Version2.1 2020-12-27T21:36:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@H](c1ccc(cc1)OC)NC(=O)[C@H]2CCC[NH+](C2)Cc3nc(no3)c4cccs4 C31057522 RHF 6-31G(d) (6D,7F) CC(C)C[C@H](c1ccc(cc1)OC)NC(=O)[C@H]2CCC[NH+](C2)Cc3nc(no3)c4cccs4 C01[X(C25H33N4O3S1)] 192 C1 565 COc1ccc(cc1)[C@H](NC(=O)[C@H]1CCC[NH+](C1)Cc1onc(n1)c1cccs1)CC(C)C COc1ccc(cc1)[C@H](NC(=O)[C@H]1CCC[NH+](C1)Cc1onc(n1)c1cccs1)CC(C)C COc1ccc(cc1)[C@@H](CC(C)C)NC(=O)[C@H]2CCC[NH+](C2)Cc3onc(n3)c4sccc4 InChIKey=BOOXILSBMKZEKK-PZJWPPBQSA-O InChI=1S/C25H32N4O3S/c1-17(2)14-21(18-8-10-20(31-3)11-9-18)26-25(30)19-6-4-12-29(15-19)16-23-27-24(28-32-23)22-7-5-13-33-22/h5,7-11,13,17,19,21H,4,6,12,14-16H2,1-3H3,(H,26,30)/p+1/t19-,21+/m0/s1 InChI=1/C25H32N4O3S/c1-17(2)14-21(18-8-10-20(31-3)11-9-18)26-25(30)19-6-4-12-29(15-19)16-23-27-24(28-32-23)22-7-5-13-33-22/h5,7-11,13,17,19,21H,4,6,12,14-16H2,1-3H3,(H,26,30)/p+1/t19-,21+/m0/s1/fC25H33N4O3S/h26,29H/q+1 CC(C)C[C@H](c1ccc(cc1)OC)NC(=O)[C@H]2CCC[NH+](C2)Cc3nc(no3)c4cccs4 C01[X(C25H33N4O3S1)] 192 C01 565 COc1ccc(cc1)[C@H](NC(=O)[C@H]1CCC[NH+](C1)Cc1onc(n1)c1cccs1)CC(C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@H]([NH][C](=O)[C@H]1CCC[NH](C1)CC1=[N][C]([N]O1)C1=[CH][CH]=[CH]S1)CC(C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@H](CC(C)C)NC(=O)[C@H]2CCC[NH](C2)CC3=N[C]([N]O3)c4sccc4 InChIKey=GELAOKYRJYSTRY-PZJWPPBQSA-N InChI=1S/C25H33N4O3S/c1-17(2)14-21(18-8-10-20(31-3)11-9-18)26-25(30)19-6-4-12-29(15-19)16-23-27-24(28-32-23)22-7-5-13-33-22/h5,7-11,13,17,19,21,29H,4,6,12,14-16H2,1-3H3,(H,26,30)/t19-,21+/m0/s1 InChI=1/C25H33N4O3S/c1-17(2)14-21(18-8-10-20(31-3)11-9-18)26-25(30)19-6-4-12-29(15-19)16-23-27-24(28-32-23)22-7-5-13-33-22/h5,7-11,13,17,19,21,29H,4,6,12,14-16H2,1-3H3,(H,26,30)/t19-,21+/m0/s1/f/h26H 3442.1506113785 -1805.5723728 1-A 25184.1228 125 440 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05856 -20.79470 -20.65168 -20.63456 -15.86351 -15.74071 -15.70550 -15.68978 -11.49416 -11.46989 -11.46324 -11.44222 -11.43804 -11.43603 -11.39152 -11.38336 -11.37131 -11.36633 -11.35903 -11.35472 -11.34906 -11.34006 -11.33482 -11.31721 -11.30939 -11.30542 -11.30393 -11.29954 -11.29892 -11.29645 -11.29236 -11.27652 -11.27511 -9.06837 -6.75085 -6.74990 -6.74824 -1.67349 -1.50693 -1.50026 -1.48204 -1.39594 -1.34445 -1.31581 -1.26413 -1.25523 -1.22610 -1.21213 -1.17048 -1.16320 -1.11932 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 3.8910 8.3561 15.5097 16.1745 19.5940 32.5074 38.4092 40.6872 48.9170 68.7010 74.8908 85.4602 99.5257 110.7275 117.5608 131.8732 153.2924 163.2416 175.4553 209.2949 238.0275 244.4059 260.8774 265.8796 267.2409 271.5327 280.4188 295.4418 311.2732 323.9427 356.5431 364.1740 371.6453 375.8604 398.0021 429.6117 445.5683 452.2192 463.9108 476.7683 477.9206 507.6139 529.0857 531.4524 553.3226 557.4905 576.7621 605.0176 