Version2.4 2021-05-28T15:38:15Z 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 c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-] C33928412 RHF 6-31G(d) (6D,7F) c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-] C01[X(C21H21N4O7S1)] 156 C1 541 OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2c1nccs1)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-] OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2c1nccs1)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-] OCCCCN1C(=O)[C@@H]2[C@@H](N[C@@](Cc3ccc(cc3)[N+]([O-])=O)([C@@H]2C1=O)C([O-])=O)c4sccn4 InChIKey=MEXVCIMSNCMTHC-CMBDLQSPSA-M InChI=1S/C21H22N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2,(H,29,30)/p-1/t14-,15-,16+,21-/m0/s1 InChI=1/C21H22N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2,(H,29,30)/p-1/t14-,15-,16+,21-/m0/s1/fC21H21N4O7S/q-1 c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-] C01[X(C21H21N4O7S1)] 156 C01 541 OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2c1nccs1)(Cc1ccc(cc1)[N+](=O)[O-])C(=O)[O-] OCCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@](N[C@H]2[C]1SC=[CH][N]=1)(C[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])[C]([O])[O] [O][C]([O])[C@@]1(C[C]2[CH][CH][C]([CH][CH]2)N([O])[O])N[C@H]([C@@H]3[C@H]1C(=O)N(CCCCO)C3=O)c4sccn4 InChIKey=WOSYCFXLZYHBQN-CMBDLQSPSA-N InChI=1S/C21H21N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2/t14-,15-,16+,21-/m0/s1 InChI=1/C21H21N4O7S/c26-9-2-1-8-24-18(27)14-15(19(24)28)21(20(29)30,23-16(14)17-22-7-10-33-17)11-12-3-5-13(6-4-12)25(31)32/h3-7,10,14-16,23,26H,1-2,8-9,11H2/t14-,15-,16+,21-/m0/s1 3657.5524227736 -1946.7675432 1-A 18086.8774 124 417 541 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.88675 -20.52158 -20.52047 -20.47812 -20.44835 -20.43893 -20.34207 -20.33667 -15.77554 -15.50648 -15.47888 -15.45585 -11.26500 -11.25776 -11.22053 -11.21012 -11.19255 -11.18621 -11.18108 -11.18009 -11.17995 -11.17505 -11.17487 -11.17370 -11.16591 -11.16404 -11.16393 -11.16335 -11.15217 -11.14617 -11.13364 -11.12815 -11.11417 -8.89720 -6.57952 -6.57866 -6.57700 -1.55281 -1.33483 -1.32329 -1.29969 -1.28275 -1.23280 -1.20476 -1.17769 -1.14946 -1.12755 -1.10777 -1.01640 -1.00371 -0.98039 -0.96798 -0.96069 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0.7066 0.4417 0.2638 0.3683 0.4439 0.4779 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 6 6 6 6 6 6 6 6 6 1 6 1 6 1 7 6 7 6 6 16 6 8 7 6 8 6 6 6 6 8 6 8 8 7 8 8 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 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 15.99491 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 10130.6305 26231.6652 30012.3212 0.99989 -0.00833 0.01190 0.00846 0.99990 -0.01113 -0.01180 0.01123 0.99987 1 0.00855 0.00330 0.00289 0.17815 0.06880 0.06013 23.95 25.08 31.52 44.95 60.33 71.80 78.34 87.39 95.10 98.20 120.67 146.40 156.14 163.42 191.47 221.17 223.14 249.08 258.96 269.64 317.66 327.14 386.89 412.02 424.01 425.52 453.89 467.07 476.06 508.76 569.72 584.98 608.05 625.84 638.64 667.59 702.80 765.99 768.85 803.93 831.11 841.74 915.16 944.73 957.63 991.17 995.75 1012.42 1019.00 1040.02 1085.92 1123.59 1143.04 1149.48 1180.09 1188.81 1202.08 1228.53 1247.59 1255.23 1260.80 1281.36 1292.91 1344.61 1363.75 1380.84 1382.61 1391.36 1412.09 1435.97 1449.31 1482.58 1489.21 1539.24 