Version2.0 2020-08-01T06:21:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 11-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(cc1C[NH+](Cc3cc(=O)n4c([nH]3)ccn4)C5CCCCC5)OCO2 C66500727 RHF 6-31G(d) (6D,7F) c1cc2c(cc1C[NH+](Cc3cc(=O)n4c([nH]3)ccn4)C5CCCCC5)OCO2 C01[X(C21H27N4O3)] 159 C1 474 O=c1cc([nH]c2n1ncc2)C[NH+](C1CCCCC1)Cc1ccc2c(c1)OCO2 O=c1cc([nH]c2n1ncc2)C[NH+](C1CCCCC1)Cc1ccc2c(c1)OCO2 O=C1C=C(C[NH+](Cc2ccc3OCOc3c2)C4CCCCC4)Nc5cc[nH][nH]15 InChIKey=ILVJMOICTGSJPX-UHFFFAOYSA-O InChI=1S/C21H26N4O3/c26-21-11-16(23-20-8-9-22-25(20)21)13-24(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)28-14-27-18/h6-11,17,22,25H,1-5,12-14H2,(H,23,26)/p+1 InChI=1/C21H26N4O3/c26-21-11-16(23-20-8-9-22-25(20)21)13-24(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)28-14-27-18/h6-11,17,22,25H,1-5,12-14H2,(H,23,26)/p+1/fC21H27N4O3/h23-24H/q+1 c1cc2c(cc1C[NH+](Cc3cc(=O)n4c([nH]3)ccn4)C5CCCCC5)OCO2 C01[X(C21H27N4O3)] 159 C01 474 O=c1cc([nH]c2n1ncc2)C[NH+](C1CCCCC1)Cc1ccc2c(c1)OCO2 O=[C]1[CH][C]([NH][C]2[CH]=CN[NH]12)C[NH](C1CCCCC1)C[C]1[CH][CH][C]2[C]([CH]1)OCO2 O=C1[CH][C](C[NH](C[C]2[CH][CH][C]3OCO[C]3[CH]2)C4CCCCC4)N[C]5C=CN[NH]15 InChIKey=KLBUKJBHCVQFNU-UHFFFAOYSA-N InChI=1S/C21H27N4O3/c26-21-11-16(23-20-8-9-22-25(20)21)13-24(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)28-14-27-18/h6-11,17,22,24-25H,1-5,12-14H2,(H,23,26) InChI=1/C21H27N4O3/c26-21-11-16(23-20-8-9-22-25(20)21)13-24(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)28-14-27-18/h6-11,17,22,24-25H,1-5,12-14H2,(H,23,26)/f/h23H 2674.5869746305 -1252.9397815 1-A 13858.8568 102 372 474 |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|A| -20.71193 -20.71120 -20.66940 -15.84531 -15.79771 -15.73264 -15.70270 -11.47911 -11.45568 -11.45300 -11.45019 -11.44292 -11.43647 -11.41660 -11.41532 -11.37943 -11.37004 -11.36743 -11.36548 -11.36115 -11.35752 -11.34467 -11.34097 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0.8283 0.3300 0.6360 0.4138 0.4322 0.7124 0.8064 0.3751 0.3071 0.4299 0.4581 0.7985 0.4530 0.1748 0.8333 0.4246 0.7493 0.2758 0.3190 0.7055 0.2721 0.0470 0.7923 0.4600 0.8184 0.8570 0.8194 0.3913 0.4309 0.4258 0.7738 0.3559 0.1885 0.4889 0.3659 0.3532 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 7 1 6 6 6 6 8 7 6 7 1 6 6 7 6 6 6 6 6 6 8 6 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 1.00783 1.00783 5139.8110 21629.6743 23753.4141 0.99999 0.00278 -0.00266 -0.00282 0.99986 -0.01673 0.00261 0.01674 0.99986 1 0.01685 0.00400 0.00365 0.35113 0.08344 0.07598 24.25 32.81 37.64 54.91 67.02 95.86 115.93 127.31 144.81 169.82 196.46 249.04 261.57 271.29 289.91 369.57 381.85 435.50 468.18 473.57 507.45 517.95 569.82 599.72 635.84 654.34 676.71 687.64 689.69 723.48 744.62 769.31 790.39 839.46 858.52 885.81 889.78 916.92 960.87 969.46 1009.37 1074.60 1134.66 1138.25 1152.89 1162.53 1174.45 1199.26 1223.28 1244.97 1252.71 1278.82 1283.69 1298.74 1334.71 1354.30 1393.79 1401.19 1408.72 1417.06 1433.31 1448.73 1453.67 1460.68 1478.43 1521.76 1533.90 1552.47 1572.53 1593.73 1606.93 