616.8751 631.6871 647.7165 691.3292 701.6060 731.0548 776.5181 804.7047 810.8343 814.9666 819.3249 830.7169 843.3560 855.0192 878.9615 890.6273 916.8185 923.6120 925.3079 930.3522 940.6653 954.7738 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1331.31 1338.57 1353.41 1373.71 1383.61 1408.74 1427.58 1451.94 1458.43 1474.86 1485.50 1493.70 1496.49 1509.00 1525.58 1538.31 1538.93 1547.35 1566.46 1588.25 1596.33 1623.34 1637.16 1642.56 1653.37 1678.47 1692.60 1697.75 1723.53 1740.94 1743.90 1760.02 1763.40 1790.65 1805.18 1829.62 1847.97 1860.93 1873.64 1880.89 1905.48 1919.14 1940.51 1942.77 1983.50 1996.77 2018.45 2036.15 2039.37 2060.29 2078.49 2085.29 2093.93 2104.87 2133.29 2144.87 2154.63 2173.53 2177.17 2180.64 2195.18 2208.23 2217.60 2235.54 2237.30 2247.87 2257.21 2271.43 2275.74 2295.44 2301.91 2333.49 2342.45 2343.89 2347.12 2352.08 2355.11 2355.45 2361.33 2363.81 2375.30 2375.49 2384.46 2386.03 2391.82 2445.24 2467.35 2496.33 2554.08 2555.60 2620.34 2670.14 2771.95 4578.29 4595.78 4601.25 4602.38 4612.39 4613.65 4622.79 4653.87 4665.47 4687.96 4693.07 4705.53 4714.89 4716.63 4716.83 4722.33 4730.96 4732.84 4739.32 4805.08 4806.34 4825.24 4834.74 4834.90 4851.51 4854.22 4886.89 4902.98 4906.65 4925.13 4960.70 5301.62 5547.41 0.602546 0.632849 0.633793 0.532209 -1804.969827 -1804.939524 -1804.938579 -1805.040163 3.407144D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE CC(C)C[C@H](c1ccc(cc1)OC)NC(=O)[C@H]2CCC[NH+](C2)Cc3nc(no3)c4cccs4 C31057522 RHF 6-31G(d) (6D,10F) C1 469.227338 |X|Y|Z| 63.388824 49.777494 136.704333 75.557225 26 6 7 8 16 20 4 1 1 |36.858105| |12.428001|36.858105| |7.568367|12.430405|36.858105| |7.447226|12.387913|7.596163|36.858105| |6.060871|7.323771|4.862905|12.426930|36.858105| |6.925520|6.853236|4.517615|8.894050|17.689647|0.500000| |4.240580|4.810187|3.751160|7.404498|12.511909|0.250185|36.858105| |3.631113|3.782284|3.037378|5.020531|7.570121|0.204634|13.627137|36.858105| |2.907577|3.026895|2.564853|3.853262|5.017877|0.134034|7.873381|13.856997|36.858105| |2.653089|2.850758|2.502148|3.665160|4.400776|0.111327|6.785593|7.933579|13.653518|36.858105| |2.859589|3.214737|2.852778|4.336213|4.959836|0.117091|7.858857|6.896191|7.944543|13.757811|36.858105| |3.552091|4.184714|3.559440|6.293644|7.440391|0.157000|13.773864|8.011293|6.910561|7.932367|13.689457|36.858105| |2.244867|2.376972|2.138678|2.921075|3.361705|0.087497|4.593592|5.307096|8.209443|14.188999|7.877966|5.200338|73.516695| |2.037476|2.182047|2.016816|2.646692|2.904899|0.074801|3.770764|3.988914|5.256619|8.011778|6.710849|4.505555|24.149091|36.858105| |5.053231|6.203244|4.319277|7.726804|12.923179|0.259708|7.767855|5.869454|4.273561|3.809564|4.203330|5.725914|5.382417|2.652636|53.358707| |4.575696|4.957537|3.606756|5.311343|7.689025|0.211375|5.625061|5.104218|3.854427|3.322946|