Version2.2 2021-02-07T14:03:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]CC(=c2c1)C[C@H](C(=O)Nc3cccc(c3)S(=O)(=O)N)NC(=O)c4cccs4 C63182666 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)C[C@H](C(=O)Nc3cccc(c3)S(=O)(=O)N)NC(=O)c4cccs4 C01[X(C22H21N4O4S2)] 153 C1 530 O=C([C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)Nc1cccc(c1)S(=O)(=O)N O=C([C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)Nc1cccc(c1)S(=O)(=O)N N[S](=O)(=O)c1cccc(NC(=O)[C@@H](CC2=C3C=CC=CC3=[NH+]C2)NC(=O)c4sccc4)c1 InChIKey=FXMVLSSFZULHDQ-LJQANCHMSA-O InChI=1S/C22H20N4O4S2/c23-32(29,30)16-6-3-5-15(12-16)25-21(27)19(26-22(28)20-9-4-10-31-20)11-14-13-24-18-8-2-1-7-17(14)18/h1-10,12,19H,11,13H2,(H,25,27)(H,26,28)(H2,23,29,30)/p+1/t19-/m1/s1 InChI=1/C22H20N4O4S2/c23-32(29,30)16-6-3-5-15(12-16)25-21(27)19(26-22(28)20-9-4-10-31-20)11-14-13-24-18-8-2-1-7-17(14)18/h1-10,12,19H,11,13H2,(H,25,27)(H,26,28)(H2,23,29,30)/p+1/t19-/m1/s1/fC22H21N4O4S2/h24-26H,23H2/q+1 c1ccc2=[NH+]CC(=c2c1)C[C@H](C(=O)Nc3cccc(c3)S(=O)(=O)N)NC(=O)c4cccs4 C01[X(C22H21N4O4S2)] 153 C01 530 O=C([C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)Nc1cccc(c1)S(=O)(=O)N O=C([C@@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)NC(=O)C1=[CH][CH]=[CH]S1)N[C]1[CH][CH][CH][C]([CH]1)S(=O)(=O)N N[S](=O)(=O)[C]1[CH][CH][CH][C]([CH]1)NC(=O)[C@@H](CC2=C3C=CC=C[C]3NC2)NC(=O)c4sccc4 InChIKey=PRWFGUMRLXNSAY-LJQANCHMSA-N InChI=1S/C22H21N4O4S2/c23-32(29,30)16-6-3-5-15(12-16)25-21(27)19(26-22(28)20-9-4-10-31-20)11-14-13-24-18-8-2-1-7-17(14)18/h1-10,12,19,24H,11,13H2,(H,25,27)(H,26,28)(H2,23,29,30)/t19-/m1/s1 InChI=1/C22H21N4O4S2/c23-32(29,30)16-6-3-5-15(12-16)25-21(27)19(26-22(28)20-9-4-10-31-20)11-14-13-24-18-8-2-1-7-17(14)18/h1-10,12,19,24H,11,13H2,(H,25,27)(H,26,28)(H2,23,29,30)/t19-/m1/s1/f/h25-26H,23H2 3412.0161348824 -2157.3329599 1-A 20986.2298 122 408 530 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.26929 -92.06646 -20.64256 -20.63817 -20.61292 -20.61177 -15.77359 -15.70792 -15.70526 -15.65719 -11.48205 -11.47078 -11.46452 -11.45124 -11.42810 -11.42113 -11.41899 -11.40369 -11.40211 -11.38780 -11.38487 -11.38235 -11.37503 -11.35948 -11.35523 -11.34190 -11.33903 -11.33144 -11.32857 -11.32453 -11.32445 -11.32240 -9.24112 -9.07695 -6.92757 -6.92724 -6.92595 -6.75960 -6.75863 -6.75693 -1.53848 -1.51760 -1.50519 -1.47891 -1.41409 -1.36370 -1.35872 -1.30465 -1.28104 -1.27328 -1.26480 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31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 6 6 6 6 7 1 6 6 6 6 6 6 1 6 8 7 6 6 6 6 6 6 16 8 8 7 7 6 8 6 6 6 6 16 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 14186.4773 27060.7123 37017.8409 0.99992 -0.01175 -0.00509 0.01170 0.99989 -0.00955 0.00520 0.00949 0.99994 1 0.00611 0.00320 0.00234 0.12722 0.06669 0.04875 9.82 19.02 25.21 29.40 31.92 42.04 47.46 79.82 93.87 