1554.12 1586.40 1604.47 1613.31 1630.41 1655.79 1659.61 1665.95 1682.03 1701.55 1704.48 1723.45 1739.34 1767.15 1780.29 1799.88 1839.47 1852.10 1881.39 1886.51 1895.75 1904.00 1924.45 1933.20 1977.42 1996.63 2005.09 2026.48 2055.29 2056.91 2078.39 2079.17 2100.39 2105.10 2134.40 2137.03 2158.49 2161.30 2172.68 2187.87 2213.37 2265.07 2275.13 2281.22 2307.60 2322.91 2342.02 2352.30 2353.88 2359.78 2378.00 2386.38 2404.02 2419.66 2524.74 2530.27 2583.88 2660.41 2756.54 2824.43 2938.34 4535.94 4575.33 4595.07 4598.62 4614.43 4636.84 4658.71 4683.51 4688.85 4721.75 4734.42 4744.56 4769.38 4844.72 4902.51 4918.39 4938.46 4939.72 4963.85 5463.94 5919.75 0.447721 0.475726 0.476671 0.384032 -1946.319822 -1946.291817 -1946.290873 -1946.383511 3.107094D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE c1cc(ccc1C[C@]2([C@H]3[C@@H]([C@@H](N2)c4nccs4)C(=O)N(C3=O)CCCCO)C(=O)[O-])[N+](=O)[O-] C33928412 RHF 6-31G(d) (6D,10F) C1 473.113096 |X|Y|Z| 62.024720 111.202175 43.288008 66.836736 20 6 7 16 16 3 1 |36.858105| |13.792765|36.858105| |7.975351|13.746639|36.858105| |6.841534|7.890871|13.787433|36.858105| |7.946504|6.891948|8.020961|13.780792|36.858105| |13.629499|7.888271|6.866511|7.853595|13.657566|36.858105| |7.462359|4.988074|4.439007|5.008677|7.568484|12.551495|36.858105| |5.719805|4.138114|3.663553|3.963686|5.298672|7.281763|12.236190|36.858105| |3.970311|3.129272|2.896269|3.182798|4.086456|4.891720|7.549346|12.143014|36.858105| |3.824073|3.031539|2.836210|3.153679|4.082755|4.800800|7.674903|8.682274|17.618336|0.500000| |3.417036|2.838606|2.734345|3.071449|3.848837|4.195212|5.524729|7.686553|12.364827|0.239628|36.858105| |3.029605|2.574816|2.532273|2.882872|3.569562|3.722617|4.762747|5.693099|8.600711|0.218016|17.573274|0.500000| |3.983249|3.330760|3.279421|3.791995|4.854949|5.073081|6.054674|8.009186|7.832287|0.170734|12.401363|0.243102|36.858105| |4.065480|3.438145|3.509994|4.285964|5.735344|5.494719|6.378343|6.846929|6.671466|0.166715|8.947856|0.226213|17.465684|0.500000| |5.128390|4.035986|3.744571|4.130081|5.335576|6.367210|7.567254|13.012199|8.085398|0.166416|8.278629|0.163195|13.240471|0.248068|53.358707| |3.292812|2.926803|2.954765|3.360023|3.948913|3.902255|4.186327|5.108668|5.008870|0.116648|7.344125|0.174360|12.642239|0.254599|10.595726|36.858105| |2.826953|2.585069|2.681310|3.089326|3.525705|3.328509|3.504639|3.958488|4.053429|0.100429|5.728659|0.157080|7.786499|0.206274|7.149305|14.901014|53.358707| |2.484141|2.332481|2.423549|2.715622|2.960958|2.806362|2.870969|3.221099|3.235059|0.080775|4.230752|0.114797|5.244624|0.136555|5.642000|8.709270|18.854879|36.858105| |2.522260|2.379296|2.431525|2.646646|2.846358|2.768688|2.798476|3.224519|3.135549|0.076745|3.947561|0.101813|4.882074|0.120088|5.766721|7.885599|11.273082|14.212529|36.858105| |3.089528|2.821559|2.792008|3.005013|3.335559|3.395093|3.479086|4.306444|3.982698|0.092696|5.009181|0.118056|6.702093|0.146206|8.598611|10.982404|10.162252|7.565819|11.039535|388.023441| |2.892818|2.464629|2.348772|2.548642|3.032525|3.316167|4.087001|5.666391|7.895170|0.162943|12.488383|0.250565|7.314286|0.152391|8.426064|6.227820|6.799803|4.084208|4.020556|36.411306|36.858105| |2.551847|2.237074|2.162101|2.338072|2.705224|2.870697|3.349631|4.342341|5.327295|0.120573|7.823483|0.190140|6.037658|0.131301|6.830039