Version2.1 2020-12-18T20:51:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4CCSC4=O C39661277 RHF 6-31G(d) (6D,7F) COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4CCSC4=O C01[X(C22H27F3N3O4S1)] 174 C1 553 COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H]1CCSC1=O COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H]1CCSC1=O COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@@H](C(=O)N[C@@H]3CCSC3=O)C4(CC[NH2+]CC4)C2 InChIKey=LWHGNFGPITXPJY-JKSUJKDBSA-O InChI=1S/C22H26F3N3O4S/c1-32-17-3-2-13(10-14(17)22(23,24)25)19(30)28-11-15(21(12-28)5-7-26-8-6-21)18(29)27-16-4-9-33-20(16)31/h2-3,10,15-16,26H,4-9,11-12H2,1H3,(H,27,29)/p+1/t15-,16+/m0/s1 InChI=1/C22H26F3N3O4S/c1-32-17-3-2-13(10-14(17)22(23,24)25)19(30)28-11-15(21(12-28)5-7-26-8-6-21)18(29)27-16-4-9-33-20(16)31/h2-3,10,15-16,26H,4-9,11-12H2,1H3,(H,27,29)/p+1/t15-,16+/m0/s1/fC22H27F3N3O4S/h26-27H/q+1 COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4CCSC4=O C01[X(C22H27F3N3O4S1)] 174 C01 553 COc1ccc(cc1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@@H]1CCSC1=O CO[C]1[CH][CH][C]([CH][C]1C(F)(F)F)C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)N[C@@H]1CCS[C]1=O CO[C]1[CH][CH][C]([CH][C]1C(F)(F)F)C(=O)N2C[C@@H](C(=O)N[C@@H]3CCSC3=O)C4(CC[NH2]CC4)C2 InChIKey=HDQSARULSBMONA-JKSUJKDBSA-N InChI=1S/C22H27F3N3O4S/c1-32-17-3-2-13(10-14(17)22(23,24)25)19(30)28-11-15(21(12-28)5-7-26-8-6-21)18(29)27-16-4-9-33-20(16)31/h2-3,10,15-16H,4-9,11-12,26H2,1H3,(H,27,29)/t15-,16+/m0/s1 InChI=1/C22H27F3N3O4S/c1-32-17-3-2-13(10-14(17)22(23,24)25)19(30)28-11-15(21(12-28)5-7-26-8-6-21)18(29)27-16-4-9-33-20(16)31/h2-3,10,15-16H,4-9,11-12,26H2,1H3,(H,27,29)/t15-,16+/m0/s1/f/h27H 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-0.00951 -0.00062 0.99995 1 0.01227 0.00215 0.00198 0.25571 0.04480 0.04127 22.15 31.59 40.55 70.91 81.65 84.90 91.96 112.84 121.58 140.79 146.60 172.86 183.48 203.81 223.84 232.23 250.56 267.72 283.26 314.07 324.28 351.57 356.67 371.93 392.74 429.99 454.51 485.40 497.95 519.01 521.34 555.33 576.96 584.70 595.37 633.90 675.37 690.49 707.25 723.94 752.62 757.54 793.13 794.36 814.82 842.98 874.06 922.64 951.45 955.99 968.79 986.94 1027.55 1049.75 1067.31 1076.41 1164.65 1193.03 1210.57 1211.13 1230.87 1245.44 1251.23 1255.95 1273.52 1334.44 1353.18 1356.47 1381.70 1386.38 1422.72 1482.61 1505.34 1512.03 1538.57 1546.32 1559.97 1585.38 1587.86 1602.16 1612.09 1638.80 1643.50 1647.27 1656.26 1692.14 1698.94 1705.92 1735.99 1788.41 1807.43 1815.64 1841.14 1843.63 1859.18 1859.50 1875.21 1898.59 1912.49 1917.54 1920.81 1926.72 1947.34 1951.34 1958.73 1976.03 2016.08 2056.57 2065.01 2075.52 2080.39 2087.65 2088.27 2099.22 2101.97 2107.83 2128.85 2131.07 2172.37 2187.30 2206.08 2217.46 2237.50 2256.76 2265.74 2277.27 2297.87 2303.82 2343.69 2346.08 2348.99 2362.24 2370.57 2370.92 2376.14 2380.23 2395.23 2407.52 2428.40 2435.35 2447.19 2557.48 2620.86 2638.45 2770.17 2771.57 2818.79 4628.00 4635.05 4638.22 4638.59 4681.85 4703.97 4707.95 4710.67 