3.450360|4.282083|4.870245|2.387009|19.412527|36.858105| |4.771020|4.615329|3.375348|4.734801|6.653572|0.220629|5.047651|5.000371|3.766968|3.139536|3.147344|3.784930|4.667625|2.266667|11.490300|15.817121|73.516695| |3.489067|3.823523|3.032576|3.958137|4.969978|0.131635|4.178293|3.909978|3.228630|2.892793|2.993184|3.523434|4.392860|2.197440|10.662842|12.435502|14.335787|36.858105| |3.412162|3.930296|3.193214|4.023942|4.724288|0.119277|3.958083|3.540069|2.979926|2.766457|2.948950|3.498337|4.216815|2.151269|10.127329|8.819992|10.606773|17.503340|0.500000| |2.856258|3.084700|2.542316|3.345702|4.240937|0.111871|4.022496|4.006872|3.472273|3.102192|3.108452|3.484303|4.778989|2.365876|8.007969|7.568927|10.622070|12.380108|0.244969|36.858105| |2.390793|2.563612|2.197287|2.697693|3.197257|0.085098|3.065783|3.055568|2.778504|2.563796|2.568938|2.788551|4.097144|2.081177|5.610284|4.918243|7.533164|7.537727|0.188084|12.461713|36.858105| |2.320867|2.419936|2.084293|2.455005|2.848687|0.078313|2.657508|2.669324|2.416675|2.210355|2.202200|2.393143|3.566235|1.818579|4.855568|4.413981|7.271779|6.455467|0.157015|7.549554|12.514211|36.858105| |2.621374|2.732910|2.332055|2.673810|3.047753|0.084298|2.708675|2.645748|2.335557|2.137246|2.167726|2.414306|3.406777|1.744047|5.318320|4.989234|8.170770|7.629331|0.190854|6.517932|7.682795|12.603065|53.358707| |2.582704|2.763263|2.391576|2.694897|3.002382|0.081161|2.663518|2.544151|2.256104|2.100831|2.164135|2.419315|3.348023|1.731869|5.287420|4.697772|7.342460|7.229986|0.212376|6.022768|7.306549|9.358998|25.693808|0.500000| |3.266982|3.376370|2.746039|3.278680|3.878911|0.109424|3.278143|3.174577|2.690016|2.406982|2.448158|2.804714|3.751498|1.892721|7.137111|7.732929|12.627703|12.471672|0.246148|7.549777|6.500651|7.614394|17.166301|0.258847|36.858105| |2.400694|2.436903|2.125110|2.325558|2.574319|0.072530|2.293633|2.256846|2.016254|1.852060|1.870181|2.061622|2.990376|1.542359|4.254294|3.833560|6.695072|4.956521|0.128863|4.361041|4.957330|7.537738|17.286573|0.263397|7.599841|36.858105| |2.368629|2.324561|2.016813|2.219005|2.480126|0.071764|2.223651|2.239505|2.003554|1.813841|1.803546|1.974245|2.942016|1.506246|3.967191|3.614932|6.754929|4.290129|0.106019|3.901782|4.170359|5.999765|10.342533|0.159389|6.400823|12.736319|36.858105| |2.443478|2.337153|2.034455|2.186346|2.408952|0.070835|2.136252|2.148683|1.914608|1.730104|1.721683|1.890182|2.806300|1.438366|3.755558|3.373962|6.518315|3.737190|0.093443|3.307930|3.361208|4.367909|7.393077|0.124428|5.312909|7.736461|15.035954|53.358707| |2.251644|2.125423|1.857168|2.020340|2.243228|0.066632|2.031013|2.087054|1.881263|1.688140|1.656501|1.795809|2.762097|1.410366|3.409878|3.027127|5.985885|3.244178|0.080199|3.020157|3.048520|3.856048|5.847974|0.099722|4.278921|5.391966|9.246890|18.743852|36.858105| |2.109445|2.019