129.39 144.60 180.68 191.68 210.36 233.36 240.51 267.21 282.38 288.45 299.53 372.52 407.37 414.47 443.68 469.72 492.46 521.70 539.38 558.61 608.88 623.76 670.65 692.27 696.60 708.32 721.92 736.92 749.35 774.65 781.69 791.17 838.39 843.17 872.36 884.36 907.22 936.71 951.56 966.24 1012.85 1049.24 1053.30 1087.55 1120.01 1136.54 1148.86 1166.57 1197.26 1198.74 1220.92 1228.21 1265.63 1292.55 1305.10 1334.64 1358.33 1366.64 1377.27 1379.81 1446.42 1469.55 1472.56 1495.86 1505.77 1520.50 1529.32 1546.47 1550.17 1568.65 1608.70 1613.62 1619.06 1627.16 1633.70 1664.87 1672.83 1723.58 1742.41 1750.26 1751.62 1774.81 1784.04 1813.34 1821.06 1834.03 1864.61 1883.68 1895.19 1910.48 1918.74 1971.67 1978.33 1995.95 2019.83 2043.19 2090.10 2098.63 2139.31 2156.31 2174.59 2176.66 2212.74 2224.63 2254.87 2275.47 2291.05 2297.47 2300.51 2329.74 2369.49 2377.39 2457.46 2477.28 2501.02 2526.26 2541.96 2547.48 2586.59 2601.62 2660.98 2771.50 2864.83 4640.87 4689.05 4704.76 4763.94 4785.54 4835.76 4877.95 4881.94 4894.04 4906.09 4913.29 4919.16 4919.63 4940.85 4959.53 4963.25 5409.89 5516.86 5568.42 5570.20 5576.37 0.441276 0.468612 0.469556 0.376059 -2156.891683 -2156.864348 -2156.863404 -2156.956901 3.135905D-04 MUNgauss RevisionA2.1 retrievium 07-Feb-2021 DUDE c1ccc2=[NH+]CC(=c2c1)C[C@H](C(=O)Nc3cccc(c3)S(=O)(=O)N)NC(=O)c4cccs4 C63182666 RHF 6-31G(d) (6D,10F) C1 469.100424 |X|Y|Z| 114.778631 80.764577 35.901499 69.299725 26 6 7 16 22 3 1 |36.858105| |13.162667|36.858105| |7.714963|14.074295|36.858105| |6.820661|8.073196|13.431576|36.858105| |4.661562|5.262862|7.724494|14.531913|53.358707| |3.954216|4.646319|6.820527|9.285839|26.012548|0.500000| |4.102416|4.150426|5.192773|8.363232|17.901822|0.244054|36.858105| |5.129317|4.640167|5.279071|8.402502|11.255331|0.161781|12.710884|36.858105| |7.948031|6.869803|7.642039|13.194704|11.510927|0.164560|8.214352|14.022026|36.858105| |14.207269|7.861896|6.612604|7.650591|7.212789|0.117722|5.078138|7.414484|13.192190|36.858105| |4.164754|3.598134|3.803076|5.104149|6.903316|0.112948|7.195375|12.714950|7.437067|5.854768|36.858105| |3.376316|3.001495|3.168189|4.035252|5.673322|0.097848|5.699993|7.379388|5.184992|4.377878|12.293579|36.858105| |3.577022|3.146078|3.271929|4.092102|5.552695|0.095997|5.197259|6.763097|5.271435|4.620717|8.870517|17.546543|0.500000| |2.861040|2.522424|2.588050|3.122183|4.309664|0.077022|4.014040|4.898915|3.874793|3.570208|7.605136|12.335212|0.245571|36.858105| |2.477930|2.235973|2.316000|2.760723|3.902719|0.071265|3.616640|4.101117|3.281369|2.999513|5.810248|7.993601|0.167195|15.988479|73.516695| |2.925579|2.507454|2.491858|2.916819|3.869671|0.069408|3.410088|4.272180|3.662345|3.627673|6.150637|7.799724|0.205031|14.033419|14.978646|53.358707| |2.501874|2.165762|2.130742|2.421842|3.212526|0.058783|2.743763|3.284768|2.932254|2.976782|4.340881|4.