1608.06 1616.96 1631.65 1642.05 1669.07 1687.86 1691.04 1708.98 1730.26 1762.97 1782.23 1796.44 1810.51 1817.73 1840.33 1870.47 1873.16 1894.17 1910.30 1922.50 1928.52 1952.14 2009.52 2013.51 2021.60 2031.14 2041.65 2052.89 2112.79 2120.23 2129.00 2144.99 2160.73 2165.51 2183.45 2202.00 2203.05 2209.65 2227.98 2231.07 2272.14 2279.61 2293.21 2302.81 2331.13 2346.51 2353.12 2354.99 2355.79 2363.97 2369.91 2382.98 2392.56 2418.28 2464.74 2478.35 2480.64 2598.74 2616.89 2642.95 2883.21 4604.67 4608.79 4618.60 4627.51 4633.55 4700.17 4701.88 4703.38 4710.43 4718.54 4728.42 4729.13 4741.74 4754.59 4810.15 4818.66 4831.81 4838.13 4878.48 4887.01 4913.00 4928.89 4985.30 5324.08 5372.84 5405.93 5544.45 0.507102 0.529729 0.530674 0.451892 -1252.432680 -1252.410052 -1252.409108 -1252.487889 2.642328D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE c1cc2c(cc1C[NH+](Cc3cc(=O)n4c([nH]3)ccn4)C5CCCCC5)OCO2 C66500727 RHF 6-31G(d) (6D,10F) C1 383.208316 |X|Y|Z| 103.479419 46.504065 31.436069 53.283292 27 6 7 8 21 4 2 |36.858105| |13.617566|36.858105| |8.091282|13.942101|36.858105| |6.982241|7.917878|13.742803|36.858105| |7.871394|6.727080|7.916128|13.960612|36.858105| |13.768186|7.834579|6.944184|8.056338|13.548224|36.858105| |7.624228|5.010856|4.482729|5.075343|7.549087|12.642346|36.858105| |5.999916|4.256924|3.753215|4.040407|5.322999|7.492268|12.510767|53.358707| |6.834531|4.721025|3.934169|4.002766|4.977710|7.266759|9.319751|25.718984|0.500000| |4.335601|3.305396|2.948592|3.124392|3.896239|4.978262|7.670028|17.262597|0.261164|36.858105| |3.648661|2.923886|2.590023|2.658095|3.137902|3.860230|5.015976|10.376121|0.209542|12.579969|36.858105| |3.799461|3.075075|2.640749|2.614387|2.992507|3.735332|4.484378|8.574385|0.206964|7.642629|13.894585|36.858105| |3.091394|2.639393|2.301992|2.255128|2.502720|2.989917|3.387961|5.996778|0.139576|4.993060|7.820697|13.385727|36.858105| |2.892088|2.537410|2.200419|2.116220|2.297355|2.715930|2.963341|4.958337|0.116339|3.931347|5.354856|8.085228|16.067959|73.516695| |2.640417|2.296639|2.064965|2.061058|2.286637|2.640221|2.998627|5.281450|0.115066|4.455454|6.850955|7.711822|12.561467|14.681430|53.358707| |2.529793|2.179553|1.992199|2.033428|2.295793|2.623123|3.091089|5.447748|0.111037|4.995585|7.743934|6.560360|7.300481|9.354840|16.845708|36.858105| |2.961249|2.469405|2.248393|2.329147|2.707671|3.162999|3.951052|7.426756|0.143773|7.862828|14.512901|8.085565|6.742533|8.473129|10.639104|13.145457|53.358707| |2.826640|2.370429|2.198821|2.319629|2.721196|3.106915|3.924809|7.164690|0.130684|7.462814|9.541805|5.877110|5.003925|6.795744|7.878812|9.215796|26.031971|0.500000| |2.239524|1.953577|1.786531|1.811234|2.021839|2.293775|2.672430|4.437260|0.090823|4.065121|5.651785|5.244611|6.040124|8.682502|11.298502|12.887110|10.393474|0.173766|36.858105| |2.111201|1.870402|1.703656|1.704189|1.872133|2.116733|2.396803|3.912756|0.082302|3.397831|4.571280|4.747024|6.165191|9.798537|11.469953|8.292020|7.382167|0.125847|14.470917|36.858105| |2.237223|1.991879|1.805273|1.791523