4712.77 4714.70 4715.45 4725.59 4740.43 4748.81 4779.00 4784.82 4789.98 4803.08 4803.44 4812.28 4828.64 4878.97 4921.03 4942.82 5173.06 5355.44 5574.41 0.527724 0.556190 0.557134 0.466139 -2006.782103 -2006.753637 -2006.752692 -2006.843688 3.052021D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE COc1ccc(cc1C(F)(F)F)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H]4CCSC4=O C39661277 RHF 6-31G(d) (6D,10F) C1 486.167438 |X|Y|Z| 55.218370 33.981884 141.043927 64.203959 24 6 7 16 20 3 1 |36.858105| |13.537336|73.516695| |7.998792|25.489690|36.858105| |6.715318|14.097699|13.724864|36.858105| |4.513375|9.293862|7.934940|13.750086|36.858105| |3.779060|8.215984|6.814270|7.894387|13.768877|36.858105| |3.982521|9.448773|7.923730|6.882869|7.978283|13.651070|36.858105| |5.235086|14.580480|13.560383|7.902367|6.883467|7.893972|13.861966|36.858105| |4.595022|12.333093|7.559030|5.024675|4.456048|5.019933|7.614240|12.636059|36.858105| |3.489937|8.354975|5.241086|4.014260|3.881892|4.678449|7.115856|8.156426|14.378276|97.533100| |4.680235|12.025284|6.417563|4.463620|3.865643|4.135428|5.591048|8.111772|14.437622|20.153990|97.533100| |4.660189|12.018758|6.418196|4.461753|3.870611|4.146507|5.587942|8.118826|14.418141|20.158512|20.122972|97.533100| |2.923045|6.037941|4.446351|5.006145|7.501319|12.772928|7.723104|5.082529|3.837794|8.721579|7.393499|7.380014|36.858105| |2.616735|5.415769|3.832696|4.046515|5.364721|8.105243|6.727376|4.556317|3.694213|8.865484|7.255622|6.990965|15.854626|73.516695| |2.646344|5.241220|3.702131|4.339628|6.296304|7.704356|5.210021|3.936808|3.105421|6.967588|6.100007|6.268586|13.865414|15.205439|53.358707| 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|1.771732|3.363611|2.170480|2.387303|2.866537|3.101955|2.659902|2.266892|1.991790|4.588718|4.057532|4.224990|3.913224|6.665779|6.986358|5.016792|7.442451|0.202235|12.346199|7.451936|36.858105| |1.616694|3.050787|1.946797|2.126170|2.510948|2.695849|2.352178|2.028966|1.805935|4.173225|3.741854|3.809381|3.348899|5.951955|5.588121|3.802955|4.838889|0.128460|7.384929|5.776880|12.510424|36.858105| |1.606929|2.990401|1.898915|2.105400|2.473351|2.566329|2.214133|1.939174|1.716172|3.906483|3.592864|3.622885|3.096949|5.372764|5.176678|3.616908|4.440992|0.110495|6.492605|4.918703|7.765076|12.710267|53.358707| |1.502198|2.786769|1.754711|1.929464|2.234472|2.314155|2.027503|1.791856|1.601669|3.653287|3.381182|3.381020|2.748782|4.853643|4.420865|3.060329|3.599875|0.091701|4.887005|4.065972|5.707731|9.173194|25.706425|0.500000| |1.580013|2.919970|1.843803|2.049400|2.384805|2.437095|2.108217|1.866457|1.654281|3.743553|3.458891|3.524596|2.871972|4.889832|4.816234|3.549156|4.496453|0.111521|6.043191|4.349267|7.282793|9.213845|25.513561|0.325140|0.500000| |1.786297|3.320545|2.134363|2.417582|2.904398|2.971052|2.485296|2.159294|1.874738|4.224037|3.932919|3.914581|3.633131|6.165720|6.246179|4.212378|4.839245|0.112931|7.395390|5.821483|6.496428|7.712487|17.266587|0.254478|0.255314|36