997557|0.133091|7.715107|11.811580|18.241066|36.858105| |2.335771|2.026966|1.970899|2.191113|2.879924|0.053222|2.391837|2.814664|2.603589|2.703425|3.487882|3.975411|0.112978|5.287795|8.311527|10.726062|13.752336|36.858105| |2.044345|1.795071|1.741235|1.906581|2.512480|0.046967|2.055924|2.364289|2.217326|2.310099|2.838646|3.121736|0.087357|3.963165|6.670236|7.022196|7.925690|13.751047|36.858105| |1.915432|1.695123|1.653146|1.811200|2.404674|0.045135|1.972922|2.244363|2.091109|2.158308|2.699261|2.899599|0.078531|3.708369|6.568991|6.172042|6.850463|7.939529|13.781522|36.858105| |2.005862|1.775507|1.746032|1.937809|2.592278|0.048448|2.161006|2.466998|2.253921|2.293004|3.049538|3.244622|0.084737|4.337617|7.987545|7.019769|7.997341|6.938713|7.997994|13.743883|36.858105| |2.279358|1.999253|1.977960|2.238689|3.001250|0.055395|2.560803|2.991539|2.663047|2.676395|3.900042|4.225866|0.107112|6.252858|11.339598|10.614344|13.740439|7.932037|6.850707|7.872314|13.781794|36.858105| |1.790291|1.609272|1.591344|1.753618|2.365947|0.044678|1.956859|2.179532|1.999246|2.015819|2.620716|2.698252|0.069506|3.403099|6.534315|5.022679|4.748601|4.215178|4.741951|6.963837|10.738507|6.997507|388.023441| |1.890176|1.700716|1.690893|1.877702|2.544339|0.047915|2.121649|2.363810|2.146955|2.144244|2.868732|2.860767|0.071906|3.575473|6.970971|5.069716|4.466187|3.722058|3.853304|4.971419|7.370644|6.589058|94.723946|73.516695| |1.670163|1.503064|1.473689|1.600960|2.143024|0.040670|1.741994|1.933571|1.809740|1.851060|2.266651|2.306723|0.060648|2.796710|5.199789|4.188005|3.863951|3.710842|4.419913|6.454798|7.351849|5.012712|94.818682|13.556002|73.516695| |1.618119|1.476438|1.475430|1.626570|2.224683|0.042374|1.843337|2.005664|1.825857|1.810684|2.378468|2.521306|0.064976|3.151058|6.300770|4.443015|4.029530|3.671245|4.083625|5.517377|7.049486|5.388100|82.433053|13.599282|13.723510|53.358707| |2.907299|2.719815|2.971448|3.773245|5.728040|0.102322|5.958045|6.122783|4.378793|3.571929|7.494604|13.150482|0.260199|7.762310|12.433770|7.132656|3.899802|3.249412|2.670998|2.525141|2.806006|3.492136|17.256496|4.570644|3.703381|3.203026|53.358707| |2.620256|2.502435|2.768905|3.484162|5.499472|0.101221|5.773889|5.311569|3.864059|3.145488|6.180379|7.660592|0.159282|6.042651|11.446167|5.789234|3.412034|2.835852|2.415161|2.355581|2.663951|3.258589|17.070002|4.627918|3.640601|3.212214|18.814937|36.858105| |2.726918|2.603833|2.893505|3.681625|5.850336|0.106669|6.308048|5.752149|4.099181|3.293792|6.691877|6.648145|0.137849|5.490548|10.365373|5.482960|3.290263|2.705549|2.333361|2.314268|2.656258|3.247294|17.408649|4.856914|3.707544|3.220639|11.488997|15.839936|73.516695| |2.210341|2.150950|2.375819|2.872565|4.533070|0.087520|4.321168|3.847989|3.042102|2.558816|4.189396|5.059318|0.118809|4.490527|8.927980|4.646352|2.904940|2.499677|2.183440|2.141