|1.955417|2.216754|2.466163|4.107721|0.088603|3.413733|4.683780|5.207180|7.817278|12.709556|18.038063|8.148885|7.228616|0.120900|8.411447|13.243141|53.358707| |4.743061|3.749113|3.514724|3.889718|4.958176|5.849765|7.256004|16.842241|0.258813|7.611771|6.158547|5.080968|3.997191|5.910655|5.220110|3.996678|7.096666|0.148004|3.131690|2.771012|4.050892|36.858105| |3.963652|3.285243|3.270039|3.840094|4.998015|5.153165|6.275596|10.120926|0.157613|5.806725|4.572711|3.751068|3.108428|4.730605|4.209362|3.363600|5.792016|0.130225|2.743089|2.413094|3.428821|12.470697|36.858105| |3.165650|2.782528|2.824508|3.248011|3.877563|3.813075|4.206477|6.661687|0.116729|4.205550|3.744188|3.184173|2.803138|4.330520|3.962054|3.153664|5.077919|0.114922|2.569715|2.290041|3.291596|7.632553|12.396871|36.858105| |3.228413|2.944885|3.036443|3.442125|3.896898|3.743316|3.782252|5.888175|0.110835|3.558217|3.304326|2.986313|2.695740|4.259866|3.760782|2.839834|4.376661|0.094171|2.334995|2.142740|3.155446|6.512563|7.516315|12.445345|36.858105| |3.637723|3.289017|3.253091|3.504659|3.909940|4.019493|3.994986|6.681867|0.134181|3.883964|3.775050|3.541232|3.211257|5.056189|4.412146|3.178152|4.851871|0.099955|2.554470|2.375586|3.607273|7.628936|6.430783|7.532964|12.445467|36.858105| |5.037906|4.230478|3.995673|4.284762|5.064073|5.697918|5.626274|10.188478|0.211482|5.035225|4.630451|4.381157|3.699689|5.733953|4.765668|3.394568|5.463604|0.109514|2.725188|2.514806|3.792785|12.449446|7.506274|6.429223|7.515201|12.407068|36.858105| |4.695979|5.406703|8.553603|14.160929|7.798256|5.203402|3.841601|4.384559|0.087859|2.611173|2.270608|2.223872|1.962894|3.297701|2.485621|1.810025|2.777402|0.056924|1.625313|1.535544|2.191099|3.227975|3.322193|2.965219|3.187464|3.124274|3.549537|73.516695| |4.220762|5.350229|8.582730|8.582415|5.353034|4.208982|3.195785|3.772892|0.077730|2.298967|2.052680|2.053442|1.842463|3.144923|2.321185|1.667615|2.517269|0.051081|1.511385|1.444650|2.069046|2.748163|2.737778|2.500927|2.720133|2.746425|3.069804|23.930309|36.858105| |5.218426|7.791032|14.186022|8.565754|5.412474|4.682206|3.417527|4.062915|0.086353|2.445737|2.202184|2.251107|2.014371|3.466205|2.492232|1.763191|2.658528|0.053225|1.596555|1.535174|2.213845|2.884155|2.745958|2.471679|2.694419|2.842351|3.285061|14.919447|13.474038|73.516695| |17.680884|8.946574|5.727749|5.006262|5.607256|8.908384|7.067810|8.408397|0.213730|4.694861|4.057985|4.441531|3.527301|5.904022|3.938353|2.724532|4.341155|0.082550|2.425840|2.298462|3.319674|4.572000|3.678358|2.962148|2.976668|3.417180|4.687020|6.599738|3.447091|7.441018|0.500000| |8.799927|17.756865|8.929223|5.630537|4.878883|5.590763|4.085438|4.986950|0.114979|2.974004|2.724300|2.943107|2.586397|4.523709|3.035158|2.082853|3.152141|0.061167|1.887230|1.831042|2.665840|3.252406|2.835265|2.463427|2.617504|2.953628|3.672826|7.767900|4.645133|12.202612|0.214273|0.500000| |5.596074|4.878058|5.639254|8.973448|17.741081|8.749844|6.899213|6.811911|0.123187|3.821020|3.038553|2.811426|2.366316|3.831423|3.006804|2.265195|3.654