Version2.1 2021-01-08T11:28:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](c1ccc(cc1)F)NC(=O)[C@H](C)N2CCN(CC2)c3ccc(c4c3ccnc4)[N+](=O)[O-] C57580699 RHF 6-31G(d) (6D,7F) C[C@H](c1ccc(cc1)F)NC(=O)[C@H](C)N2CCN(CC2)c3ccc(c4c3ccnc4)[N+](=O)[O-] C01[X(C24H26F1N5O3)] 171 C1 547 O=C([C@@H](N1CCN(CC1)c1ccc(c2c1ccnc2)[N+](=O)[O-])C)N[C@@H](c1ccc(cc1)F)C O=C([C@@H](N1CCN(CC1)c1ccc(c2c1ccnc2)[N+](=O)[O-])C)N[C@@H](c1ccc(cc1)F)C C[C@@H](NC(=O)[C@H](C)N1CCN(CC1)c2ccc(c3cnccc23)[N+]([O-])=O)c4ccc(F)cc4 InChIKey=WYAPVOFSVBLNJU-SJORKVTESA-N InChI=1S/C24H26FN5O3/c1-16(18-3-5-19(25)6-4-18)27-24(31)17(2)28-11-13-29(14-12-28)22-7-8-23(30(32)33)21-15-26-10-9-20(21)22/h3-10,15-17H,11-14H2,1-2H3,(H,27,31)/t16-,17+/m1/s1 InChI=1/C24H26FN5O3/c1-16(18-3-5-19(25)6-4-18)27-24(31)17(2)28-11-13-29(14-12-28)22-7-8-23(30(32)33)21-15-26-10-9-20(21)22/h3-10,15-17H,11-14H2,1-2H3,(H,27,31)/t16-,17+/m1/s1/f/h27H C[C@H](c1ccc(cc1)F)NC(=O)[C@H](C)N2CCN(CC2)c3ccc(c4c3ccnc4)[N+](=O)[O-] C01[X(C24H26F1N5O3)] 171 C01 547 O=C([C@@H](N1CCN(CC1)c1ccc(c2c1ccnc2)[N+](=O)[O-])C)N[C@@H](c1ccc(cc1)F)C O=C([C@@H](N1CC[N@](CC1)[C]1[CH][CH][C]([C]2[C]1[CH][CH][N][CH]2)[N]([O])[O])C)N[C@@H]([C]1[CH][CH][C]([CH][CH]1)F)C C[C@@H](NC(=O)[C@H](C)N1CCN(CC1)[C]2[CH][CH][C]([C]3[CH][N][CH][CH][C]23)N([O])[O])[C]4[CH][CH][C](F)[CH][CH]4 InChIKey=WYAPVOFSVBLNJU-SJORKVTESA-N InChI=1S/C24H26FN5O3/c1-16(18-3-5-19(25)6-4-18)27-24(31)17(2)28-11-13-29(14-12-28)22-7-8-23(30(32)33)21-15-26-10-9-20(21)22/h3-10,15-17H,11-14H2,1-2H3,(H,27,31)/t16-,17+/m1/s1 InChI=1/C24H26FN5O3/c1-16(18-3-5-19(25)6-4-18)27-24(31)17(2)28-11-13-29(14-12-28)22-7-8-23(30(32)33)21-15-26-10-9-20(21)22/h3-10,15-17H,11-14H2,1-2H3,(H,27,31)/t16-,17+/m1/s1/f/h27H 3178.1053299843 -1520.1227323 1-A 25398.4594 119 428 547 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0.8571 0.3800 0.8457 0.1029 0.5287 0.3108 0.5492 0.3317 0.8553 0.5159 0.8151 0.6032 0.6786 0.2314 0.1753 0.8085 0.7337 0.5255 0.3921 0.5242 0.8267 0.2039 0.1536 0.8495 0.5253 0.6486 0.8213 0.7541 0.8116 0.5283 0.3796 0.5354 0.1991 0.6797 0.7621 0.5587 0.7044 0.8563 0.3590 0.7355 0.7902 0.6953 0.4074 0.7207 0.8484 0.7416 0.7885 0.7328 0.6126 0.8571 0.8206 0.6842 0.0929 0.7672 0.8503 0.6824 0.1438 0.8252 0.3211 0.3590 0.8290 0.8183 0.7467 0.4877 0.1649 0.7520 0.8431 0.6408 0.8341 0.5163 0.2084 0.5211 0.2732 0.2923 0.8539 0.8203 0.8372 0.7564 0.7354 0.7919 0.8493 0.6033 0.5581 0.7867 0.3579 0.1996 0.8470 0.8469 0.8567 0.4711 0.4911 0.8569 0.7335 0.7851 0.6992 0.2933 0.4941 0.7754 0.5865 0.8534 0.7070 0.7370 0.8173 0.4930 0.5781 0.5254 0.4043 0.3001 0.3570 0.3765 0.0465 0.0832 0.7939 0.6396 0.8107 0.6465 0.8176 0.3783 0.4089 0.7433 0.6653 0.6497 0.6958 0.5580 0.4490 0.3178 0.6084 0.3829 0.3178 0.3887 0.2373 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 56 57 58 59 6 6 1 6 6 6 