Version2.1 2021-01-07T12:08:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N C17164462 RHF 6-31G(d) (6D,7F) CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N C01[X(C22H27N3O7S1)] 174 C1 553 CCOC(=O)[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N)CCC(=O)OCC CCOC(=O)[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N)CCC(=O)OCC CCOC(=O)CC[C@H](NC(=O)c1ccc(N[S](=O)(=O)c2ccc(N)cc2)cc1)C(=O)OCC InChIKey=YLQMYYCUKORWFN-IBGZPJMESA-N InChI=1S/C22H27N3O7S/c1-3-31-20(26)14-13-19(22(28)32-4-2)24-21(27)15-5-9-17(10-6-15)25-33(29,30)18-11-7-16(23)8-12-18/h5-12,19,25H,3-4,13-14,23H2,1-2H3,(H,24,27)/t19-/m0/s1 InChI=1/C22H27N3O7S/c1-3-31-20(26)14-13-19(22(28)32-4-2)24-21(27)15-5-9-17(10-6-15)25-33(29,30)18-11-7-16(23)8-12-18/h5-12,19,25H,3-4,13-14,23H2,1-2H3,(H,24,27)/t19-/m0/s1/f/h24H CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N C01[X(C22H27N3O7S1)] 174 C01 553 CCOC(=O)[C@@H](NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N)CCC(=O)OCC CCOC(=O)[C@@H](NC(=O)[C]1[CH][CH][C]([CH][CH]1)NS(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)N)CCC(=O)OCC CCOC(=O)CC[C@H](NC(=O)[C]1[CH][CH][C]([CH][CH]1)N[S](=O)(=O)[C]2[CH][CH][C](N)[CH][CH]2)C(=O)OCC InChIKey=YLQMYYCUKORWFN-IBGZPJMESA-N InChI=1S/C22H27N3O7S/c1-3-31-20(26)14-13-19(22(28)32-4-2)24-21(27)15-5-9-17(10-6-15)25-33(29,30)18-11-7-16(23)8-12-18/h5-12,19,25H,3-4,13-14,23H2,1-2H3,(H,24,27)/t19-/m0/s1 InChI=1/C22H27N3O7S/c1-3-31-20(26)14-13-19(22(28)32-4-2)24-21(27)15-5-9-17(10-6-15)25-33(29,30)18-11-7-16(23)8-12-18/h5-12,19,25H,3-4,13-14,23H2,1-2H3,(H,24,27)/t19-/m0/s1/f/h24H 3453.8545030466 -1933.7234601 1-A 26389.1660 126 427 553 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20878 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0.00004 0.00150 -0.00006 1.00000 1 0.00726 0.00226 0.00189 0.15118 0.04714 0.03936 8.29 16.04 22.72 31.06 33.92 38.73 46.47 60.50 83.38 85.82 107.10 115.43 122.38 129.59 138.80 167.72 194.99 203.44 221.00 224.01 253.18 264.59 300.07 316.44 346.17 390.69 406.34 407.73 433.06 443.86 452.84 485.25 489.43 536.88 547.96 561.28 578.16 605.66 643.34 655.59 657.52 668.11 676.26 719.70 729.02 767.64 799.71 818.84 846.69 865.79 883.88 900.65 913.52 936.73 1000.57 1004.29 1046.46 1075.53 1084.51 1128.71 1147.70 1179.99 1223.29 1238.63 1256.43 1268.49 1271.75 1286.75 1303.25 1325.39 1343.59 1363.50 1366.51 1395.75 1398.13 1400.66 1433.75 1468.59 1513.46 1531.15 1570.32 1585.89 1587.61 1591.37 1601.77 1608.13 1632.81 1650.64 1687.68 1689.31 1713.33 1726.88 1735.60 1757.83 1762.89 1792.08 1793.90 1816.53 1827.89 1854.08 1868.75 1868.79 1879.82 1887.54 1894.73 1936.94 1950.36 1959.73 1987.82 2026.63 2044.45 2051.59 2051.74 2068.66 2074.59 2094.50 2110.13 2120.78 2156.16 2194.81 2218.62 2219.43 2236.14 2266.49 2284.95 2293.27 2295.67 2324.28 2327.95 2345.26 2345.40 2358.70 2363.79 2364.08 2405.53 2407.48 2416.74 2423.49 2462.35 2545.38 2556.81 2581.88 2613.09 2649.88 2805.96 2882.71 2887.34 4627.05 4627.60 4641.82 4651.32 4689.42 4692.77 4704.20 