.858105| |2.010785|3.748238|2.448920|2.840875|3.524196|3.556405|2.860808|2.457779|2.086812|4.654538|4.310235|4.371688|4.398220|6.966042|8.456055|6.123406|7.419321|0.152416|12.284808|7.512863|7.454416|6.473563|10.546561|0.158378|0.201921|12.519145|36.858105| |2.113815|3.915609|2.530930|2.916900|3.481926|3.421539|2.831664|2.504266|2.136387|4.707382|4.306694|4.653196|3.831155|5.797382|7.042397|7.462787|12.512505|0.246174|7.417580|5.063605|5.839597|4.205052|5.714050|0.095765|0.127519|4.438928|6.539303|36.858105| |2.209835|4.015267|2.581666|3.050195|3.598103|3.353583|2.751483|2.482771|2.102411|4.555967|4.282420|4.582146|3.602929|5.402160|6.414029|6.660404|7.987295|0.164850|5.846429|4.367837|4.557296|3.616633|5.219132|0.089606|0.116502|4.263909|6.200665|15.898623|73.516695| |1.868398|3.452374|2.187186|2.446996|2.822695|2.824009|2.436926|2.185336|1.914645|4.263293|3.878633|4.216809|3.136685|4.953472|5.406459|5.086741|7.780250|0.205898|5.779144|4.123230|5.651692|4.123951|5.464607|0.093143|0.126909|3.877028|5.042527|13.977298|15.121846|53.358707| |1.706273|3.104711|1.933269|2.154641|2.423864|2.381344|2.086967|1.909151|1.693260|3.753381|3.478136|3.746699|2.587670|4.157920|4.289651|3.822063|5.061614|0.132348|4.342912|3.267667|4.409477|3.600506|5.060254|0.089046|0.122414|3.515057|4.251465|7.816765|12.235590|18.051298|36.858105| |1.777991|3.199075|1.986641|2.241910|2.505233|2.402221|2.090968|1.931342|1.702460|3.733272|3.511232|3.771271|2.561003|4.068551|4.226006|3.822232|4.748053|0.118865|4.040849|3.114553|3.849176|3.234010|4.697137|0.083540|0.111939|3.420407|4.189704|7.575040|14.446676|12.704051|17.589572|0.500000| |1.572092|2.854549|1.752277|1.916114|2.107611|2.083295|1.872781|1.736238|1.566599|3.484028|3.223966|3.507266|2.225857|3.630983|3.554618|3.086023|3.850089|0.107471|3.348162|2.690604|3.517137|2.977424|4.063280|0.074078|0.095422|2.782030|3.198611|5.126304|8.250174|10.357694|12.485950|0.246216|36.858105| |1.430703|2.576531|1.567040|1.708952|1.860478|1.828170|1.653992|1.545837|1.404806|3.121233|2.923539|3.139497|1.944262|3.208852|3.056415|2.569093|3.082836|0.084325|2.839909|2.327425|3.002598|2.695621|3.800213|0.071142|0.090091|2.576924|2.837416|3.908039|6.694938|6.890278|7.785345|0.190842|12.438167|36.858105| |1.387321|2.507089|1.533685|1.678872|1.849811|1.829473|1.642969|1.520471|1.377929|3.076702|2.882231|3.042628|1.984617|3.308677|3.148484|2.571613|3.134516|0.083931|3.087855|2.474490|3.381828|3.177891|4.669511|0.088122|0.116232|3.026219|3.197118|3.866465|6.596598|6.557998|7.013041|0.168403|7.068945|10.407604|388.023441| |1.565041|2.848608|1.769763|1.963848|2.213692|2.194049|1.928833|1.757803|1.568484|3.500051|3.253673|3.438657|2.426424|3.984437|3.998025|3.346813|4.364798|0.112939|4.283043|3.185586|4.671420|4.115039|6.117835|0.108117|0.160557|3.962439|4.447257|5.813092|9.451715|10.534868|12.390843|0.250438|7.780199|7.308679|77.307144|36.858105| |1.581756|2.893996|1.811294|2.017368|2.306806|2.305978|2.007932|1.809169|1.606831|3.600370|