402|0.076590|1.995139|1.830521|2.579651|4.915903|5.569502|4.262892|4.105745|3.849732|4.725106|12.291030|4.664402|7.793057|0.123039|0.106304|0.500000| |7.003092|4.685087|4.046022|4.337516|5.822324|8.936596|17.634524|12.463339|0.221005|7.604918|5.022361|4.610619|3.436319|5.392494|4.038618|3.054948|5.288461|0.105156|2.717419|2.440363|3.363160|5.476051|4.787198|3.467367|3.137520|3.329225|4.439291|6.012491|2.917466|5.611696|0.203501|0.110445|0.147818|0.500000| |5.603760|4.155489|3.988323|4.775501|7.227002|8.814315|17.677302|12.290826|0.181853|6.831335|4.490872|3.845096|3.010754|4.683483|3.768882|2.944639|5.123627|0.108459|2.560836|2.272049|3.139994|6.768965|7.181140|4.570438|3.884252|3.837632|5.029798|6.750916|3.079519|5.609720|0.141691|0.095715|0.217424|0.303245|0.500000| |4.397903|3.325749|2.924501|3.058616|3.778291|4.907391|7.558316|12.322231|0.215528|17.642971|8.990827|6.869453|4.596116|6.711875|5.362809|4.303586|8.342767|0.159279|3.785565|3.222351|4.301683|5.567693|4.623380|3.476286|3.023788|3.257629|4.141171|4.533930|2.266001|4.310628|0.136687|0.083800|0.101705|0.255025|0.182686|0.500000| |3.730778|2.949028|2.724990|2.963460|3.713059|4.437486|6.660538|12.331118|0.182757|17.652939|8.797583|5.606909|4.143669|5.939705|5.437026|4.781573|10.216177|0.236696|3.924486|3.207913|4.293338|7.202282|6.523966|4.634773|3.667709|3.781176|4.614341|4.501313|2.205292|4.078940|0.107403|0.073485|0.105903|0.175593|0.192715|0.302435|0.500000| |4.442766|3.506437|2.907178|2.816664|3.208466|4.152261|4.871856|8.732471|0.230701|6.993744|8.888278|17.749048|8.942160|12.792028|7.533258|4.799239|7.799869|0.128062|4.150624|3.896419|5.727686|4.779079|3.563282|2.975539|2.841851|3.362192|4.296040|4.190446|2.191411|4.347210|0.153944|0.094062|0.081705|0.144973|0.110924|0.195545|0.140335|0.500000| |2.120827|1.852179|1.706079|1.741689|1.949596|2.194492|2.576793|4.164954|0.083468|3.876802|4.990564|4.436189|4.701539|7.028995|7.792912|8.455189|8.979384|0.165900|17.774516|8.950418|7.857034|2.914437|2.635287|2.458897|2.201775|2.352279|2.505393|2.791591|1.456454|2.716820|0.063390|0.049540|0.053907|0.073428|0.069711|0.102708|0.107638|0.101945|0.500000| |1.919708|1.720489|1.572459|1.567142|1.706543|1.913636|2.140178|3.401895|0.071529|2.902636|3.698172|3.875101|4.842468|8.334431|7.971186|5.691006|5.721661|0.101892|8.753234|17.814855|12.029711|2.402471|2.128735|2.030846|1.913694|2.100722|2.210406|2.527134|1.345826|2.539112|0.057916|0.047088|0.046365|0.060895|0.056591|0.078105|0.076706|0.092776|0.199688|0.500000| |3.917793|3.196359|2.973345|3.196915|3.876627|4.500353|5.538950|12.517455|0.217012|7.825509|7.520527|5.771600|4.617748|6.553824|6.366120|5.024970|9.248360|0.193400|3.686549|3.196694|4.726986|17.617636|8.939225|7.065277|5.883008|7.085280|8.983775|4.860313|2.390190|4.462644|0.109522|0.079632|0.107226|0.128543|0.145811|0.151660|0.209500|0.138695|0.093437|0.075327|0.500000| |3.573615|2.954363|2.914914|3.384015|4.365325|4.579241|6.020887|9.358161|0.142434|6.328685|4.744910|3.714295|3.058563|4.621670|4.184745|3.488561|6.194