4724.93 4725.14 4725.26 4728.59 4738.58 4769.01 4773.95 4778.62 4842.17 4842.94 4846.51 4868.70 4900.28 4913.45 4913.78 4934.91 5482.76 5497.66 5542.31 5633.97 0.518290 0.550079 0.551023 0.446599 -1933.205170 -1933.173381 -1933.172437 -1933.276861 3.502398D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N C17164462 RHF 6-31G(d) (6D,10F) C1 477.156972 |X|Y|Z| 74.498347 139.641100 36.599252 72.478751 14 6 7 16 12 1 1 |36.858105| |12.584167|36.858105| |8.039436|13.365418|73.516695| |5.272431|8.101280|25.600501|36.858105| |4.609656|7.170354|15.285344|16.015362|73.516695| |4.067342|5.178189|14.470329|12.618088|14.112685|36.858105| 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|1.764708|1.844943|3.714590|2.184576|3.606675|2.521480|2.569740|2.942259|0.077797|2.731175|5.166162|4.130317|2.112069|1.837845|5.116266|4.450747|6.789254|6.843244|7.933394|13.710726|36.858105| |1.986966|2.096347|4.267919|2.522802|4.133946|2.931775|2.957844|3.332047|0.085921|2.990167|5.620382|4.433400|2.224374|1.921791|6.066358|5.003711|7.124666|7.892987|6.866198|7.924719|13.718299|36.858105| |2.205810|2.369850|4.970079|3.003773|4.839918|3.662217|3.738630|4.383886|0.110424|3.744844|6.949215|5.344559|2.595296|2.203352|8.936571|7.492618|9.410839|13.703184|7.958468|6.897441|7.955375|13.776173|36.858105| |1.607814|1.663529|3.287410|1.911398|3.187290|2.148324|2.172620|2.418801|0.064402|2.281845|4.306708|3.533962|1.839367|1.624771|4.013387|3.344394|5.314785|4.535649|5.160165|7.853272|13.447999|7.822513|5.155559|53.358707| |1.503200|1.561935|3.041558|1.775579|3.009321|1.954943|1.997488|2.176298|0.057207|2.096538|4.011549|3.267422|1.727425|1.527774|3.526900|2.808298|4.466854|3.582794|3.843143|5.062160|7.027917|5.738355|4.123235|15.657467|388.023441| |1.610690|1.681532|3.266473|1.909270|3.246105|2.083063|2.119149|2.264338|0.058683|2.159420|4.130498|3.342022|1.755339|1.547877|3.694115|2.841657|4.419933|3.585690|3.576973|4.361117|6.157386|6.209960|4.414096|10.436755|94.865065|73.516695| |1.383269|1.422734|2.743615|1.585697|2.691842|1.727102|1.749116|1.889137|0.050293|1.824133|3.451149|2.892746|1.540274|1.380862|2.990085|2.375995|3.876908|2.918089|3.166471|4.049277|5.037115|4.192608|3.236353|10.672248|94.776944|13.559989|73.516695| |1.416214|1.487635|2.895979|1.715437|2.939674|1.894695|1.988259|2.193985|0.057304|2.185394|4.286250|3.402571|1.830812|1.604381|3.508673|2.793883|4.484392|3.480590|3.823405|4.859466|5.725761|4.717888|3.768206|9.425810|77.060773|13.119441|13.075919|36.858105| |1.470847|1.564608|3.054362|1.835034|3.170232|2.031509|2.175510|2.405091|0.061667|2.437817|4.902173|3.743420|2.022877|1.745706|3.859651|3.007889|4.740686|3.699313|3.891948|4.586565|5.236540|4.765934|4.022375|7.290884|49.519394|11.472959|8.813537|13.709336|36.858105| |1.383364|1.477871|2.873475|1.737751|3.030573|1.917704|2.087301|2.315288|0.059435|2.422454|4.951551|3.759090|2.077306|1.787908|3.611576|2.795929|4.503489|3.275062|3.470449|3.870898|4.039011|3.719429|3.378357|5.457603|33.714530|7.848631