536|1.763981|1.962352|2.209507|0.065125|2.041296|2.126328|1.938263|1.734976|1.686555|1.809971|2.855278|1.453235|3.374642|3.000609|5.862461|3.287512|0.080313|3.222856|3.338557|4.336362|6.041590|0.101079|4.232287|5.317099|8.842245|11.629965|14.823918|53.358707| |2.171904|2.128009|1.851127|2.078092|2.353485|0.068217|2.166826|2.231239|2.025731|1.823714|1.786611|1.926948|2.985160|1.521622|3.709026|3.350555|6.319285|3.920149|0.095255|3.874801|4.230754|6.149568|8.473200|0.133006|5.316453|7.860317|14.584664|11.981447|9.066221|18.745891|73.516695| |2.170657|2.007072|1.772252|1.893335|2.072868|0.062166|1.881948|1.939146|1.756494|1.578119|1.545373|1.668980|2.594726|1.328389|3.060898|2.647417|5.293012|2.719620|0.068248|2.530135|2.502295|2.996023|4.477559|0.079691|3.390442|3.902922|5.507398|10.424760|13.108991|10.708974|9.619400|36.858105| |1.970577|1.818323|1.617804|1.736822|1.901625|0.057078|1.757287|1.833251|1.682565|1.510986|1.466432|1.566161|2.507285|1.283766|2.759493|2.346994|4.684933|2.380102|0.059902|2.274590|2.247647|2.626541|3.767839|0.067973|2.843692|3.151758|4.170946|6.900944|7.584909|8.676050|7.849593|14.069662|36.858105| |1.897661|1.732452|1.558909|1.642167|1.771238|0.053263|1.636243|1.699039|1.563990|1.412137|1.374337|1.466129|2.349807|1.208966|2.527916|2.108955|4.194241|2.101025|0.053592|1.992333|1.951925|2.225035|3.214082|0.059242|2.451954|2.648225|3.305446|5.420897|5.120761|5.915773|5.974017|8.237032|13.355657|36.858105| |2.012315|1.822307|1.646156|1.698480|1.809581|0.054462|1.648770|1.690241|1.543423|1.399234|1.374130|1.477594|2.315860|1.195292|2.581644|2.145804|4.259797|2.125913|0.054693|1.972076|1.921876|2.184557|3.240316|0.060266|2.496770|2.694129|3.305475|5.624705|4.909552|5.344793|5.671818|7.758122|8.266917|14.118031|36.858105| |2.267938|2.064236|1.844138|1.898228|2.027378|0.060907|1.812806|1.836664|1.654587|1.498749|1.484088|1.614648|2.456611|1.266021|2.956307|2.505273|4.977411|2.518411|0.064626|2.274196|2.220090|2.582242|3.986777|0.073360|3.086213|3.444043|4.377959|8.325876|6.848435|6.494858|7.003379|10.988729|7.427092|7.440515|11.100499|388.023441| |17.569180|8.700773|5.481475|6.632117|6.592053|0.238949|4.495203|3.999457|3.118777|2.756267|2.898599|3.579165|4.128884|2.073058|7.667095|5.466082|10.987640|3.938873|0.102787|3.178313|2.607415|2.551130|3.936541|0.077579|3.732246|2.632114|2.639890|3.720309|2.526739|3.214757|4.306274|2.424806|2.188816|2.088278|2.205985|17.823231|0.500000| |17.527481|8.767347|6.759851|6.819920|5.507806|0.175825|4.174828|3.631302|2.950062|2.702358|2.900527|3.552345|4.078337|2.084704|5.875027|3.876793|7.249009|3.019048|0.081657|2.573729|2.171106|2.097128|3.152269|0.063233|2.817789|2.134151|2.125509|2.982330|2.057084|2.644083|3.520592|2.006359|1.850843|1.797800|1.894898|14.858420|0.301157|0.500000| |17.551232|8.796548|7.040748|5.451411