986|2.387656|2.814972|15.615122|4.169896|3.359910|3.034221|10.661214|12.900730|14.484892|36.858105| |1.985762|1.949579|2.148829|2.544964|4.003604|0.079066|3.656833|3.236526|2.644019|2.259400|3.462837|3.870886|0.092647|3.631721|7.368872|3.929197|2.555224|2.217478|1.984286|1.982791|2.218688|2.556832|14.989525|4.044039|3.236460|2.951420|7.026848|7.654791|11.889684|14.086761|36.858105| |1.759221|1.739521|1.905744|2.203221|3.419876|0.068746|2.978726|2.664500|2.255849|1.965947|2.799823|3.142910|0.078535|3.006339|6.007590|3.383351|2.253429|2.006345|1.821311|1.817059|1.999104|2.248553|13.595692|3.601764|2.973934|2.724615|5.472727|5.110301|7.964200|8.213109|13.338895|36.858105| |1.755044|1.734518|1.894821|2.181149|3.361252|0.067495|2.899643|2.618555|2.234402|1.956683|2.739845|3.184938|0.081773|3.019114|5.914381|3.423466|2.269654|2.050307|1.851110|1.820167|1.973300|2.215879|13.175410|3.428403|2.898496|2.643771|5.640135|4.845918|7.114412|7.715394|8.261178|14.135901|36.858105| |2.024645|1.981784|2.170103|2.551537|3.940823|0.077398|3.518484|3.202705|2.662344|2.297806|3.391038|4.229122|0.108940|3.826173|7.311584|4.190981|2.671258|2.391474|2.100000|2.025009|2.192869|2.525060|14.178673|3.673599|3.099647|2.795262|8.305778|6.649589|8.569287|10.950200|7.443119|7.451135|11.084043|388.023441| |17.756013|8.768445|5.589806|4.930204|5.025590|0.090006|3.355532|4.099909|5.623934|9.049986|3.580872|2.999471|0.088534|2.638784|4.086472|3.766133|2.423864|2.303414|2.037882|1.904394|1.972329|2.210708|12.519381|3.280026|2.953385|2.153165|3.513610|2.335840|4.299492|1.998939|1.809781|1.618181|1.617008|13.153085|0.500000| |8.794582|17.723566|9.095630|5.700062|5.717989|0.108558|3.396817|3.677731|4.951849|5.655259|2.996507|2.575092|0.074947|2.218521|3.537687|3.025702|1.957399|1.855258|1.663318|1.573531|1.635698|1.817550|10.616426|2.790991|2.500915|1.869211|3.217996|2.195974|4.043166|1.924385|1.762752|1.591489|1.589186|12.757502|0.215558|0.500000| |5.522590|8.951604|17.752888|8.751269|9.245285|0.192945|4.541382|4.286785|5.490233|4.818138|3.227133|2.779872|0.079263|2.307413|3.733689|3.007868|1.916298|1.783523|1.591338|1.517432|1.598339|1.793470|10.457073|2.772568|2.429806|1.871115|3.657681|2.550959|4.720279|2.243292|2.054947|1.843648|1.832883|14.718557|0.123176|0.216738|0.500000| |3.562317|3.603250|4.389679|6.325109|12.363360|0.205781|17.591311|8.872246|6.230933|4.291135|6.364227|6.033252|0.156022|4.122507|6.660400|4.657662|2.741919|2.406810|2.060750|1.964494|2.138975|2.531573|13.686646|3.666154|3.038928|2.504039|9.859856|6.740836|11.549416|5.108279|4.092147|3.335355|3.327751|30.099597|0.083120|0.084197|0.110570|0.500000| |3.565110|3.601037|4.379878|6.305938|12.294790|0.204613|17.584193|8.893328|6.227994|4.298132|6.486332|5.108940|0.122976|3.856510|6.447019|4.397192|2.657182|2.292472|1.994780|1.945567|2.157793|2.550062|14.