|5.090485|4.103298|4.155971|5.210210|8.348619|17.963035|0.244364|36.858105| |3.315120|3.895675|0.108375|3.299816|5.228447|4.347913|2.877600|0.075288|2.423428|3.318520|6.166175|6.010877|7.203131|7.836700|12.591978|12.918616|0.257425|7.370491|5.929640|4.265707|3.533801|2.873105|2.684311|2.918847|3.674237|5.543106|0.099393|5.689435|53.358707| |3.360332|3.693407|0.101587|3.040095|4.919881|3.873253|2.534987|0.067514|2.163572|2.795625|5.082889|5.058608|6.599224|6.479257|10.831524|7.964248|0.209692|5.017930|4.288781|3.314902|2.830036|2.389392|2.272311|2.467952|2.998160|4.578167|0.085731|4.424962|18.841288|36.858105| |3.784792|3.986187|0.105260|3.218298|5.310849|3.945345|2.558158|0.069360|2.161400|2.752837|4.863087|5.027832|7.253055|6.436563|9.974966|7.206394|0.223474|4.578151|3.882140|3.040205|2.622906|2.231153|2.125283|2.301252|2.768358|4.226954|0.079922|4.034820|11.515565|15.969447|73.516695| |2.767691|2.953980|0.083314|2.492138|4.068869|3.237101|2.148533|0.057129|1.889227|2.346021|4.328418|4.204678|4.862281|4.473820|8.213431|5.044336|0.132391|3.786152|3.462652|2.839774|2.473518|2.148986|2.073571|2.247931|2.653965|4.028835|0.077587|3.644058|10.595572|12.574066|14.266046|36.858105| |2.472780|2.632757|0.073263|2.286350|3.787364|2.984894|2.022033|0.054161|1.783934|2.226483|4.083034|4.053062|4.317403|3.840069|6.793156|4.563941|0.124489|3.591007|3.471561|2.865927|2.452456|2.153166|2.116842|2.335125|2.761582|4.306479|0.084512|3.859023|9.161591|9.132781|11.826367|17.400522|0.500000| |2.712911|2.761021|0.077684|2.311297|3.820243|2.957005|1.949884|0.052300|1.732810|2.071113|3.778860|3.692313|4.358771|3.768086|6.985036|3.904525|0.106653|3.035346|2.771940|2.344067|2.091676|1.848427|1.787580|1.918013|2.211479|3.315736|0.064834|2.897876|6.927189|7.558769|12.086235|12.665393|0.251732|36.858105| |2.434577|2.460728|0.070452|2.082936|3.439577|2.697591|1.783971|0.047661|1.612439|1.879485|3.459402|3.315690|3.739711|3.179470|6.088881|3.197674|0.085804|2.612256|2.407445|2.091460|1.902470|1.702831|1.647003|1.749397|1.981119|2.920887|0.057428|2.479220|5.452711|5.179466|8.345433|7.749161|0.175926|14.402705|36.858105| |2.244689|2.322707|0.067736|1.993148|3.261273|2.637244|1.755002|0.046417|1.603893|1.864180|3.490362|3.259875|3.492727|3.015458|5.942199|3.043630|0.079218|2.573136|2.392370|2.109889|1.938156|1.742749|1.682088|1.775173|1.995421|2.903011|0.056933|2.427509|5.249588|4.541356|6.923452|6.688003|0.157434|7.838151|12.973568|36.858105| |2.287901|2.439647|0.071749|2.104449|3.407095|2.826155|1.887594|0.049465|1.720884|2.040119|3.876857|3.557196|3.723881|3.321451|6.648892|3.432379|0.086570|2.926607|2.725847|2.393818|2.189315|1.952870|1.876330|1.981195|2.244911|3.251995|0.063145|2.735009|6.204098|5.038721|7.164983|7.503384|0.174687|6.651063|7.762509|14.301928|36.858105| |2.571008|2.810199|0.081909|2.400895|3.859347|3.212857|2.139075|0.055943|1.911001