6 6 6 9 7 6 8 6 1 6 7 6 6 7 6 6 6 6 6 6 6 6 6 6 7 6 7 8 8 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 15.99491 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 1.00783 1.00783 7799.0281 41153.6709 46481.6047 0.99997 0.00695 -0.00162 -0.00693 0.99987 0.01460 0.00172 -0.01459 0.99989 1 0.01111 0.00210 0.00186 0.23141 0.04385 0.03883 9.67 18.96 34.25 42.84 61.14 62.73 85.76 89.91 100.16 130.31 154.35 178.95 208.10 221.28 244.48 277.48 306.96 319.63 332.03 351.18 377.52 387.13 398.93 414.69 436.81 475.63 489.78 493.22 531.95 569.37 594.05 622.48 643.18 654.00 669.46 673.80 683.91 699.33 715.37 753.58 757.28 777.18 817.77 854.81 869.84 879.57 906.00 955.14 1008.69 1018.29 1057.08 1071.97 1085.17 1151.94 1157.51 1188.86 1215.89 1235.21 1236.00 1271.08 1284.26 1311.07 1317.25 1346.37 1367.22 1369.08 1370.15 1401.43 1409.29 1421.20 1450.97 1511.57 1532.68 1543.54 1547.95 1558.32 1578.21 1580.30 1602.96 1618.55 1620.43 1628.75 1643.61 1651.85 1699.44 1705.18 1707.26 1717.95 1727.07 1731.45 1771.67 1793.76 1814.37 1841.51 1848.19 1853.93 1861.20 1888.43 1913.71 1923.99 1927.00 1938.95 1957.35 1969.33 2001.26 2010.58 2045.63 2059.51 2070.04 2085.81 2127.76 2139.52 2153.81 2162.50 2174.78 2181.56 2205.09 2218.38 2241.19 2245.63 2247.01 2261.07 2278.72 2291.67 2301.60 2315.89 2344.72 2356.91 2361.47 2365.87 2369.60 2374.02 2383.70 2385.85 2393.46 2403.13 2432.63 2451.90 2560.20 2577.51 2579.30 2623.53 2628.86 2675.07 2806.90 4456.22 4481.61 4502.52 4559.74 4576.59 4626.20 4637.31 4698.11 4705.87 4721.56 4724.59 4729.72 4737.14 4750.82 4757.28 4770.72 4845.23 4850.60 4870.62 4892.31 4894.27 4901.36 4940.69 4942.34 4971.56 5607.57 0.516720 0.544047 0.544992 0.453881 -1519.606012 -1519.578685 -1519.577741 -1519.668852 3.055878D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE C[C@H](c1ccc(cc1)F)NC(=O)[C@H](C)N2CCN(CC2)c3ccc(c4c3ccnc4)[N+](=O)[O-] C57580699 RHF 6-31G(d) (6D,10F) C1 451.201968 |X|Y|Z| 60.655636 144.432399 29.302417 63.554515 26 6 7 22 4 |36.858105| |12.445862|36.858105| |8.960701|17.614238|0.500000| |7.481745|12.536821|0.249204|36.858105| |5.232548|7.547137|0.206098|13.716262|36.858105| |3.962025|5.000877|0.133893|7.871226|13.744814|36.858105| |3.736919|4.442414|0.111781|6.880338|8.021704|13.843684|36.858105| |4.312249|4.988291|0.116467|7.870296|6.883179|7.911742|13.818518|36.858105| |6.120587|7.494811|0.155450|13.677511|7.983885|6.880295|8.018972|13.767562|36.858105| |2.982689|3.391348|0.087644|4.648849|5.309758|8.166193|14.333757|8.166371|5.311671|97.533100| |7.704889|13.023588|0.257568|7.830323|5.525833|4.120248|3.836268|4.373737|6.168509|6.854792|53.358707| |5.971699|7.729099|0.203299|5.170316|4.204197|3.296458|3.048063|3.341736|4.293087|5.690243|19.195608|36.858105| |5.850493|6.826591|0.208130|4.532470|3.882205|3.047212|2.765072|2.