|4.589896|0.140814|3.432766|3.024698|2.500679|2.306351|2.468075|2.976609|3.539283|1.827168|5.668294|3.951742|7.351581|3.190568|0.087628|2.609355|2.242263|2.219012|3.457324|0.069767|3.111419|2.383933|2.356429|3.364634|2.260542|2.838837|3.795166|2.203765|1.988579|1.934999|2.083595|16.800650|0.302859|0.302079|0.500000| |8.912897|17.500983|8.935564|8.885615|6.761863|0.172897|4.462250|3.579517|2.881320|2.706397|3.026651|3.883896|4.041388|2.088332|9.528921|5.736893|9.024164|4.504593|0.132690|3.435006|2.852377|2.704613|4.281514|0.089459|3.964099|2.770838|2.588160|3.519443|2.300456|2.961188|4.137444|2.139498|1.910917|1.804325|1.904149|15.632941|0.214084|0.173531|0.211519|0.500000| 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|6.822190|8.842433|6.909776|17.536078|8.941114|0.210610|7.007160|4.965907|3.924067|3.783851|4.482452|6.303470|5.373915|2.750169|7.661104|4.265880|7.142638|3.295150|0.091646|2.902987|2.386470|2.187654|3.191897|0.065216|2.813795|2.075042|2.007888|2.711513|1.867970|2.474134|3.378985|1.773313|1.645552|1.569166|1.619237|12.675422|0.164267|0.204429|0.140663|0.174106|0.204679|0.170782|0.140750|0.304303|0.500000| |3.795610|3.748838|2.954940|4.660484|7.073794|0.225178|8.890536|17.697184|8.994415|5.650877|4.962546|5.675264|7.631493|3.335579|7.865485|5.565624|10.649729|4.111285|0.099521|4.155170|3.137837|2.811594|3.812134|0.073344|3.436351|2.401611|2.431358|3.195585|2.301256|3.189433|4.326233|2.140931|2.024519|1.867342|1.851163|14.311929|0.121655|0.104495|0.087992|0.099647|0.080346|0.077642|0.073173|0.112382|0.126104|0.500000| |2.624582|2.662543|2.281789|3.239700|4.091970|0.114266|5.606975|8.904825|17.737480|8.948924|5.664902|4.973238|13.501913|4.873709|4.940179|3.447869|6.185993|2.963367|0.075158|3.243052|2.654296|2.343359|3.042490|0.059403|2.543149|1.951627|1.966351|2.560918|1.875477|2.652042|3.583475|1.759419|1.703629|1.582279|1.547698|11.679743|0.078825|0.074141|0.063727|0.070946|0.063409|0.061813|0.057144|0.084815|0.091653|0.215532|0.500000| |2.575004|2.915013|2.684325|3.803315|4.062760|0.097056|5.632704|4.967973|5.635029|8.876933|17.762624|8.944892|12.476396|7.420081|4.866115|2.978796|4.827197|2.667049|0.074352|2.765373|2.356395|2.028505|2.716896|0.055851|2.213679|1.736536|1.665788|2.165337|1.528859|2.116895|2.929996|1.429996|1.359369|1.278807|1.280277|9.805812|0.071346|0.072679|0.062775|0.076533|0.075425|0.077680|0.064771|0.114269|0.109751|0.107752|0.124187|0.500000| |3.620884|4.521821|4.001247|6.958272|6.822624|0.141133|8.900093|5.661070|4.972483|5.670726|9.000505|17.722241|7.480022|3.922941|7.482977|4.021920|6.211738|3.391330|0.096987|3.254702|2.666487|2.302381|3.209757|0.066654|2.716489|2.023334|1.914827|2.501497|1.729625|2.355775|3.286988|1.609116|1.503145|1.412757|1.433234|11.181627|0.097769|0.099825|0.084945|0.115925|0.109520|0.118346|0.090982|0.237