3.339808|3.485853|2.609751|4.315621|4.367533|3.538931|4.685654|0.117725|5.086323|3.620037|5.749481|5.280652|8.466894|0.142879|0.251638|5.133922|5.558496|5.794025|9.315426|9.202549|7.850743|0.182323|5.354012|5.030244|51.696037|15.908025|73.516695| |17.675629|17.007454|5.901522|4.906785|3.622659|3.181730|3.420598|4.420551|4.253370|7.389857|10.166613|10.122254|2.548442|4.140713|3.157539|2.368920|2.000984|0.053805|1.840796|1.975535|1.618553|1.486283|2.007213|0.038496|0.040326|1.623454|1.806851|1.901563|3.514061|2.320795|1.569082|0.045272|1.460516|1.336514|9.197053|1.444603|2.588034|0.500000| |17.585765|16.434573|7.027529|6.704741|4.570157|3.728443|3.796943|4.753161|4.080885|7.216076|9.658395|8.811947|2.918044|4.657255|3.604686|2.676580|2.208870|0.058160|2.050576|2.213584|1.767613|1.627438|2.222143|0.042515|0.044465|1.832343|2.050124|2.090830|3.921545|2.502727|1.688235|0.049053|1.544738|1.414952|9.841612|1.562257|2.823364|0.299835|0.500000| |17.582803|16.432438|7.011387|6.710184|4.573675|3.725423|3.781332|4.732487|4.060465|7.183710|8.809942|9.565660|2.907856|4.549984|3.677436|2.860183|2.355041|0.062574|2.111972|2.240286|1.823305|1.649108|2.236948|0.042489|0.045207|1.823691|2.077180|2.257532|4.234894|2.707336|1.817824|0.052985|1.675679|1.518418|10.374149|1.648420|2.940353|0.299824|0.298200|0.500000| |7.462876|12.588038|8.887385|17.779453|8.957417|5.644713|4.962369|5.620410|4.087272|7.499798|8.579676|8.559836|4.085180|6.022461|5.129120|3.944739|3.017780|0.077124|2.716675|2.938781|2.238673|2.010092|2.752968|0.051693|0.055147|2.324076|2.718686|2.818027|5.382409|3.228837|2.126719|0.062328|1.893917|1.703252|11.857277|1.936842|3.516253|0.145909|0.223510|0.223826|0.500000| |3.925613|7.506456|5.666496|9.001500|17.739584|8.905188|5.653183|4.959785|3.561785|7.195399|7.184152|7.179410|6.848991|8.756449|9.222546|6.900834|4.517880|0.107829|4.076363|4.566600|3.074597|2.689730|3.692727|0.067513|0.072968|3.275750|4.102350|3.927141|7.491949|4.191448|2.650400|0.077183|2.255351|1.993942|14.205516|2.423692|4.519457|0.089314|0.113377|0.113338|0.218821|0.500000| |3.327644|7.623094|5.641296|4.962585|5.677922|8.940180|17.782103|8.977102|7.063185|18.483907|11.816501|11.755108|7.250285|13.204837|6.656579|4.115362|3.287591|0.092377|3.127125|3.965455|2.677586|2.382177|2.994266|0.056195|0.057789|2.430581|2.745654|2.681191|4.542526|3.202145|2.012603|0.055336|1.819464|1.608534|11.412503|1.876202|3.484120|0.082286|0.088341|0.087855|0.107781|0.124411|0.500000| |2.922665|5.757774|4.039115|4.745201|6.334749|6.714723|5.034194|4.130213|3.249468|7.057735|6.171303|6.951781|7.007893|8.980786|12.244025|17.615179|8.753454|0.224434|5.694103|5.992911|4.207165|3.257354|4.153748|0.073369|0.083846|3.413968|4.567073|6.204297|9.899614|6.314349|3.529743|0.097816|2.976104|2.457609|17.002375|3.019065|5.506577|0.070726|0.078210|0.086571|0.115662|0.180004|0.125315|0.500000| |2.852603|5.369292|3.703740|4.709437|6.490591|5.791716|4.156304|3.553451|2.804473|5.985201|5.582017|5.919341|6.172288|