|6.816807|7.944338|13.829478|36.858105| |1.269121|1.345968|2.603896|1.563139|2.723737|1.718100|1.856411|2.059672|0.053785|2.161386|4.349376|3.423959|1.913207|1.671298|3.151694|2.472598|4.097690|2.845079|3.115404|3.505877|3.516794|3.127785|2.853533|4.929262|29.830836|6.553016|6.546089|6.843999|7.909522|13.636217|36.858105| |1.233617|1.296045|2.503578|1.487043|2.572977|1.632588|1.735294|1.921323|0.050786|1.978052|3.898422|3.154752|1.746638|1.544653|2.950445|2.348220|3.925833|2.740973|3.078134|3.622827|3.656964|3.116319|2.758857|5.465043|33.741924|6.838343|7.859358|7.943475|6.870094|7.911858|13.628473|36.858105| |1.294695|1.353640|2.621103|1.547025|2.657454|1.701565|1.785526|1.972365|0.052174|1.987056|3.875601|3.146417|1.714403|1.517583|3.082259|2.470575|4.081402|2.976806|3.362332|4.190834|4.476572|3.660055|3.078972|7.310449|49.607858|8.858509|11.507969|13.708528|7.921733|6.871447|7.909414|13.831370|36.858105| |1.196415|1.271357|2.447704|1.473202|2.585287|1.610031|1.752179|1.936068|0.050723|2.069210|4.171959|3.328205|1.896032|1.665212|2.893066|2.246084|3.781905|2.494587|2.700892|2.918967|2.860562|2.608595|2.459343|3.931141|22.882796|5.205362|5.201036|4.576946|5.193428|7.904409|13.812816|7.901574|5.193090|53.358707| |17.574515|8.851505|12.880665|4.899181|7.453862|3.996218|3.075115|2.629892|0.072579|2.209957|3.615405|3.747036|1.837157|1.758539|3.570656|2.358432|3.944062|2.218650|1.938691|1.805603|1.876027|2.129985|2.352422|2.328849|11.336293|3.052953|2.606329|1.484684|1.535085|1.431503|1.310109|1.278548|1.350983|1.670924|0.500000| |17.556046|8.896650|10.211817|4.272947|7.099332|3.367808|2.736649|2.324239|0.064184|2.015852|3.302330|3.496323|1.742765|1.698252|3.067533|2.028938|3.439140|1.897350|1.683263|1.572162|1.620333|1.810760|1.982918|2.029737|10.005313|2.680381|2.315433|1.328388|1.378040|1.300479|1.197101|1.164233|1.219108|1.541257|0.300687|0.500000| |17.574270|8.851658|12.880933|4.899422|7.454536|3.995130|3.079913|2.630927|0.074598|2.223095|3.572542|3.874922|1.896108|1.854170|3.431724|2.280377|3.915878|2.090246|1.846669|1.700352|1.730492|1.928776|2.146030|2.142712|10.387198|2.755415|2.397695|1.379262|1.426797|1.345842|1.241207|1.209557|1.267541|1.595599|0.300942|0.300676|0.500000| |8.811220|17.617163|16.522101|7.259282|12.886304|4.743410|3.781174|2.966321|0.081069|2.547608|4.064380|4.487887|2.191853|2.142270|3.704610|2.352711|3.984397|2.116759|1.846854|1.687368|1.715988|1.926800|2.172590|2.111843|10.398511|2.780445|2.375538|1.406734|1.482648|1.413059|1.292592|1.241302|1.287943|1.673003|0.172978|0.211573|0.211119|0.500000| |8.811456|17.617050|16.521461|7.258435|12.882778|4.745174|3.772322|2.964823|0.078509|2.527975|4.127470|4.293393|2.102608|1.999097|3.880173|2.438231|4.013916|2.249656|1.938380|1.789485|1.856748|2.126102|2.386235|2.288317|11.345305|3.085224|2.576741|1.518452|1.604574|1.512623|1.370521|1.315787|1.375258|1.759960|0.211118|0.211584|0.172981|0.302517|0.500000| |4.022156|4.846157|13.150248|9.022714|11.018677|17.571350|8.776558|6.830955