955802|3.696713|5.227964|11.573574|15.869372|73.516695| |4.212564|4.980621|0.129749|3.956213|3.357396|2.807535|2.678493|2.940489|3.585291|5.153358|10.649217|12.417547|14.113365|36.858105| |3.992233|4.841963|0.121318|4.132093|3.479201|2.964088|2.885328|3.212456|3.891246|5.544798|10.476788|8.854746|10.422765|17.387204|0.500000| |3.970910|4.167251|0.106737|3.349197|2.824918|2.418806|2.360896|2.630703|3.173155|4.614715|7.848541|7.765314|11.207662|12.416838|0.246454|36.858105| |3.379986|3.970824|0.110955|3.299069|2.981941|2.540878|2.383549|2.525991|2.955142|4.677181|7.346255|7.781265|11.815144|13.115507|0.251641|7.646921|53.358707| |3.227051|3.998625|0.116104|3.459953|3.274487|2.787271|2.549366|2.623587|3.016355|4.998135|7.054918|6.610176|10.359416|7.886545|0.196719|5.022307|17.837490|36.858105| |2.641419|3.127634|0.092636|2.784031|2.728310|2.391091|2.183924|2.204746|2.460689|4.383896|5.063255|4.505230|7.832335|5.070476|0.128461|3.859649|10.584522|12.538281|36.858105| |2.308018|2.648707|0.076152|2.401624|2.329212|2.091427|1.956065|1.992669|2.194413|3.986044|4.287100|3.722820|6.340073|4.494869|0.117929|3.681390|9.083150|7.799424|13.028699|53.358707| |2.363889|2.642551|0.074734|2.346363|2.217340|1.981135|1.877581|1.948128|2.170068|3.815969|4.352774|3.905602|6.652088|5.055702|0.127099|4.422310|10.613088|6.731085|7.961348|17.843089|36.858105| |2.754113|3.107639|0.085506|2.711569|2.483973|2.191641|2.097071|2.221301|2.524675|4.205289|5.433649|5.044689|7.983039|7.811664|0.192143|6.471624|17.847804|7.990911|6.726015|10.655439|12.520511|36.858105| |1.995072|2.252024|0.065128|2.078429|2.050999|1.873107|1.752628|1.765268|1.911605|3.622659|3.510898|2.952485|5.154842|3.377661|0.089810|2.916608|6.124392|5.116522|7.883350|18.361985|7.800429|5.098423|36.858105| |1.851601|2.044482|0.059258|1.874881|1.845655|1.688449|1.584344|1.598756|1.730185|3.288576|3.135705|2.644980|4.735490|2.973446|0.077644|2.685811|5.224766|4.057073|5.698784|10.632695|6.577085|4.337908|13.992231|36.858105| |1.641399|1.797132|0.052094|1.671463|1.662063|1.539673|1.447636|1.450657|1.551723|3.035326|2.701477|2.226368|3.999000|2.442118|0.064690|2.240690|4.080192|3.183918|4.180865|6.955323|4.450090|3.297491|7.892934|13.511716|36.858105| |1.563729|1.723082|0.049885|1.628223|1.636313|1.532161|1.440622|1.432334|1.516501|3.041824|2.571881|2.079083|3.695690|2.259697|0.060988|2.051500|3.698416|2.971052|3.823264|6.159045|3.762650|2.943980|6.807313|7.942851|14.071204|36.858105| |1.643075|1.838226|0.053121|1.754909|1.774378|1.667657|1.565113|1.548890|1.633452|3.305258|2.760428|2.210438|3.867054|2.412245|0.066189|2.138287|3.957256|3.307537|4.290924|6.933567|3.916097|3.130708|7.704616|6.769781|7.845884|13.336095|36.858105| |1.853224|2.104224|0.060737|1.993250|2.000952|1.859444|1.740367|1.731724|1.844320|3.636252|3.227446|