8.060148|12.243983|17.656353|8.850625|0.176212|6.450804|6.094033|4.326329|3.464838|4.741643|0.082656|0.096348|4.191592|6.168099|7.329950|13.992589|6.586095|3.836491|0.111741|3.055348|2.586589|18.395459|3.353704|6.264939|0.068491|0.079320|0.084660|0.122678|0.234892|0.101944|0.302385|0.500000| |2.125109|4.132231|2.772673|3.097700|3.989069|4.628279|3.711706|2.964642|2.505335|5.791660|5.124594|5.052850|7.064243|12.954888|12.408662|5.811674|5.692051|0.140243|8.637045|17.603757|6.227518|5.763111|6.961150|0.121043|0.119534|6.443422|7.116089|4.140341|6.687908|4.733265|2.896067|0.077547|2.413003|2.142219|16.463750|2.913728|5.965887|0.053052|0.059980|0.059262|0.077890|0.118550|0.103981|0.129220|0.139693|0.500000| |2.106202|4.159924|2.789264|3.020157|3.820832|4.672041|3.922300|3.076589|2.638376|6.246178|5.239252|5.403941|7.144449|13.136060|12.348359|6.369873|6.778880|0.195060|8.753544|17.542237|7.209340|5.551909|5.938424|0.103086|0.108219|4.683944|5.502100|4.450345|6.681255|5.261217|3.062497|0.079575|2.602052|2.241238|16.783275|2.974234|5.901347|0.052887|0.058078|0.059173|0.074809|0.107963|0.114356|0.152315|0.135848|0.303877|0.500000| |1.757640|3.372801|2.175886|2.349164|2.802815|3.120245|2.738127|2.314900|2.055532|4.806259|4.154318|4.366080|3.963837|6.944644|6.761306|4.740733|6.631186|0.209491|8.788242|7.141430|17.571265|8.971978|7.661885|0.127149|0.146166|4.910770|5.471283|4.997801|6.972428|6.784325|3.876786|0.093928|3.272172|2.772112|21.457390|3.940343|8.043305|0.044775|0.048348|0.050066|0.060518|0.081289|0.078164|0.116284|0.109736|0.161791|0.230048|0.500000| |1.704191|3.203356|2.044769|2.249805|2.651276|2.798292|2.424648|2.108895|1.864764|4.263400|3.806770|4.007020|3.370264|5.646128|5.880163|4.584668|7.057110|0.194893|8.805548|5.507213|17.647017|9.044683|9.566977|0.147489|0.215802|5.607510|6.520586|6.568909|8.768929|9.878970|5.599630|0.127556|4.313608|3.595260|29.350064|6.127602|13.610216|0.043393|0.047093|0.049096|0.059341|0.079294|0.067187|0.109715|0.113592|0.130754|0.147706|0.303508|0.500000| |1.630051|3.097417|1.983098|2.151176|2.550030|2.788209|2.445930|2.089403|1.863815|4.343382|3.874712|3.890065|3.538018|6.535995|5.716933|3.656930|4.343821|0.116119|6.541267|6.126085|8.705418|17.618737|12.428877|0.220280|0.180694|7.184296|5.771176|3.644706|5.711626|4.727065|3.038652|0.077595|2.571429|2.343657|19.166537|3.355620|7.302318|0.041643|0.045715|0.045799|0.056052|0.075104|0.069613|0.087580|0.092061|0.186602|0.167653|0.212850|0.174349|0.500000| |1.491465|2.806046|1.771032|1.912471|2.216602|2.370717|2.112909|1.846469|1.666708|3.864764|3.464328|3.543541|2.864944|5.130818|4.615191|3.224479|4.049962|0.111944|5.426211|4.465791|8.800517|17.628684|12.354248|0.224990|0.219868|5.619574|4.856449|3.688783|5.670010|5.203398|3.456440|0.084826|2.963126|2.725988|23.239783|4.053724|9.042917|0.038348|0.041572|0.042273|0.050452|0.065253|0.059760|0.079233|0.082243|0.122516|0.125032|0.211574|0.221225|0.301073|0.500000| |1.795695|3.366874|2.172447|2.438776|2.943