|2.355873|4.475447|4.141697|4.484755|4.207061|8.313513|4.588428|0.112476|3.720299|3.413421|2.880083|2.562815|2.232487|2.134450|2.280738|2.660469|3.914034|0.074754|3.432561|9.457505|7.658246|9.486673|12.631786|0.254123|7.500132|6.691042|7.879618|13.061349|36.858105| |2.572246|2.913489|0.085758|2.531522|4.019591|3.470161|2.329870|0.060128|2.078466|2.631898|5.120777|4.598180|4.688151|4.533802|9.047185|5.130593|0.118621|4.380201|4.022397|3.383886|3.003845|2.574231|2.430389|2.585077|3.051993|4.405639|0.082290|3.880654|10.759553|6.754475|8.477553|7.832865|0.186579|5.145531|4.647662|5.365227|8.068267|15.051453|53.358707| |2.809839|3.296554|0.095183|2.890381|4.561736|3.974257|2.685613|0.069120|2.332649|3.141208|6.106616|5.573995|5.600348|5.704726|10.537604|7.526028|0.159530|6.322466|5.657851|4.388895|3.708969|3.041981|2.836932|3.058191|3.792471|5.526496|0.099168|5.243465|18.374161|7.838011|9.602835|6.858058|0.172734|4.520551|3.850625|4.044910|5.220448|8.271673|18.693230|36.858105| |2.595701|3.089195|0.088928|2.828741|4.474971|4.007984|2.796479|0.071355|2.442427|3.397458|6.776439|6.061106|5.144868|4.971749|8.899334|6.593691|0.142699|6.990717|6.972201|5.562495|4.600766|3.678019|3.390320|3.652076|4.632179|6.464068|0.111997|5.941510|11.490826|5.460401|7.530694|4.862916|0.130976|3.539698|3.123572|3.308956|4.144090|5.667603|11.554281|16.016075|73.516695| |17.558527|8.853785|0.212175|6.751693|11.034812|6.731425|3.681941|0.101710|3.170759|3.150617|5.271817|5.186458|7.608680|4.323760|7.409335|3.291566|0.090338|2.975072|2.435969|2.175614|2.146216|1.878372|1.702952|1.707556|1.909790|2.617296|0.049322|2.209563|3.866225|2.861032|5.584117|2.438327|0.060965|2.412327|2.214441|2.067130|2.098551|2.310020|3.153379|2.488961|4.140343|0.500000| |17.573698|8.873716|0.214043|5.480352|8.755655|5.731373|3.245847|0.088647|2.746441|3.004144|5.128096|5.076554|9.509987|5.518448|9.398133|3.995085|0.110631|3.317442|2.671497|2.310079|2.211912|1.915473|1.753883|1.788778|2.034322|2.847459|0.053664|2.465758|4.762963|3.699353|7.548944|3.060840|0.074556|3.076913|2.752043|2.492760|2.505262|2.804243|3.732385|2.937644|4.706672|0.300183|0.500000| |17.607698|8.839970|0.173690|6.892984|13.009594|6.359751|3.677630|0.106336|3.004167|3.273111|5.289399|5.672380|9.441437|4.824181|7.480545|3.792434|0.110388|3.315779|2.710853|2.364796|2.269054|1.969629|1.804587|1.838922|2.086943|2.911824|0.054852|2.503363|4.289689|3.219158|6.603574|2.641501|0.066714|2.595549|2.308691|2.108650|2.139313|2.409218|3.267735|2.644133|4.373585|0.301931|0.299521|0.500000| |4.878756|7.627287|0.237295|9.498348|10.879944|25.982791|9.206999|0.182225|6.752150|7.627656|13.773024|9.703476|8.587243|5.634442|9.657594|4.352405|0.106734|4.794046|3.614035|3.327733|3.556763|2.931680|2.461027|2.365573|2.672820|3.440799|0.062220|2.896562|4.722483|3.032139|5.364518|2.540506|0.064418|2.295555|2.102352|2.079351|2.254294