160650|3.897399|3.134959|2.561125|7.486892|6.086938|13.462232|4.552743|4.021496|3.178440|2.983970|24.839533|0.083228|0.084151|0.110268|0.301363|0.500000| |9.046837|5.590009|4.817920|5.497093|5.838000|0.098125|4.421713|6.547508|8.698118|17.751405|6.199889|4.647311|0.136648|3.957207|5.771066|5.746836|3.437524|3.104991|2.615825|2.424612|2.576968|3.041000|15.808714|4.191937|3.623626|2.673318|4.898190|3.132165|5.806028|2.536169|2.236045|1.944711|1.936498|16.196011|0.216250|0.124131|0.105267|0.107320|0.107653|0.500000| |3.624571|3.221186|3.432758|4.487079|6.329929|0.106949|6.603517|9.065631|5.911468|4.795512|17.632276|8.829903|0.174376|7.017792|10.814772|7.444393|4.144896|3.270396|2.733670|2.680211|3.110053|3.981766|19.612180|5.543742|4.182574|3.405042|9.171882|6.622145|14.899110|4.397560|3.759874|2.955106|2.803024|23.915977|0.088136|0.075912|0.082887|0.159031|0.191822|0.139297|0.500000| |4.563301|3.699584|3.702295|4.703262|5.907954|0.098566|5.427331|9.030076|7.135633|6.702710|17.614478|8.913275|0.216774|7.161915|9.415014|9.431347|4.843623|3.877347|3.110992|2.927870|3.291887|4.243613|19.677561|5.355066|4.287981|3.322835|7.572198|4.670294|8.826115|3.443620|2.935381|2.445836|2.407297|20.725452|0.111466|0.085847|0.086241|0.134103|0.137330|0.226140|0.302758|0.500000| |3.256637|2.731686|2.674336|3.114342|4.030554|0.071740|3.480049|4.491841|3.992045|4.088068|6.177006|7.525456|0.231880|9.408946|10.879518|26.061908|9.251485|7.321316|4.817254|4.057071|4.333221|5.855271|22.771320|5.702616|4.935569|3.862410|6.744227|3.902406|6.556937|3.154831|2.662299|2.318055|2.368932|20.721362|0.085852|0.066947|0.065187|0.096700|0.088975|0.135790|0.141795|0.205548|0.500000| |2.429793|2.102887|2.035311|2.252397|2.939806|0.054287|2.419522|2.853984|2.675175|2.800448|3.456336|4.009839|0.120230|4.983109|7.543450|9.865551|8.917929|17.701746|8.923861|5.649614|4.984837|5.643073|24.209800|5.495966|5.481251|4.168351|4.455222|2.782877|4.653734|2.460289|2.158567|1.965715|2.034852|17.097458|0.066726|0.053494|0.051074|0.068177|0.063374|0.089214|0.087382|0.106607|0.216385|0.500000| |1.931000|1.704125|1.645556|1.781220|2.340010|0.043993|1.889466|2.152238|2.047839|2.147819|2.517505|2.754309|0.078460|3.339528|5.612347|5.700907|5.646428|8.931256|17.737118|8.930376|5.669683|4.942018|27.825130|5.738292|6.859726|4.768658|3.264336|2.169085|3.713134|1.986738|1.812628|1.683300|1.721863|13.811510|0.053902|0.044207|0.041968|0.052757|0.050710|0.067016|0.066916|0.076193|0.113703|0.215771|0.500000| |1.748877|1.560079|1.519679|1.649218|2.191367|0.041418|1.779157|1.998144|1.879558|1.942920|2.351287|2.494167|0.067766|3.076121|5.508032|4.917246|4.943959|5.640902|8.894362|17.760828|8.909628|5.625138|47.265841|8.134879|13.058399|7.481778|3.017710|2.094208|3.672423|1.932134|1.810997|1.677385|1.677826|13.077791|0.048557|0.040528|0.038986|0.049177|0.048