|0.173766|4.503730|6.892026|6.875632|3.025404|2.682781|9.546507|5.160253|7.867116|4.244861|3.281652|2.806353|2.840474|3.401244|4.361951|3.251626|15.277731|4.105458|3.347075|2.047067|2.185226|2.028224|1.804731|1.724345|1.818262|2.275005|0.115798|0.092090|0.108052|0.117209|0.127232|0.500000| |4.041981|4.862318|13.247477|9.024876|10.974240|17.540430|8.791690|6.807919|0.207235|4.589092|6.580152|7.714838|3.291349|3.044406|7.574735|4.476972|7.656710|3.518696|2.892632|2.459200|2.405758|2.732580|3.364573|2.802267|13.190830|3.463232|2.942227|1.796620|1.904327|1.804898|1.636734|1.566399|1.630498|2.094853|0.108768|0.092408|0.116368|0.127257|0.117545|0.305406|0.500000| |3.035352|3.798683|8.524186|6.899463|12.195612|8.879873|17.598969|8.875381|0.209808|7.191570|9.387690|12.789817|4.968889|4.342546|7.683114|4.200874|7.067623|3.281123|2.732484|2.328413|2.265559|2.546499|3.108551|2.651975|12.853992|3.383629|2.845274|1.814869|1.980208|1.926550|1.732660|1.617924|1.649778|2.253030|0.080301|0.074379|0.083504|0.107029|0.100551|0.173206|0.211523|0.500000| |3.029879|3.801735|8.510500|6.936337|12.413380|8.855030|17.546163|8.824397|0.173615|6.847371|10.341768|9.759902|4.172848|3.450310|9.651973|4.707008|7.173750|3.818945|3.035509|2.604099|2.606178|3.047492|3.820570|3.012704|14.723377|3.966041|3.198800|2.069384|2.297510|2.202065|1.932570|1.790269|1.841001|2.478523|0.083031|0.074320|0.080278|0.101206|0.106863|0.208943|0.173017|0.304719|0.500000| |1.868395|2.147437|4.292580|2.874536|5.320544|3.245338|4.343538|4.735343|0.118649|7.256487|12.820551|16.521849|17.618248|8.809131|5.168311|3.349337|5.934788|2.797616|2.539795|2.199923|2.073451|2.200451|2.548286|2.472617|12.305604|3.153667|2.735526|1.844227|2.061305|2.130040|1.945542|1.758324|1.719558|2.635952|0.050467|0.048135|0.051536|0.060741|0.059019|0.081673|0.085924|0.134328|0.119902|0.500000| |1.758674|1.975545|3.985678|2.595510|4.614594|3.027986|3.871360|4.724588|0.126743|7.274059|12.849790|16.536669|17.623524|8.810139|5.306446|3.707443|6.971940|3.039464|2.848248|2.415076|2.202724|2.281228|2.643750|2.606289|12.750389|3.202161|2.840376|1.925108|2.129232|2.211647|2.051469|1.864947|1.815269|2.783692|0.047908|0.045135|0.049078|0.055324|0.053673|0.078031|0.082979|0.113928|0.101913|0.302246|0.500000| |1.821063|2.036287|4.074311|2.613149|4.634201|2.969298|3.574704|3.984309|0.117978|4.907483|7.447128|12.884369|8.855556|17.576626|4.305941|3.002307|5.838759|2.464594|2.313375|1.992506|1.837384|1.907082|2.186296|2.208637|10.744874|2.703107|2.437750|1.578456|1.700422|1.732994|1.631244|1.521257|1.499456|2.204886|0.048687|0.046826|0.051808|0.058419|0.054069|0.073836|0.085781|0.113254|0.089190|0.172993|0.211226|0.500000| |1.944154|2.226870|4.404987|2.899600|5.353933|3.173764|3.937199|3.989631|0.111308|4.900414|7.439436|12.871384|8.851852|17.573984|4.229836|2.801035|5.184557|2.329320|2.137711|1.865666|1.759766|1.858657|2.130792|2.124910|10.472325|2.673320|2.369971|1.532584|1.664882|1.692535|1.576069|1.461319|1.443768|2.128760|0.051388|0.