276|0.146596|2.880053|2.479041|3.434093|8.761075|17.536265|8.814160|5.486314|4.821756|5.463059|5.271526|2.473933|4.398185|0.094422|0.071747|0.136961|0.134960|0.206873|0.140115|0.227112|0.096854|0.078457|0.060748|0.212093|0.500000| |4.338292|3.624077|3.743805|4.672807|6.473652|6.038041|6.790540|9.039180|0.145915|4.966737|3.875763|3.331621|2.777900|4.327855|3.677158|2.870437|4.804351|0.105130|2.415077|2.159340|3.059714|8.835300|17.585913|8.875720|6.828547|5.698435|6.831562|7.120517|3.154605|5.509757|0.106695|0.084655|0.219594|0.138245|0.229654|0.117789|0.148590|0.091148|0.064849|0.053612|0.174482|0.302423|0.500000| |2.864775|2.518045|2.505816|2.797457|3.276239|3.337225|3.766544|6.236384|0.111112|4.234262|3.979857|3.316380|2.975696|4.538763|4.371798|3.579339|5.702231|0.132805|2.847707|2.507696|3.608135|6.880161|8.824951|17.517113|8.830632|6.758025|5.631875|4.547372|2.212292|3.933315|0.076497|0.063043|0.097505|0.089302|0.111285|0.095814|0.131501|0.083591|0.075374|0.061217|0.209793|0.214436|0.173987|0.500000| |2.843962|2.544895|2.634221|3.072195|3.621963|3.428229|3.736126|5.524702|0.097489|3.619358|3.199286|2.745880|2.443671|3.827999|3.453630|2.769890|4.386725|0.100042|2.324434|2.076809|2.940677|5.548163|8.870896|17.577154|8.806705|5.489467|4.835537|5.138651|2.424332|4.166028|0.073507|0.062762|0.114567|0.087358|0.116576|0.086118|0.112811|0.072042|0.062769|0.051764|0.143343|0.214057|0.216288|0.303879|0.500000| |2.743959|2.558210|2.644170|2.941619|3.222281|3.090321|3.118130|4.789404|0.091852|3.040624|2.910997|2.659535|2.470375|3.947580|3.517523|2.655926|3.962290|0.085420|2.207199|2.042355|3.011020|4.887252|5.487800|8.841253|17.572339|8.834766|5.486487|4.983090|2.449880|4.284560|0.071201|0.064377|0.094064|0.074153|0.088992|0.072962|0.087488|0.069895|0.057917|0.050999|0.131543|0.123315|0.140015|0.215177|0.211257|0.500000| |3.382733|3.155281|3.380217|3.968116|4.423653|3.984596|3.823375|5.560911|0.105096|3.291823|2.979592|2.736660|2.455163|3.936329|3.348456|2.508190|3.866995|0.082513|2.110129|1.949470|2.848425|5.676587|6.766198|8.850196|17.516222|8.847670|6.761786|6.678854|3.118861|5.357658|0.084118|0.076756|0.131795|0.087352|0.110071|0.079792|0.093566|0.074098|0.055693|0.048820|0.134296|0.139345|0.200865|0.173601|0.215078|0.303721|0.500000| |3.222301|2.899292|2.809459|2.965876|3.296131|3.480173|3.602978|6.250954|0.126801|3.888525|4.017450|3.752420|3.514254|5.459836|5.043876|3.616424|5.369361|0.110093|2.825234|2.627741|4.065231|6.873805|5.631390|6.761151|8.837344|17.513117|8.826308|4.735498|2.387112|4.414971|0.086984|0.073925|0.090435|0.086023|0.096117|0.089534|0.105450|0.095492|0.071229|0.063862|0.210393|0.125930|0.131478|0.197976|0.138900|0.215272|0.173639|0.500000| |3.481132|3.295987|3.301970|3.465787|3.666392|3.690517|3.489875|5.543242|0.115532|3.280364|3.231755|3.153473|2.936023|4.761505|3.987691|2.798089|4.143105|0.084112|2.305244|2.187667|3.344584|5.544832|4.836608|5.489988|8.809084|17.577145|8.871860|5.606721|2.842390|5.257996|0.090265|0.083490|0.098235|0.082591|0.092165|0.079017|