875|0.190178|0.124110|0.107889|0.219490|0.500000| |2.083881|2.235964|2.093965|2.724677|2.905545|0.074710|3.737424|3.817092|4.791671|7.069005|6.720924|4.580638|16.436239|17.569914|3.529414|2.306175|3.904223|2.100345|0.057472|2.211180|1.945055|1.717026|2.270757|0.046148|1.818929|1.484286|1.449623|1.896801|1.363101|1.897707|2.585965|1.290815|1.246365|1.180361|1.172379|8.821296|0.058210|0.059900|0.051840|0.058684|0.059839|0.059258|0.051998|0.077800|0.080363|0.088760|0.120791|0.221632|0.113589|0.500000| |1.847861|1.953630|1.815525|2.316267|2.531398|0.066337|3.171479|3.418113|4.420609|5.887563|4.898514|3.614372|16.993871|17.658050|3.188204|2.151652|3.672882|2.003715|0.054302|2.168392|1.938291|1.709564|2.218559|0.044830|1.752440|1.453390|1.426806|1.856278|1.345739|1.893732|2.577688|1.271914|1.236632|1.166431|1.148828|8.598182|0.052365|0.052546|0.046455|0.052162|0.051245|0.051149|0.045785|0.065490|0.066699|0.082336|0.121553|0.145334|0.089227|0.299947|0.500000| |2.005099|2.181806|2.024329|2.644584|2.888712|0.073109|3.703988|3.774388|4.731341|6.999665|6.700860|4.552561|16.427690|17.562795|3.682184|2.419452|4.014072|2.265997|0.062330|2.460520|2.180083|1.880177|2.443868|0.049898|1.932936|1.577779|1.525707|1.970799|1.411484|1.982815|2.734617|1.321371|1.271518|1.193690|1.181732|8.947884|0.056506|0.056348|0.050121|0.058624|0.056570|0.057959|0.050523|0.076917|0.074974|0.087782|0.119182|0.224033|0.113132|0.298727|0.300050|0.500000| |4.265663|5.471815|4.142448|6.843839|9.005229|0.180916|6.908999|5.152076|4.023873|3.783063|4.332779|5.880758|5.387169|2.709328|26.026501|9.475064|10.859937|7.533407|0.230575|5.985921|4.309859|3.578312|5.257586|0.110677|4.871200|3.050012|2.767051|3.515815|2.334970|3.169237|4.606757|2.087515|1.887026|1.729714|1.763926|14.325829|0.124992|0.103467|0.101273|0.174002|0.100339|0.118898|0.099736|0.202691|0.141611|0.133493|0.094584|0.104800|0.165781|0.073318|0.066087|0.078431|0.500000| |2.814984|3.119745|2.591617|3.531957|4.521027|0.113795|4.544513|4.440385|3.904152|3.564815|3.619137|4.044159|5.410625|2.671695|8.445301|6.808965|9.288542|8.804496|0.214984|17.589158|8.845875|5.508407|6.660077|0.133775|5.503473|3.544992|3.197440|3.802344|2.583535|3.719693|5.654991|2.223345|2.028167|1.804170|1.788481|14.440365|0.085417|0.071343|0.070566|0.094936|0.065983|0.073167|0.066275|0.099467|0.085219|0.121359|0.098733|0.088910|0.103928|0.068690|0.067137|0.078379|0.189343|0.500000| |2.821985|2.943865|2.415344|3.202318|4.154033|0.114561|4.038031|4.298442|3.727091|3.197467|3.085648|3.397646|4.948980|2.400314|7.296438|7.138551|11.486601|8.854926|0.173799|17.549227|8.834844|6.780087|7.738205|0.137311|6.792610|4.111473|3.956953|4.611671|3.204301|4.753117|7.298978|2.686582|2.441290|2.118364|2.070433|16.813261|0.088888|0.071494|0.071324|0.088913|0.061993|0.066201|0.062855|0.085693|0.078809|0