|2.572603|3.839428|3.233110|5.807409|0.128912|0.116322|0.118131|0.500000| |2.725944|3.274070|0.089826|4.242102|7.146272|7.620798|8.845579|0.211320|17.536099|6.742725|10.353835|9.467900|4.165743|2.826885|4.763491|2.645708|0.069768|3.092166|2.793257|2.903070|3.393041|3.110668|2.575039|2.335845|2.452123|3.015696|0.055567|2.330198|3.061861|2.008653|3.559136|1.767571|0.046839|1.619489|1.509010|1.503595|1.613323|1.786799|2.646672|2.181638|4.106080|0.075731|0.067030|0.073646|0.139888|0.500000| |3.019391|3.768918|0.109610|4.724487|7.222119|9.519562|8.841011|0.173425|17.587262|6.846179|12.737718|8.609753|4.638873|3.219178|5.625547|2.885941|0.073681|3.341084|2.888938|2.934345|3.422673|3.040368|2.491112|2.276059|2.428653|3.006252|0.055107|2.369230|3.359796|2.186910|3.828555|1.926574|0.050314|1.759759|1.648395|1.657173|1.790541|1.980837|2.960452|2.424524|4.541719|0.084536|0.074630|0.078302|0.196621|0.301475|0.500000| |3.207018|3.822824|0.105759|5.183643|8.574926|9.521263|8.826469|0.212052|17.551595|5.447089|8.643142|7.687076|4.491625|2.948869|5.038282|2.621114|0.069187|2.910270|2.536880|2.526871|2.815391|2.541341|2.165365|2.020422|2.154251|2.726395|0.050594|2.153025|3.038891|2.033149|3.648080|1.786877|0.046766|1.661964|1.553840|1.538517|1.634558|1.797828|2.626784|2.135102|3.913591|0.092581|0.076892|0.085056|0.164171|0.300407|0.299594|0.500000| |6.646290|9.065706|0.181123|7.558955|12.105503|7.738635|4.640003|0.129870|3.424176|4.762193|7.483194|8.742431|26.015219|9.415349|10.844171|7.497524|0.229673|6.174913|4.444479|3.558718|3.254711|2.663749|2.403074|2.491308|2.982335|4.200700|0.076127|3.889387|6.729848|4.564196|9.209054|3.364896|0.085443|3.021145|2.574048|2.385444|2.528088|3.037850|4.301270|3.811680|6.351461|0.138096|0.163349|0.192253|0.149787|0.084779|0.089950|0.089301|0.500000| |3.330706|4.409356|0.125353|4.246925|6.368512|6.384135|4.447559|0.107928|3.575224|6.119279|12.848468|10.426122|7.648326|7.273828|11.428912|8.747307|0.173360|17.664043|9.080081|6.928489|6.392083|4.418641|3.649132|3.679248|4.679284|5.947662|0.099462|5.540178|8.796076|4.501947|7.132322|3.584700|0.092890|2.898314|2.557334|2.581391|2.979503|3.728441|6.202029|6.399487|13.375699|0.081917|0.089418|0.086904|0.149917|0.091264|0.103565|0.085626|0.145278|0.500000| |3.701063|4.939550|0.126343|5.123422|8.014269|7.212559|5.244720|0.135733|3.827426|7.423612|11.900344|15.496755|9.245292|7.137130|9.488115|8.919717|0.218546|17.504435|9.312406|6.704110|5.820168|4.161121|3.546371|3.659375|4.719507|6.207254|0.103647|5.981049|7.476819|4.213832|7.297528|3.240763|0.085609|2.715808|2.358382|2.296910|2.550382|3.129910|4.819853|4.683654|8.901494|0.088858|0.095691|0.101199|0.151348|0.098574|0.103385|0.091868|0.204367|0.308426|0.500000| |2.538043|3.162971|0.088442|3.423877|5.454734|5.494846|4.613130|0.111610|4.015991|7.265355|16.319340|12.814961|4.833302|3.829752|6.329091|4.241531|0