2.618001|4.520202|2.921031|0.080289|2.516275|4.977999|4.322250|5.991303|10.609022|5.162367|3.985808|13.240778|7.899391|6.838939|7.862720|13.540801|36.858105| |1.924827|2.223532|0.063725|2.148489|2.173625|2.038238|1.909494|1.888977|1.995185|3.996414|3.426464|2.711916|4.566608|3.021428|0.085878|2.539244|5.005893|4.553315|5.740656|9.105789|4.563834|3.907175|7.639010|5.125428|4.534369|5.133648|7.886427|13.447361|36.858105| |1.755238|2.015247|0.057639|1.988353|2.041137|1.953800|1.836780|1.795663|1.862923|3.902976|3.037397|2.343577|3.959800|2.546068|0.073080|2.181202|4.025801|3.558189|4.178212|6.171864|3.450316|3.083902|5.122596|3.965630|3.819853|4.576828|6.967061|7.962826|14.058991|36.858105| |1.581895|1.788745|0.051341|1.762495|1.814581|1.746319|1.643964|1.602971|1.655578|3.521766|2.654148|2.049125|3.517939|2.198246|0.062270|1.927981|3.442142|2.944827|3.478436|5.133293|2.996960|2.640567|4.502496|3.786299|3.945332|5.116062|7.935348|6.821368|8.004734|14.129384|53.358707| 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|1.361472|1.472774|0.042704|1.394797|1.405829|1.324843|1.248736|1.238752|1.304451|2.656293|2.153650|1.725136|3.112615|1.832737|0.049205|1.708302|2.898295|2.262813|2.749496|4.133585|2.741046|2.258198|3.898806|4.682261|7.126670|8.388475|5.382381|4.079170|3.217655|3.081004|4.772855|4.595850|21.715708|16.035746|73.516695| |17.561305|8.756857|0.173995|6.716337|4.627264|3.728022|3.728899|4.561382|6.588633|6.759977|9.408179|5.298276|8.668725|4.069069|0.110753|4.007497|4.349032|2.994332|2.455120|2.988213|2.271939|2.677182|1.900231|1.764385|1.568053|1.496504|1.572952|1.770773|1.845373|1.688773|2.071605|1.479504|1.831188|2.275283|2.318333|0.500000| |17.600342|8.851640|0.217377|5.487335|4.243022|3.315751|3.109707|3.488496|4.619402|5.769166|9.555709|6.454952|12.468918|4.458472|0.111333|4.375453|4.890071|3.319247|2.738228|3.254261|2.490118|2.899208|2.060937|1.931868|1.703249|1.605939|1.672248|1.886500|1.931537|1.746692|2.151145|1.553538|1.956127|2.405936|2.492885|0.300890|0.500000| |17.558394|8.815374|0.214149|6.846204|5.275157|4.068754|3.786332|4.228012|5.636281|6.846741|7.608897|4.593930|8.342139|3.433764|0.091272|3.250125|3.936468|2.827388|2.386457|2.845998|2.118341|2.407388|1.838572|1.717319|1.539349|1.473766|1.544740|1.723935|1.788215|1.648454|2.038395|1.458723|1.812175|2.246654|2.306272|0.300912|0.300647|0.500000| |4.912669|7.017386|0.229478|8.919125|17.714979|8.960381|5.692721|4.957150|5.661841|9.623280|7.101654|4.249108|7.300045|3.335333|0.093288|2.777860|4.163041|3.438045|2.909269|3.304476|2.283965|2.516090|2.146928|1.934485|1.741828|1.713189|1.855301|2.091014|2.256406|2.112358|2.564056|1.787208|2.087947|2.602550|2.618615|0.115532|0.116481|0.139312|0.500000| |3.338428|4.073761|0.114251|5.604345|8.848319|17.741594|8.966370|5.647963|4.957883|16.697784