|6.297437|7.294952|4.636196|4.611213|39.417396|15.947597|73.516695| |2.849433|2.400687|2.236825|2.375891|2.810349|3.178075|4.004543|5.598313|8.105065|0.169463|8.128537|0.179353|5.345131|0.120268|7.187381|4.454639|5.045976|3.178154|3.199752|28.503243|13.955980|14.913401|53.358707| |3.268515|2.661873|2.436455|2.586247|3.135038|3.695049|5.028525|7.251061|12.547793|0.251738|7.913783|0.174511|5.313220|0.125127|7.676416|4.055475|4.605368|2.856469|2.843147|25.280418|8.284796|9.850929|18.757730|36.858105| |3.059057|2.508595|2.272839|2.373070|2.826002|3.347015|4.442817|5.692164|7.851239|0.200841|5.370692|0.130438|4.049287|0.100433|5.953723|3.244661|3.807639|2.424382|2.422042|20.912026|5.569177|7.523274|11.387435|16.025231|73.516695| |2.433587|2.101345|1.955531|2.039873|2.341166|2.616866|3.135773|4.083291|5.085729|0.118529|5.079667|0.123556|3.896872|0.091376|5.364400|3.544397|4.176372|2.775671|2.859151|24.533620|7.674991|11.839781|17.850844|7.656163|11.813903|36.858105| |2.463404|2.145485|1.971973|2.016659|2.275793|2.564764|2.965177|3.878714|4.279214|0.099260|4.200957|0.099941|3.582735|0.083548|5.254002|3.372352|3.909908|2.679895|2.877203|25.370201|5.788549|9.632727|10.501894|5.764394|9.350515|12.476497|36.858105| |2.087812|1.858274|1.717651|1.742010|1.928335|2.140376|2.412372|2.975280|3.222431|0.078682|3.176279|0.079238|2.793036|0.067482|4.020593|2.701376|3.252543|2.289098|2.454919|20.524605|4.080203|7.196894|6.784520|4.103283|7.173492|7.527779|12.458557|36.858105| |2.031033|1.833375|1.685752|1.684381|1.835388|2.035228|2.230859|2.704724|2.779205|0.068368|2.726091|0.067946|2.516308|0.061320|3.705891|2.473941|2.982403|2.137992|2.337985|19.513291|3.322545|5.911755|5.194844|3.341079|5.866281|4.907739|7.548385|12.555408|36.858105| |1.771968|1.619872|1.500721|1.497843|1.616863|1.772181|1.924736|2.264630|2.339539|0.058910|2.304946|0.058784|2.135823|0.053039|3.088940|2.114831|2.607143|1.886469|2.042615|16.466149|2.742539|4.937089|4.202921|2.759229|4.932248|3.878539|5.083403|8.000676|13.504235|73.516695| |5.517678|4.039358|3.368416|3.382458|4.130355|5.660125|7.306066|12.060815|7.311327|0.162567|5.171942|0.113891|5.130936|0.123256|10.411576|3.938111|4.291407|2.729335|2.838001|26.804448|4.696029|6.711175|7.077060|6.680562|10.630615|4.178351|4.315577|3.302488|3.082803|4.498820|36.858105| |6.386927|4.501293|3.560736|3.442985|4.113300|5.856600|6.964240|7.969969|5.457371|0.137181|4.026547|0.094285|4.059116|0.103900|7.525960|3.240487|3.674612|2.374147|2.452197|22.165512|3.638762|5.410436|5.443428|5.052541|8.890544|3.401362|3.513668|2.858249|2.733118|4.097482|15.487388|73.516695| |4.228142|3.360086|2.888580|2.893886|3.402042|4.283487|5.152309|8.084799|6.424979|0.138215|5.063078|0.110345|4.841792|0.111405|9.257607|3.966270|4.288240|2.789266|2.974079|28.704612|5.209887|7.518730|8.267323|7.021952|10.935265|5.094211|5.745102|4.111044|3.829507|5.342757|15.542033|15.199125|73.516695| |5.126307|7.769596|13.112937|7.796524|5.143388|4.506660|3.316439|2.879156|2.378642|0.064823|2.287641|0.059650|2.688069|0.079088|4.052645|2.521598|3.192049|2.181419|2.199734|17.388851|2.017522|3.362325|2.620648|2.061438|3.452328|1.717306|1.742451|1.544277|1.530379|2.448771|2.722325|5.092969|4.297700|53.358707| |4.666372|7.048245|8.370763|5.422389|4.097104|3.883393|2.975479|2.648323|2.198294|0.059682|2.095