.129653|0.099339|0.075275|0.085892|0.061981|0.061545|0.068270|0.141227|0.303581|0.500000| |2.327341|2.549324|2.220809|2.671847|3.073463|0.080102|2.934213|2.837308|2.595565|2.458305|2.519424|2.742967|3.937046|2.034925|5.404349|4.470235|6.669696|6.725628|0.197100|8.801085|17.511297|8.863836|9.376341|0.214070|5.663001|4.632947|3.723388|4.171747|2.737565|3.983671|6.475460|2.283496|2.050409|1.805131|1.794379|14.735806|0.069239|0.058603|0.060971|0.079462|0.056071|0.063316|0.058833|0.076202|0.065344|0.079181|0.068070|0.065163|0.074442|0.053092|0.052497|0.059852|0.120493|0.214849|0.173149|0.500000| |2.160603|2.297282|1.994168|2.446356|2.889185|0.077211|2.873655|2.936828|2.756952|2.556739|2.514914|2.653465|4.163723|2.115817|4.839451|4.084651|6.496444|5.488185|0.138825|8.811003|17.580660|8.984011|7.613201|0.147091|4.882302|4.112209|3.654535|4.077180|2.813657|4.286521|6.916841|2.341960|2.146808|1.866328|1.816738|14.643746|0.065140|0.055340|0.056257|0.069579|0.051302|0.056032|0.052680|0.068356|0.061201|0.083289|0.074369|0.064412|0.069789|0.054330|0.055223|0.061734|0.102884|0.210480|0.214849|0.304028|0.500000| |2.075227|2.164870|1.903585|2.183602|2.472946|0.067740|2.330896|2.333962|2.150795|1.997346|1.994214|2.141191|3.266767|1.686490|4.101315|3.562272|5.921168|4.856717|0.127045|5.483706|8.765738|17.622466|12.347012|0.224160|5.583870|7.150686|5.526732|5.513593|3.605917|5.551900|10.232604|2.828651|2.501211|2.127717|2.085071|17.392734|0.062493|0.052471|0.055664|0.066794|0.048522|0.053072|0.051647|0.060403|0.054572|0.067570|0.058211|0.051664|0.057707|0.044283|0.044325|0.048580|0.085051|0.123133|0.138782|0.214720|0.211900|0.500000| |2.295482|2.340019|2.005532|2.378256|2.792706|0.078497|2.626800|2.710015|2.459805|2.211463|2.164352|2.334043|3.584196|1.810401|4.633157|4.285232|7.486760|5.720898|0.131968|6.783236|8.772616|17.662998|12.365148|0.182233|6.991482|6.848110|6.615176|6.451291|4.413114|7.202598|13.907503|3.341808|2.946717|2.439468|2.353680|19.669856|0.070966|0.058026|0.060869|0.071612|0.051366|0.055000|0.054068|0.064255|0.059507|0.080937|0.067301|0.055025|0.061585|0.047384|0.047521|0.051503|0.092131|0.139063|0.198626|0.173013|0.213948|0.301304|0.500000| |3.203841|3.176079|2.577269|3.111148|3.755740|0.110371|3.232915|3.256012|2.758740|2.415236|2.403140|2.719199|3.781746|1.887627|6.513373|7.150450|13.977324|8.838193|0.173766|6.821839|5.759245|6.983894|12.316970|0.181474|17.677959|6.849009|7.107492|8.149374|5.057473|6.918773|11.116954|3.905031|3.255763|2.742970|2.753104|24.218002|0.104248|0.077876|0.084460|0.100075|0.064787|0.068783|0.069657|0.080766|0.075726|0.101196|0.073713|0.059932|0.071846|0.050262|0.048813|0.053022|0.118987|0.139599|0.200358|0.132263|0.129152|0.143465|0.211137|0.500000| |3.573038|3.663019|2.976408|3.373278|3.818044|0.108582|3.117298|2.951958|2.493042|2.252624|2.320