|4.717065|2.904644|4.873825|2.517629|0.073175|2.179141|3.185653|2.599460|2.289262|2.728218|1.878386|2.040739|1.820607|1.644702|1.512897|1.516136|1.652972|1.826995|2.005282|1.946936|2.385002|1.635440|1.877177|2.378147|2.343426|0.086763|0.080240|0.096262|0.214252|0.500000| |3.720178|4.060495|0.096096|5.602125|4.959320|5.649533|8.960461|17.740489|8.855187|16.714081|5.085478|2.958590|4.667709|2.690883|0.082135|2.468461|3.156796|2.374875|2.019180|2.527523|1.828989|2.082746|1.654906|1.505498|1.372086|1.356355|1.463143|1.627053|1.771792|1.693007|2.066395|1.429266|1.679497|2.135610|2.094839|0.113012|0.085970|0.101153|0.107631|0.124667|0.500000| |6.464770|6.927076|0.140034|8.883869|5.657632|4.955432|5.694598|8.983901|17.710458|9.634380|8.549338|4.407562|6.637856|3.761172|0.114013|3.461310|4.086712|2.952742|2.399970|2.957147|2.191532|2.589392|1.884091|1.714563|1.533002|1.489084|1.594595|1.801043|1.933153|1.794301|2.175072|1.524193|1.822173|2.289758|2.280642|0.222619|0.136444|0.155790|0.124121|0.107604|0.214885|0.500000| |6.067971|8.984158|0.186001|7.574556|5.376763|4.229689|4.106679|4.839686|6.800469|7.323514|26.102573|9.389874|10.886015|7.491810|0.247344|5.516155|7.017627|5.028037|3.597408|4.262711|3.161765|4.008976|2.561402|2.262196|1.954805|1.876914|2.034134|2.386553|2.580826|2.298449|2.708771|1.900161|2.236147|2.778068|2.775482|0.167956|0.149481|0.130672|0.133976|0.097719|0.115750|0.196434|0.500000| |3.791592|3.854233|0.102580|3.058743|2.633828|2.252934|2.173422|2.384023|2.845958|4.275067|6.750192|6.913157|11.766208|8.835048|0.173859|17.596064|9.663827|4.708705|3.832239|4.947596|4.464515|6.026473|2.924731|2.765654|2.300507|2.074612|2.126525|2.479638|2.443141|2.097255|2.554506|1.887681|2.452380|2.969363|3.106629|0.103395|0.121143|0.087802|0.073308|0.056992|0.062031|0.084939|0.125593|0.500000| |4.571972|4.545762|0.111208|3.615632|2.948221|2.518866|2.495171|2.849208|3.511779|4.841429|8.450781|7.375709|10.553582|8.828352|0.210103|17.558908|7.608498|4.175863|3.268374|4.199975|3.544228|4.790402|2.522750|2.336594|1.992109|1.845520|1.924982|2.231274|2.274863|1.993055|2.412192|1.749760|2.205583|2.711201|2.774928|0.134364|0.139780|0.101096|0.079002|0.062254|0.074640|0.110478|0.165348|0.300837|0.500000| |3.303252|3.458437|0.088956|2.930800|2.520005|2.212494|2.187552|2.431524|2.852863|4.343193|6.222180|5.573650|8.343400|8.717476|0.215646|17.599407|9.047155|4.527920|3.634731|5.003012|4.570706|6.876635|2.930732|2.704745|2.258806|2.067362|2.152467|2.530006|2.549612|2.189605|2.635644|1.925570|2.440581|2.992329|3.049384|0.094304|0.098384|0.077320|0.068448|0.055808|0.064424|0.086454|0.128552|0.299440|0.303313|0.500000| |3.077556|3.860630|0.108524|3.525057|3.355572|2.919081|2.702288|2.778887|3.145300|5.317030|6.838450|5.719702|8.477274|6.985709|0.208270|4.578320|12.261237|17.398