955|0.054454|2.415634|0.069610|3.684737|2.279054|2.873463|1.987828|2.031043|16.093946|1.883880|3.148268|2.477891|1.946153|3.294316|1.644830|1.687037|1.508259|1.509922|2.424616|2.599086|4.939172|4.145408|21.684702|73.516695| |4.084786|5.409714|8.368997|7.077454|4.678337|3.883150|2.981897|2.608986|2.216123|0.060752|2.174703|0.057526|2.555883|0.076277|3.721337|2.442585|3.165805|2.178983|2.169365|16.671408|1.917377|3.226223|2.466752|1.921158|3.207921|1.619618|1.631019|1.452552|1.434233|2.307608|2.421072|4.445326|3.874235|21.651990|16.042050|73.516695| |17.766273|8.902332|5.655183|4.939731|5.663983|8.952380|6.959029|5.894777|4.060795|0.107441|3.362784|0.081864|3.746697|0.102372|6.726688|3.097571|3.593573|2.340062|2.403248|21.152691|2.927356|4.551318|4.051169|3.475925|5.913556|2.567347|2.635323|2.229583|2.180125|3.361357|6.615293|15.804134|8.636133|5.650541|7.123999|6.028283|0.500000| |8.915009|17.781878|8.931089|5.637940|4.966982|5.621111|4.064163|3.561547|2.771600|0.074392|2.518360|0.063642|2.885015|0.081190|4.721507|2.594236|3.140304|2.121423|2.189209|18.304823|2.247300|3.659394|3.017182|2.438229|4.146089|1.978542|2.047523|1.797140|1.796670|2.836991|3.675916|7.429679|5.589750|9.761090|14.074219|8.809237|0.213455|0.500000| |4.940940|5.633201|8.931908|17.784943|8.887222|5.604027|4.087866|3.371787|2.840110|0.078682|2.822154|0.075190|3.456654|0.110018|4.869944|3.181288|4.129694|2.700811|2.592208|20.144576|2.363868|3.916879|2.972457|2.339303|3.820647|1.891163|1.860836|1.622674|1.568526|2.498313|2.887666|5.156517|4.510095|9.783970|8.826214|14.141405|0.107389|0.124283|0.500000| |5.644529|4.961681|5.693332|8.985772|17.714839|8.897988|7.051613|5.107020|4.260899|0.121125|4.183891|0.111596|5.311304|0.192413|7.124454|4.253740|5.334143|3.185665|2.956848|24.021024|3.182552|5.051956|3.926969|3.192161|5.051802|2.375737|2.261316|1.914382|1.800123|2.828095|3.801127|6.513573|5.700503|5.685134|6.055971|7.175717|0.124388|0.107760|0.215594|0.500000| |6.855369|4.650096|4.000469|4.278941|5.831268|8.921393|17.618785|8.914258|6.611932|0.202120|4.624556|0.114182|4.648732|0.132668|7.624369|3.437708|4.021819|2.486945|2.440048|21.128044|3.652573|5.352763|5.140420|4.925959|8.340832|3.040277|2.874861|2.374498|2.197949|3.393482|7.145579|14.038044|8.819390|4.190479|5.031666|4.894068|0.198176|0.109486|0.098831|0.149860|0.500000| |5.617060|4.222659|4.051059|4.865382|7.500335|9.040317|17.524548|8.763132|7.461127|0.238627|5.913446|0.151703|6.340088|0.208578|8.956677|4.304321|5.084856|2.979963|2.811040|23.996534|4.114483|6.025178|5.306275|4.783542|7.431555|3.027975|2.778314|2.282624|2.087420|3.234881|5.424621|8.999517|7.543496|4.234001|4.890462|5.135478|0.141197|0.096741|0.115431|0.231893|0.302394|0.500000| |6.037742|4.810429|4.476057|4.913543|6.261520|7.353174|7.135078|9.212347|5.844247|0.133366|5.899256|0.129490|9.246726|0.214675|25.939190|6.954108|6.728904|4.054846|4.220976|44.099200|4.731233|7.308957|5.660297|4.411642|6.481574|3.311977|3.340572|2.651653|2.513586|3.768193|6.632477|9.423362|10.263196|4.712597|5.525306|5.573120|0.152928|0.111973|0.115039|0.159930|0.146707|0.168167|0.500000| |2.222529|2.112933|2.216363|2.482520|2.662820|2.494129|2.538570|2.771167|2.817278|0.072069|3.578469|0.100621|4.199002|0.114344|4.632791|6.002167|12.273629|17.758631|8.868141|37.979008|3.464544|6.960417|3.