912|0.060040|0.065196|0.070259|0.092051|0.124071|0.214065|0.500000| |2.318993|2.047117|2.046584|2.342807|3.175399|0.058490|2.752739|3.200986|2.788104|2.744846|4.267253|4.479852|0.108088|6.653360|13.110208|9.653044|8.883752|5.640093|4.947181|5.628615|8.935485|17.801281|47.641326|13.606388|8.255664|7.187849|5.088624|3.618660|6.604961|3.069698|2.815162|2.424366|2.343409|18.856647|0.061792|0.051435|0.051551|0.074930|0.077629|0.085746|0.127554|0.125929|0.147653|0.123979|0.107453|0.124153|0.500000| |1.503329|1.377503|1.373322|1.501532|2.049916|0.039240|1.680913|1.817438|1.671771|1.665550|2.118741|2.232417|0.058201|2.716110|5.326964|3.845782|3.425139|3.248358|3.699807|4.911449|5.600839|4.316158|61.072281|10.628284|13.713677|25.905077|2.857011|2.103563|3.745671|2.007795|1.965194|1.837290|1.788432|13.318793|0.041018|0.035791|0.035690|0.046609|0.047584|0.049973|0.061508|0.060456|0.069747|0.076852|0.091462|0.146586|0.115950|0.500000| |1.610994|1.478939|1.488953|1.649653|2.276019|0.043444|1.897866|2.044051|1.843453|1.806468|2.424310|2.566179|0.065210|3.190788|6.574426|4.334286|3.770427|3.333099|3.536381|4.474029|5.761822|4.985144|60.815749|13.495323|10.437407|25.912671|3.313541|2.493035|4.472672|2.373188|2.341159|2.154169|2.063916|15.333855|0.043475|0.038137|0.038622|0.052666|0.054332|0.054035|0.071908|0.068099|0.076462|0.078659|0.084935|0.120199|0.145930|0.316766|0.500000| |2.645147|2.487081|2.688131|3.298279|4.927607|0.090442|4.734736|4.810239|3.730605|3.166749|5.609851|9.358167|0.234056|6.964618|11.553995|6.789473|3.827219|3.285428|2.701046|2.522268|2.753887|3.370076|16.796728|4.353699|3.622125|3.173226|25.994939|9.483466|10.942675|7.593291|4.955512|4.103212|4.494948|51.834760|0.066213|0.060905|0.068368|0.160547|0.121165|0.089100|0.140604|0.127321|0.131966|0.093370|0.067923|0.061636|0.097475|0.058011|0.066683|0.500000| |1.995101|1.957777|2.156829|2.554347|4.013965|0.079201|3.663669|3.248853|2.655468|2.270524|3.484837|3.696071|0.087299|3.515012|7.162712|3.836120|2.515977|2.164670|1.950335|1.972648|2.232457|2.569846|15.358323|4.226051|3.307003|3.002173|6.316589|6.914881|12.814879|8.946888|17.768786|8.584532|5.736881|37.698053|0.050512|0.049163|0.057266|0.109048|0.116699|0.062439|0.109202|0.082280|0.071868|0.057969|0.049312|0.050171|0.080022|0.055440|0.066721|0.118398|0.500000| |1.623256|1.611270|1.758640|2.006292|3.090939|0.062682|2.631390|2.366982|2.039314|1.796162|2.470129|2.702251|0.068110|2.623151|5.221680|3.018856|2.045641|1.835447|1.688253|1.698039|1.864130|2.065794|12.894695|3.420857|2.839826|2.600979|4.502203|4.079330|6.723770|5.720726|8.605369|17.763609|8.910189|37.708060|0.041699|0.041232|0.047564|0.080012|0.078529|0.049349|0.072825|0.060856|0.057591|0.049775|0.043524|0.043916|0.061840|0.049093|0.057360|0.092801|0.200843|0.500000| 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