544|8.883876|9.492885|5.819354|7.075007|4.802439|3.714744|2.998908|2.885821|3.312216|4.364931|4.995789|3.914176|4.251631|2.957432|3.225107|3.946900|3.877245|0.080947|0.085408|0.075237|0.095555|0.075451|0.070093|0.085005|0.145981|0.113809|0.109322|0.119546|0.500000| |3.673611|4.775138|0.145952|4.003282|3.832339|3.142269|2.791884|2.842897|3.323541|5.379201|8.249651|7.755137|12.676064|7.264123|0.177086|4.703809|12.473714|17.616742|8.989785|7.712257|5.027390|5.736893|4.218134|3.511795|2.861324|2.695853|2.969181|3.714551|3.916693|3.215354|3.695900|2.642266|3.059979|3.688827|3.772094|0.091624|0.104587|0.089322|0.115342|0.081068|0.070085|0.088554|0.153545|0.124785|0.113842|0.112866|0.300507|0.500000| |2.497137|2.985840|0.089312|2.740853|2.768613|2.457549|2.219653|2.198519|2.413505|4.486110|4.673230|3.933132|6.838558|4.191259|0.111015|3.256440|7.676940|8.907346|17.609662|12.413802|5.719706|5.011961|7.352560|5.232959|4.118758|3.987091|4.715011|6.649366|6.823976|4.932672|5.451565|3.958435|4.218608|4.981130|5.029382|0.064326|0.070739|0.063632|0.082913|0.066342|0.055748|0.064359|0.093199|0.088920|0.079273|0.085590|0.218033|0.215308|0.500000| |2.651429|3.074105|0.092922|2.677214|2.623676|2.281605|2.072800|2.091409|2.345772|4.159940|4.845495|4.420702|8.254924|4.714549|0.114017|3.765234|9.492587|8.892806|17.479310|12.287646|7.115908|5.850594|6.836008|5.770773|4.242864|3.727650|3.940738|5.076580|4.567718|3.538481|4.216116|3.217601|4.007451|4.612479|4.973305|0.067649|0.077855|0.066945|0.078736|0.060857|0.053176|0.063723|0.092696|0.108769|0.088843|0.096634|0.174029|0.219763|0.301399|0.500000| |2.120563|2.335112|0.065383|2.110355|1.998744|1.813081|1.736925|1.803929|1.985161|3.567328|3.785974|3.278463|5.560495|4.171173|0.109354|3.869703|7.684861|5.007631|5.721671|12.496024|17.586559|8.896986|7.255352|6.580992|4.606677|3.876935|3.963200|5.048484|4.385726|3.385135|4.069715|3.159443|4.155918|4.901444|5.007435|0.057299|0.061682|0.053188|0.056719|0.047923|0.047526|0.055943|0.077494|0.107547|0.088391|0.116033|0.130218|0.109953|0.127676|0.144381|0.500000| |2.368787|2.602559|0.074526|2.273492|2.148884|1.908083|1.799028|1.864291|2.085985|3.652639|4.206966|3.850680|6.895413|4.736957|0.113672|4.345288|9.602725|5.885386|7.095766|12.228286|17.476831|8.943651|6.705669|6.651983|4.498616|3.643266|3.610146|4.491773|3.864776|3.035514|3.701502|2.889559|3.949228|4.548737|4.929588|0.062702|0.070502|0.059192|0.062019|0.050352|0.048537|0.058586|0.082752|0.129976|0.096975|0.120992|0.134112|0.132226|0.143825|0.211035|0.300305|0.500000| |2.707469|2.947075|0.080127|2.552033|2.308946|2.044506|1.976794|2.116030|2.410452|3.977220|5.086576|4.703422|7.595971|7.153173|0.171338|7.472186|12.454776|5.732872|5.017465|7.740095|9.001239|17.633965|4.201514|3.838207|3.007702|2.661481|2.754851|3.356833|3.243555|2.653