158|3.080091|2.588926|2.225384|1.935846|4.396948|4.077505|3.996338|3.860382|6.806210|6.389413|3.997754|4.342289|0.104643|6.545384|6.172837|5.792401|7.192397|12.436722|0.220464|0.180639|17.624907|8.686918|3.786542|6.434694|4.528250|2.988724|0.080716|2.447178|2.267533|18.523777|3.275012|7.184235|0.045370|0.051327|0.050404|0.064429|0.090762|0.071088|0.091297|0.108299|0.216862|0.138712|0.131068|0.132172|0.223256|0.146860|0.500000| |1.733578|3.182243|2.024299|2.301280|2.712464|2.702278|2.280522|2.018690|1.760012|3.932423|3.729003|3.688406|3.174088|5.363730|5.257269|3.660042|4.047880|0.095335|5.430274|4.498530|4.868433|5.623253|12.352098|0.225060|0.219417|17.630603|8.819797|3.960511|7.133267|4.765992|3.330067|0.092513|2.656578|2.527425|21.360000|3.814983|8.657995|0.043863|0.049740|0.049207|0.062448|0.085650|0.061433|0.084236|0.105320|0.136771|0.103793|0.107817|0.125627|0.146809|0.126695|0.301196|0.500000| |1.949869|3.585101|2.311179|2.684331|3.238712|3.172324|2.597476|2.284269|1.954151|4.324700|4.045856|4.150882|3.712303|5.851016|6.810943|5.521572|7.006287|0.144752|8.721607|5.525100|6.464254|5.558184|9.487855|0.146764|0.213450|9.020794|17.656657|7.758179|14.018936|8.080673|5.224966|0.146967|3.692703|3.280933|26.696809|5.558545|12.637154|0.048824|0.055092|0.056541|0.072725|0.105047|0.068784|0.119051|0.163156|0.141819|0.122770|0.134040|0.181632|0.131290|0.124684|0.173975|0.221712|0.500000| |2.212372|4.115415|2.723332|3.248345|4.144405|4.051824|3.145143|2.694296|2.242481|4.938826|4.646989|4.651080|4.958249|7.564022|9.569954|6.655261|6.605655|0.136213|8.773087|7.258901|5.479375|4.904142|7.655338|0.127114|0.145942|8.982090|17.594320|5.758113|10.616814|5.868626|3.695233|0.104961|2.863759|2.559241|19.917129|3.713967|7.759258|0.054635|0.063317|0.063362|0.086534|0.140564|0.082054|0.134422|0.203595|0.200549|0.143432|0.123709|0.134941|0.130875|0.107701|0.212684|0.211807|0.305553|0.500000| |1.797343|3.354850|2.124430|2.336655|2.692930|2.768725|2.426036|2.159178|1.910667|4.308249|3.854962|4.209131|3.124525|5.028562|5.314550|4.783885|7.440938|0.230962|5.776688|4.208194|6.301371|4.392043|5.450034|0.093234|0.124168|3.717242|4.639318|9.346984|10.878003|26.061816|9.098396|0.180565|6.906509|4.668097|32.015099|6.682525|10.884528|0.045781|0.048927|0.052784|0.062184|0.079918|0.066105|0.124208|0.119924|0.097526|0.114545|0.163369|0.235647|0.101929|0.115730|0.090604|0.091386|0.141775|0.109272|0.500000| |1.521398|2.786114|1.711685|1.851748|2.041152|2.052623|1.861757|1.716770|1.559777|3.500808|3.200635|3.492343|2.214813|3.653373|3.516233|2.999258|3.794934|0.110633|3.343827|2.710322|3.673830|3.086294|4.063364|0.074259|0.094430|2.716650|3.077242|4.715157|7.225876|9.626028|8.834061|0.173947|17.538187|8.836250|44.461100|6.754895|8.957183|0.039376|0.041398|0.044795|0.050361|0.059977|0.050769|0.081007|0.080292|0.067247|0.074386|0.097559|0.126907|0.073775|0.087122|0.067162|0.070941|0.095757|0.075870|0.208559|0.500000| 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