139|2.683965|3.512467|1.787769|6.839511|6.912456|11.662762|8.747297|0.213717|5.478589|4.878358|5.580670|12.335245|0.222146|17.630108|7.242123|6.089107|7.569278|4.245328|5.369525|8.383981|3.455261|2.842701|2.494674|2.605417|23.504381|0.112894|0.083559|0.096981|0.123230|0.072408|0.079794|0.082073|0.088754|0.079886|0.088307|0.065178|0.058675|0.073450|0.048220|0.045966|0.050573|0.128583|0.122876|0.139038|0.127067|0.107529|0.126352|0.143796|0.301958|0.500000| |2.515906|2.556056|2.245064|2.378566|2.573963|0.072444|2.252345|2.180973|1.937227|1.790395|1.826966|2.031276|2.881850|1.494286|4.233566|3.741357|6.505301|4.658611|0.126607|3.870017|4.179323|5.565554|12.350300|0.233853|6.921937|17.656500|9.090835|10.091734|4.918176|6.114448|10.314506|3.772884|3.013202|2.601004|2.720932|25.299235|0.075934|0.061492|0.070541|0.081817|0.055922|0.061265|0.063300|0.064353|0.058710|0.064164|0.051737|0.047289|0.055983|0.040224|0.039023|0.042435|0.084313|0.090181|0.100130|0.113260|0.096993|0.147535|0.140191|0.165528|0.217127|0.500000| |2.125808|2.173543|1.929711|2.095238|2.297518|0.064125|2.088581|2.060575|1.871624|1.737308|1.752284|1.907838|2.834033|1.472519|3.739730|3.254043|5.619065|4.150895|0.111402|3.898716|4.721104|7.164106|12.366469|0.224768|5.573875|17.617236|8.949438|8.194622|4.662758|6.558641|12.475268|3.492219|2.910721|2.461814|2.478331|21.858284|0.063872|0.053131|0.058659|0.067879|0.048824|0.053207|0.053660|0.057291|0.052388|0.060275|0.050537|0.045565|0.052143|0.039279|0.038725|0.042000|0.075797|0.090485|0.101670|0.126366|0.112944|0.226077|0.175353|0.142217|0.145660|0.299908|0.500000| |1.867961|1.738975|1.546837|1.683805|1.858373|0.055560|1.740456|1.833749|1.698291|1.522558|1.466899|1.554614|2.540542|1.298339|2.697759|2.292321|4.552512|2.341078|0.058661|2.292220|2.283334|2.667180|3.705629|0.066600|2.760003|3.048464|4.005973|6.175307|6.733692|9.192171|8.056382|8.899168|17.752889|8.603983|5.740796|37.611354|0.057571|0.048986|0.051832|0.050618|0.040960|0.040937|0.043111|0.043975|0.044405|0.056255|0.048128|0.037766|0.041248|0.034859|0.034864|0.035711|0.051441|0.056810|0.069077|0.057396|0.061428|0.070862|0.084532|0.088227|0.074878|0.079067|0.079446|0.500000| |1.757515|1.606910|1.455362|1.533747|1.650102|0.049520|1.540157|1.606828|1.492347|1.350649|1.309368|1.387203|2.261752|1.165884|2.333004|1.924488|3.806365|1.908573|0.048879|1.831035|1.794397|2.018014|2.870543|0.053334|2.183061|2.326269|2.828603|4.462552|4.073966|5.001818|5.191193|5.730665|8.615726|17.764880|8.895607|37.671916|0.053389|0.046703|0.049621|0.046136|0.038926|0.038223|0.041013|0.039915|0.040995|0.048908|0.042161|0.033925|0.037083|0.031631|0.031372|0.031899|0.044485|0.046484|0.054162|0.046213|0.048097|0.053856|0.061306|0.067346|0.061257|0.063262|0.060800|0.201553|0.500000| 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