.103917|6.386803|6.633524|8.737953|17.669637|8.903407|5.584920|4.812349|5.503929|5.839269|0.098146|4.452301|4.892052|2.872130|4.753890|2.485771|0.067150|2.115380|1.929153|1.965773|2.218048|2.590786|4.138462|3.738164|8.055674|0.065401|0.066519|0.068095|0.120653|0.111505|0.116753|0.091181|0.098199|0.209848|0.180376|0.500000| |1.919641|2.255396|0.062913|2.435476|4.061624|3.769339|3.192791|0.081897|3.082317|4.145936|8.118936|7.626633|3.318158|2.563011|4.350825|2.805578|0.072516|3.615153|4.110057|5.644011|9.016491|17.757202|8.827869|5.582784|4.932844|5.009222|0.089741|3.357440|3.485467|2.165281|3.616580|1.965300|0.054312|1.713091|1.593140|1.635777|1.823233|2.053236|3.198272|2.711249|5.701347|0.050560|0.050783|0.052217|0.079844|0.091550|0.088739|0.072923|0.068301|0.107903|0.101123|0.213063|0.500000| |1.659332|1.890371|0.052061|1.992795|3.403603|2.939372|2.399630|0.064126|2.274595|2.936166|5.418224|5.681571|2.823245|2.184715|3.683260|2.471567|0.065993|3.021238|3.692158|4.990283|5.661049|8.866798|17.705399|9.064481|5.718775|5.703600|0.108162|3.401738|3.181272|2.018485|3.375833|1.867431|0.052997|1.630943|1.515913|1.551492|1.718981|1.925417|2.950714|2.469579|5.137328|0.043499|0.044483|0.045773|0.061357|0.066650|0.063896|0.056046|0.059058|0.084757|0.082598|0.123720|0.216461|0.500000| |1.694746|1.908315|0.051898|1.963680|3.381987|2.799265|2.213656|0.060177|2.023955|2.678649|4.820770|5.348120|2.937110|2.297816|3.807336|2.729046|0.074869|3.244284|4.298684|5.527455|4.817407|5.532904|8.900388|17.747532|8.788038|9.218400|0.191708|4.544873|3.589178|2.284609|3.808869|2.114605|0.061698|1.822475|1.669464|1.691461|1.873526|2.132300|3.237991|2.750955|5.690670|0.043793|0.045948|0.047219|0.058199|0.057844|0.056154|0.050647|0.062371|0.085987|0.086308|0.105167|0.123225|0.216581|0.500000| |2.612249|2.982119|0.077278|2.914223|5.020465|3.860462|2.851960|0.079051|2.369818|3.443064|5.846470|7.218564|5.196081|4.141979|6.134337|6.046669|0.197061|6.473520|8.916839|6.253350|4.329337|3.578246|3.613490|4.399693|6.317542|12.340863|0.203916|17.535924|7.182530|4.395678|7.571197|3.524141|0.103358|2.883168|2.438153|2.331257|2.565103|3.181153|4.697105|4.482815|8.372350|0.063789|0.071534|0.074414|0.079461|0.064158|0.064248|0.059879|0.118039|0.134957|0.165196|0.109052|0.083551|0.084405|0.110388|0.500000| |2.450550|2.803308|0.075523|2.647004|4.421958|3.581638|2.587077|0.069513|2.210442|3.116712|5.633005|6.114817|4.815275|4.172734|6.557089|6.270602|0.174624|6.384670|8.906901|6.210326|4.295106|3.558736|3.601482|4.391866|6.298466|12.348219|0.205909|17.615778|9.311871|5.239676|8.023885|4.387934|0.133799|3.329690|2.808178|2.758707|3.157951|4.097303|6.335513|6.459341|12.513658|0.060321|0.068710|0.067767|0.076269|0.059389|0.061546|0.055883|0.102082|0.144305|0.140895|0.107813|0.083071|0.084186|0.110385|0.299814|0.500000| 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