783634|2.521150|3.873826|2.475678|2.375358|2.074887|1.942565|3.094170|2.379964|3.746854|4.299776|2.759766|3.289961|3.646311|0.058147|0.053712|0.069772|0.080069|0.062000|0.073894|0.093025|0.500000| |2.283012|2.187657|2.233204|2.387057|2.511450|2.450047|2.449895|2.785207|2.700195|0.066881|3.266650|0.085036|3.858710|0.096875|4.788845|5.490454|7.789031|8.775243|17.800787|54.912604|3.400196|6.927405|3.833888|2.510905|3.878599|2.601341|2.668871|2.339111|2.269573|3.566324|2.533774|3.954108|4.756490|2.804202|3.419919|3.623796|0.060836|0.056720|0.065329|0.071576|0.060359|0.067846|0.098611|0.201736|0.500000| |2.327923|2.009646|1.863231|1.935475|2.216431|2.487702|2.998458|3.761722|4.708876|0.115869|4.388371|0.110817|3.398740|0.082430|4.714431|3.040790|3.656935|2.431707|2.475092|20.761023|5.800796|8.895408|12.672460|7.349095|13.481442|17.620976|8.817766|6.882471|4.564969|6.715569|3.929246|5.900902|8.197895|2.233585|2.804892|2.749436|0.068760|0.052810|0.049853|0.062380|0.083073|0.080604|0.082271|0.061172|0.063104|0.500000| |2.204981|1.934610|1.827148|1.917916|2.181361|2.381773|2.799066|3.520076|4.344839|0.104411|4.711334|0.120479|3.664046|0.086963|4.808404|3.489241|4.239197|2.862734|2.925532|24.123198|7.278272|13.139648|12.612156|5.779263|8.971828|17.604950|8.796086|6.783354|4.515533|6.651053|3.468330|5.142919|7.231891|2.204429|2.751669|2.740118|0.063654|0.050612|0.049958|0.062136|0.074657|0.076663|0.083782|0.071638|0.074349|0.301106|0.500000| |2.509917|2.204316|2.040925|2.092303|2.350088|2.619030|2.969016|3.918783|4.177767|0.095416|4.367934|0.102360|3.887739|0.088643|5.679945|3.826377|4.358507|3.034556|3.354967|30.467011|6.184365|11.101804|9.553125|5.135977|7.888766|8.916485|17.541394|8.828626|6.860396|8.343884|4.229988|6.044895|10.003532|2.457978|3.099106|3.011977|0.073636|0.058272|0.053766|0.064880|0.078039|0.077388|0.100673|0.073545|0.086377|0.174016|0.213910|0.500000| |2.728716|2.341813|2.112258|2.136508|2.420959|2.796896|3.254554|4.343558|4.573963|0.105187|4.170143|0.097316|3.631956|0.084966|5.637106|3.301678|3.773344|2.558611|2.747177|24.760376|5.283724|8.273295|9.742574|6.248773|10.548721|8.920151|17.593087|8.783217|6.900878|8.334242|5.280036|7.514616|13.657854|2.520243|3.201769|3.049018|0.082912|0.062301|0.054130|0.065858|0.088879|0.082433|0.099814|0.062847|0.070592|0.211190|0.173978|0.304494|0.500000| |2.016267|1.791130|1.651459|1.672663|1.853067|2.063579|2.342320|2.835721|3.109428|0.077645|2.974476|0.075316|2.584336|0.063463|3.714259|2.451580|2.981812|2.080500|2.195074|18.123915|3.692830|6.329421|6.321361|4.038048|7.474565|6.893429|8.804117|17.518527|8.961557|13.014446|3.167388|4.983536|6.817675|2.022634|2.585313|2.483936|0.060131|0.048227|0.043273|0.051123|0.065139|0.061706|0.068216|0.052847|0.057998|0.206862|0.168463|0.172957|0.208571|0.500000| |1.926466|1.730716|1.619607|1.653672|1.822973|1.991630|2.230450|2.709717|2.973951|0.073369|3.042059|0.077476|2.674409|0.064993|3.733392|2.649013|3.249796|2.316758|2.476352|20.101408|3.957981|7.349966|6.248668|3.677603|6.308577|6.828375|8.784760|17.510012|8.949154|13.087826|2.895490|4.482766|6.200159|1.993737|2.535443|2.468025|0.056403|0.046383|0.043146|0.050706|0.060516|0.059516|0.068646|0.058813|0.066030|0.169614|0.201124|0.211186|0.172381|0.302933|0.500000| 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