050215|0.054735|0.064937|0.059569|0.076898|0.089044|0.133306|0.100549|0.211152|0.172969|0.300815|0.500000| |1.666349|1.869842|3.662641|2.353408|4.297576|2.586264|3.134722|3.360359|0.093350|4.275379|7.083753|10.209511|8.900220|17.556282|3.784166|2.609419|4.879653|2.222420|2.097081|1.843952|1.720581|1.784001|2.014309|2.091331|10.361926|2.616123|2.353019|1.541863|1.677877|1.736197|1.635883|1.507647|1.469343|2.243261|0.044598|0.043346|0.046796|0.053760|0.050514|0.065113|0.072178|0.098430|0.082502|0.211477|0.211511|0.300662|0.300722|0.500000| |2.488375|2.848030|6.218748|4.175433|6.803004|5.618152|7.021582|9.212083|0.181104|7.002797|12.639842|8.503009|3.784906|3.013960|26.015377|9.478237|11.043230|7.450432|4.968353|3.963069|3.926798|4.842717|7.209986|4.192686|19.694603|5.275659|4.105016|2.772772|3.127959|2.903872|2.473428|2.285480|2.390949|3.068504|0.071248|0.061467|0.067012|0.073772|0.079508|0.175852|0.131337|0.144294|0.209457|0.104370|0.102720|0.080827|0.081609|0.073913|0.500000| |1.778138|1.882113|3.880067|2.333184|3.815326|2.840160|3.020503|3.879681|0.109163|3.695240|6.824965|5.573585|2.800282|2.396769|6.562197|7.230733|13.530730|8.954025|17.757412|8.920496|5.641925|4.951728|5.664689|5.688102|23.222296|5.361824|4.969662|3.347394|3.404190|3.177322|2.944828|2.905055|3.076611|3.570290|0.051202|0.044944|0.049634|0.049646|0.051206|0.085190|0.078619|0.075003|0.080182|0.072572|0.084510|0.068591|0.061696|0.061327|0.123044|0.500000| |1.573910|1.639304|3.287218|1.935430|3.210035|2.241771|2.320621|2.732903|0.074738|2.630781|4.965922|4.078185|2.125080|1.863911|4.507522|4.138802|7.002460|5.640285|8.933814|17.710307|8.905821|5.639394|4.964200|9.811127|34.456826|7.009144|7.327561|4.846212|4.340259|3.789727|3.622361|3.899812|4.509611|4.111535|0.045822|0.040314|0.043502|0.043014|0.045240|0.067888|0.061076|0.058263|0.063812|0.056914|0.063126|0.052521|0.048757|0.048819|0.091446|0.214905|0.500000| |2.000789|2.100574|4.217212|2.467157|4.070567|2.786783|2.769118|2.995703|0.076974|2.695537|5.044461|4.053858|2.049005|1.787458|5.255066|4.071437|5.948820|5.625174|4.953749|5.648362|8.932280|17.779724|8.903575|9.773166|42.978982|13.531570|7.822784|4.586831|4.593533|3.531433|2.962272|2.963757|3.513762|3.371134|0.060072|0.050921|0.053422|0.053301|0.059860|0.089950|0.071518|0.066623|0.080463|0.056854|0.057807|0.049029|0.048434|0.046293|0.118283|0.107595|0.124215|0.500000| |2.467485|2.690053|5.725962|3.495125|5.573962|4.284014|4.279293|4.758838|0.116034|3.888599|7.067366|5.515930|2.637477|2.242207|9.864258|6.858993|8.626504|8.881217|5.647518|4.966412|5.669928|8.996574|17.731763|5.698717|25.508754|7.138130|5.133943|3.281184|3.555330|3.046280|2.573329|2.464001|2.712059|3.071785|0.073591|0.061089|0.065849|0.067567|0.075960|0.148449|0.105084|0.095851|0.124601|0.072644|0.073035|0.061318|0.061075|0.056600|0.237336|0.124284|0.107743|0.216500|0.500000| |1.518756|1.562135|3.075908|1.780197|2.969144|1.996569|2.015717|2.250733|0.060747|2.137589|4.009822|3.353066|1.756263|1.564017|3.662586