0.087666|0.084881|0.058967|0.054369|0.143696|0.106471|0.127770|0.138858|0.123142|0.211152|0.215024|0.303894|0.500000| |5.981728|5.126434|5.034192|5.581968|6.617480|7.021737|5.978428|9.106531|0.187902|4.451260|3.917940|3.773423|3.196502|5.093801|4.047736|2.892343|4.610197|0.093022|2.404502|2.235725|3.321884|8.806032|6.785742|5.656443|6.770556|8.838862|17.610883|7.878921|3.714991|7.088189|0.142057|0.117810|0.162930|0.127462|0.147705|0.107115|0.114294|0.107172|0.062274|0.055390|0.174748|0.139255|0.201738|0.130841|0.126920|0.139175|0.198705|0.173675|0.215906|0.500000| |5.185227|4.370440|3.901983|3.918742|4.427725|5.260207|5.128415|9.510506|0.232353|4.931731|4.894491|5.026859|4.289399|6.697660|5.306456|3.569907|5.598462|0.107196|2.858836|2.688897|4.160667|8.824181|5.481471|4.833262|5.484779|8.811035|17.526128|5.758424|2.913590|5.733395|0.142011|0.109161|0.110874|0.119240|0.121606|0.114941|0.119144|0.139032|0.071689|0.065391|0.215838|0.122776|0.139974|0.126447|0.106622|0.123272|0.138955|0.215289|0.212849|0.302511|0.500000| |3.612231|4.442601|6.368873|6.368718|4.447606|3.606510|2.843177|3.472341|0.071647|2.134166|1.934924|1.936934|1.760479|3.013681|2.239618|1.604757|2.398990|0.048754|1.452627|1.393832|2.005080|2.597593|2.598195|2.444779|2.720352|2.733713|2.953707|16.552871|17.685700|16.560890|0.084309|0.111437|0.111937|0.071905|0.076601|0.057857|0.057161|0.056849|0.038809|0.036119|0.063452|0.064876|0.082175|0.060206|0.066078|0.069096|0.087300|0.065936|0.080247|0.098262|0.077866|0.500000| |3.735152|4.596010|6.599600|6.598302|4.593803|3.722565|2.923955|3.422641|0.070147|2.133902|1.905288|1.903874|1.713310|2.935005|2.159922|1.558750|2.346585|0.047685|1.426744|1.364692|1.940195|2.454997|2.466483|2.251675|2.396852|2.399456|2.664391|16.533399|17.643090|16.542238|0.087015|0.114721|0.115042|0.075888|0.079117|0.059150|0.057136|0.056484|0.038399|0.035486|0.060021|0.063150|0.078297|0.055874|0.061264|0.060579|0.075202|0.058914|0.068259|0.087098|0.070685|0.296818|0.500000| |2.647673|2.327965|2.107266|2.103455|2.318940|2.648807|2.947545|5.221053|0.114343|4.146803|5.936718|6.510897|9.230004|12.439332|25.796088|9.037864|8.969906|0.146655|6.081676|6.197637|13.162267|4.008555|3.197573|3.095963|3.009274|3.632536|3.804086|3.325075|1.747719|3.333651|0.079457|0.062719|0.062185|0.079184|0.075733|0.099895|0.104579|0.137799|0.127538|0.131620|0.137933|0.086201|0.077178|0.095772|0.074016|0.078748|0.073355|0.119557|0.091409|0.087934|0.119305|0.047161|0.044886|0.500000| |2.243703|2.013102|1.809533|1.774027|1.918062|2.182348|2.390095|3.922676|0.086306|3.186847|4.252624|5.054598|7.983721|15.818351|13.111925|5.992169|6.089495|0.103042|6.242283|9.257317|25.844856|2.796255|2.355779|2.248107|2.189378|2.522308|2.679371|2.830929|1.516496|2.906978|0.068587|0.055612|0.051180|0.067005|0.061467|0.083611|0.080490|0.118673|0.130721|0.214501|0.088433|0.064964|0.059231|0.067316|0.055956|0.057933|0.055506|0.077844|0.065965|0.065956|0.082932|0.040811|0.039538|0.218183|0.500000| 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