954|3.171085|2.363926|3.035982|3.658349|3.760598|0.074070|0.080292|0.065606|0.064511|0.052748|0.055617|0.069831|0.103448|0.200540|0.146948|0.246769|0.143516|0.127864|0.109916|0.131231|0.216105|0.221106|0.500000| |2.633461|2.999630|0.081116|2.703983|2.481035|2.222828|2.153044|2.287340|2.568298|4.341178|5.254011|4.551168|6.938389|6.900419|0.201476|5.665784|12.235269|7.073087|5.839961|9.564190|8.875805|17.410873|4.802702|3.952650|3.106738|2.865600|3.131302|4.010818|4.146333|3.283023|3.746994|2.713500|3.213239|3.929963|3.875754|0.072180|0.075251|0.064172|0.068816|0.057422|0.060002|0.073202|0.112782|0.137056|0.123946|0.176449|0.208375|0.143405|0.130873|0.133954|0.217428|0.174494|0.300957|0.500000| |1.907171|2.081630|0.060300|1.881366|1.832844|1.664573|1.564779|1.590408|1.735014|3.234542|3.202521|2.750056|4.993936|3.108530|0.079335|2.875478|5.505744|4.032980|5.430270|9.632722|7.225641|4.616696|8.987904|17.763909|8.913077|5.683649|4.902462|5.608093|4.136153|3.297617|4.261489|3.585904|5.731113|6.142040|7.225683|0.050457|0.055908|0.048960|0.053320|0.044796|0.041621|0.048088|0.063563|0.084160|0.068768|0.080392|0.099518|0.097478|0.130454|0.163500|0.198113|0.235584|0.117413|0.111481|0.500000| |1.555778|1.682914|0.048765|1.561676|1.549692|1.437285|1.354615|1.359639|1.453698|2.846497|2.508817|2.065092|3.744573|2.245202|0.059147|2.102038|3.682267|2.802666|3.539447|5.649625|3.868285|2.955822|5.643537|8.842903|17.783991|9.063810|5.608148|4.939451|3.613171|3.158719|4.484983|4.107522|10.148769|9.249011|14.252060|0.041332|0.045037|0.040687|0.045083|0.039247|0.035818|0.040017|0.050208|0.060566|0.052224|0.058877|0.072925|0.071123|0.095700|0.102597|0.111997|0.112760|0.076968|0.076780|0.215887|0.500000| |2.118974|2.486562|0.070737|2.399906|2.406365|2.238236|2.099290|2.090915|2.225593|4.350047|3.920659|3.104139|5.101850|3.535696|0.102567|2.875889|5.919427|5.635528|6.683121|10.347726|5.082761|4.591844|7.001570|4.681170|3.937449|4.164053|5.619416|8.825535|17.793729|9.008494|7.753533|5.033211|4.401741|5.494137|4.966900|0.056513|0.058818|0.054135|0.068941|0.060516|0.054251|0.059911|0.083063|0.075482|0.071054|0.080133|0.185839|0.128913|0.215505|0.137123|0.131175|0.114915|0.102119|0.140458|0.110515|0.089773|0.500000| |1.763611|2.036419|0.057867|2.045130|2.114274|2.051113|1.936564|1.881205|1.929713|4.143042|3.056522|2.311250|3.862201|2.491985|0.072803|2.128088|3.833615|3.387203|3.748636|5.338027|3.099955|2.894135|4.134874|3.296899|3.151438|3.638494|5.003203|5.637204|8.990920|17.728567|12.611892|5.923618|4.215627|5.644907|4.683201|0.047318|0.048280|0.046099|0.060313|0.056985|0.049347|0.051343|0.064993|0.056249|0.054593|0.059288|0.106538|0.086365|0.121710|0.088355|0.084142|0.075915|0.069620|0.086980|0.078876|0.074583|0.215308|0.500000| 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