|3.086373|5.058073|4.045864|4.830791|7.376101|9.265556|5.814629|4.302911|25.945577|61.203526|10.185999|13.721789|6.125139|4.625807|3.678748|3.499202|4.035906|5.405160|3.846659|0.044750|0.039227|0.041553|0.040658|0.043620|0.061091|0.053759|0.050690|0.056502|0.047913|0.051029|0.043633|0.041624|0.041223|0.076684|0.113878|0.220291|0.147215|0.098888|0.500000| |1.583516|1.694772|3.319973|2.004515|3.464104|2.220044|2.379891|2.608302|0.065877|2.612286|5.267466|3.954379|2.111380|1.809820|4.260596|3.243184|4.973646|4.027046|3.998174|4.556580|5.485719|5.522536|4.633802|7.193309|47.172575|13.103260|8.125884|8.912914|17.756596|8.955795|5.635935|4.953714|5.641817|5.718980|0.046057|0.041098|0.042416|0.044375|0.048573|0.066932|0.057076|0.059497|0.070801|0.060131|0.061071|0.048732|0.048242|0.048006|0.098517|0.094851|0.113489|0.152564|0.115674|0.121168|0.500000| |1.406209|1.515147|2.943927|1.797875|3.163466|1.979149|2.188743|2.417674|0.061325|2.580748|5.382423|3.989756|2.227058|1.897220|3.728056|2.819009|4.521111|3.204547|3.284425|3.487059|3.596187|3.471993|3.290657|4.684927|27.855188|6.871427|5.723003|5.650064|8.953386|17.715661|8.885292|5.630298|4.951155|9.814832|0.040237|0.036744|0.037914|0.040384|0.043210|0.057685|0.051397|0.056313|0.064838|0.064303|0.065841|0.050568|0.049853|0.051332|0.084343|0.084389|0.092967|0.091887|0.084341|0.087476|0.216157|0.500000| |1.158734|1.212819|2.333359|1.380811|2.391547|1.509599|1.599249|1.765005|0.047040|1.821131|3.558551|2.940802|1.638823|1.463720|2.673889|2.127841|3.612122|2.437513|2.743901|3.175857|3.141292|2.696651|2.424237|4.691473|27.879897|5.742827|6.889362|5.648963|4.950335|5.630487|8.882397|17.712842|8.951186|9.811743|0.033285|0.030458|0.031649|0.032370|0.034117|0.044055|0.040479|0.041716|0.045576|0.045685|0.048674|0.040177|0.038435|0.039880|0.056947|0.073447|0.096694|0.071437|0.060663|0.099001|0.107536|0.123808|0.500000| |1.252882|1.300146|2.509604|1.469213|2.515721|1.610022|1.670867|1.836854|0.049044|1.833706|3.527962|2.928826|1.592200|1.423369|2.854110|2.295822|3.834028|2.749292|3.123978|3.924175|4.184528|3.387817|2.838870|7.222918|47.319767|8.182572|13.244304|8.912539|5.641413|4.953555|5.634173|8.952966|17.744243|5.717190|0.036385|0.032823|0.034151|0.034343|0.036604|0.047826|0.043119|0.042997|0.047551|0.044147|0.046683|0.039262|0.037707|0.038282|0.060830|0.080105|0.120554|0.091215|0.069770|0.159212|0.124146|0.107535|0.216028|0.500000| |1.220504|1.304680|2.515166|1.524553|2.687861|1.668297|1.837302|2.034892|0.052998|2.211918|4.522360|3.555060|2.047160|1.783188|3.016760|2.321023|3.906026|2.536113|2.707247|2.844979|2.764700|2.572315|2.479874|3.695957|21.069331|4.922074|4.718793|4.057460|4.829801|7.379429|9.395709|5.833966|4.308799|26.034038|0.034667|0.032070|0.033205|0.035139|0.036875|0.047833|0.044180|0.048373|0.053230|0.058499|0.061672|0.047875|0.046334|0.049214|0.065558|0.073503|0.080450|0.067539|0.063678|0.073076|0.113820|0.219451|0.147262|0.098775|0.500000| 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