Version2.0 2020-01-24T15:22:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)N([C@@H](c2ccc(o2)C)C(=O)NC[C@H]3CCCO3)C(=O)c4c(c(ns4)C(=O)N)N)C C12714925 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)N([C@@H](c2ccc(o2)C)C(=O)NC[C@H]3CCCO3)C(=O)c4c(c(ns4)C(=O)N)N)C C01[X(C25H29N5O5S1)] 189 C1 602 Cc1ccc(c(c1)N(C(=O)c1snc(c1N)C(=O)N)[C@@H](c1ccc(o1)C)C(=O)NC[C@H]1CCCO1)C Cc1ccc(c(c1)N(C(=O)c1snc(c1N)C(=O)N)[C@@H](c1ccc(o1)C)C(=O)NC[C@H]1CCCO1)C Cc1oc(cc1)[C@H](N(C(=O)c2snc(C(N)=O)c2N)c3cc(C)ccc3C)C(=O)NC[C@H]4CCCO4 InChIKey=YGKZWRWUJKIYHD-IERDGZPVSA-N InChI=1S/C25H29N5O5S/c1-13-6-7-14(2)17(11-13)30(25(33)22-19(26)20(23(27)31)29-36-22)21(18-9-8-15(3)35-18)24(32)28-12-16-5-4-10-34-16/h6-9,11,16,21H,4-5,10,12,26H2,1-3H3,(H2,27,31)(H,28,32)/t16-,21+/m1/s1 InChI=1/C25H29N5O5S/c1-13-6-7-14(2)17(11-13)30(25(33)22-19(26)20(23(27)31)29-36-22)21(18-9-8-15(3)35-18)24(32)28-12-16-5-4-10-34-16/h6-9,11,16,21H,4-5,10,12,26H2,1-3H3,(H2,27,31)(H,28,32)/t16-,21+/m1/s1/f/h28H,27H2 Cc1ccc(c(c1)N([C@@H](c2ccc(o2)C)C(=O)NC[C@H]3CCCO3)C(=O)c4c(c(ns4)C(=O)N)N)C C01[X(C25H29N5O5S1)] 189 C01 602 Cc1ccc(c(c1)N(C(=O)c1snc(c1N)C(=O)N)[C@@H](c1ccc(o1)C)C(=O)NC[C@H]1CCCO1)C Cc1ccc(c(c1)N([C@@H](c1ccc(o1)C)C(=O)NC[C@H]1CCCO1)C(=O)[C@@H]1SN[C@@H]([C@H]1N)C(=O)N)C Cc1oc(cc1)[C@H](N(C(=O)[C@@H]2SN[C@@H]([C@H]2N)C(N)=O)c3cc(C)ccc3C)C(=O)NC[C@H]4CCCO4 InChIKey=ZXOKLLUYXWOOHM-QAGBHRCTSA-N InChI=1S/C25H33N5O5S/c1-13-6-7-14(2)17(11-13)30(25(33)22-19(26)20(23(27)31)29-36-22)21(18-9-8-15(3)35-18)24(32)28-12-16-5-4-10-34-16/h6-9,11,16,19-22,29H,4-5,10,12,26H2,1-3H3,(H2,27,31)(H,28,32)/t16-,19-,20+,21+,22-/m1/s1 InChI=1/C25H33N5O5S/c1-13-6-7-14(2)17(11-13)30(25(33)22-19(26)20(23(27)31)29-36-22)21(18-9-8-15(3)35-18)24(32)28-12-16-5-4-10-34-16/h6-9,11,16,19-22,29H,4-5,10,12,26H2,1-3H3,(H2,27,31)(H,28,32)/t16-,19-,20+,21+,22-/m1/s1/f/h28H,27H2 4237.6808486067 -2007.6803841 1-A 20708.9345 135 467 602 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.99615 -20.62483 -20.56090 -20.53314 -20.52286 -20.51750 -15.61072 -15.59156 -15.58213 -15.57359 -15.55187 -11.36166 -11.35960 -11.34083 -11.30022 -11.29135 -11.28977 -11.28710 -11.28636 -11.28088 -11.27598 -11.26383 -11.25350 -11.25274 -11.23930 -11.23329 -11.23286 -11.23136 -11.22989 -11.22988 -11.22877 -11.22507 -11.22156 -11.22061 -11.21716 -11.21689 -9.00212 -6.68483 -6.68293 -6.68135 -1.47129 -1.40113 -1.39938 -1.39154 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1.80957 1.81196 1.83115 1.84806 1.85109 1.86301 1.86658 1.88201 1.91740 1.92615 1.93289 1.94957 1.96489 1.97233 1.97987 2.01632 2.02264 2.04211 2.04944 2.05705 2.05996 2.07638 2.09370 2.09545 2.09880 2.10465 2.11508 2.12142 2.12705 2.13024 2.13335 2.14667 2.14746 2.15420 2.15775 2.16181 2.16628 2.17522 2.18033 2.18346 2.18727 2.19461 2.20556 2.21192 2.21797 2.22132 2.22796 2.23513 2.24161 2.24517 2.25869 2.26646 2.27906 2.29112 2.29691 2.30170 2.31879 2.32670 2.33120 2.34665 2.35158 2.35911 2.36987 2.37860 2.38243 2.38672 2.40475 2.40999 2.41724 2.42750 2.43148 2.43602 2.44853 2.46280 2.46669 2.48219 2.48949 2.50794 2.51079 2.51821 2.52449 2.53156 2.54336 2.55035 2.55258 2.55954 2.56456 2.57679 2.58727 2.59692 2.60474 2.61148 2.61802 2.62809 2.63130 2.63352 2.65020 2.66108 2.66289 2.67478 2.68709 2.69065 2.69677 2.69897 2.70820 2.71576 2.72068 2.72462 2.74009 2.74135 2.74463 2.75529 2.76645 2.77411 2.79788 2.80968 2.82337 2.83340 2.83641 2.84690 2.85474 2.87908 2.89042 2.89507 2.90973 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1534.69 1552.67 1555.31 1564.17 1573.30 1600.42 1623.79 1625.74 1635.35 1647.26 1684.46 1686.00 1692.24 1694.01 1695.98 1735.51 1755.81 1763.93 1799.85 1827.62 1831.63 1854.37 1863.23 1890.13 1894.52 1895.21 1920.42 1923.69 1930.24 1953.65 1987.14 1990.77 2004.75 2037.10 2059.95 2083.77 2093.85 2112.91 2122.56 2138.00 2155.68 2196.78 2209.23 2210.88 2229.54 2251.18 2257.22 2258.51 2269.25 2274.41 2294.92 2325.32 2327.99 2348.42 2350.33 2353.00 2354.12 2354.65 2367.76 2377.09 2379.19 2419.76 2423.00 2469.66 2501.09 2527.45 2547.59 2566.76 2593.39 2617.94 2627.00 2669.39 2809.18 2812.07 4594.72 4605.29 4609.62 4621.12 4628.91 4638.17 4645.79 4661.87 4688.90 4703.25 4704.56 4713.96 4715.34 4720.96 4733.33 4738.89 4747.06 4752.16 4766.20 4820.41 4850.68 4895.46 4934.80 4956.66 5507.69 5529.78 5579.93 5694.94 5722.00 0.563313 0.597117 0.598061 0.491411 -2007.117071 -2007.083268 -2007.082323 -2007.188973 3.577059D-04 MUNgauss RevisionA2.0 retrievium 24-Jan-2020 DUDE Cc1ccc(c(c1)N([C@@H](c2ccc(o2)C)C(=O)NC[C@H]3CCCO3)C(=O)c4c(c(ns4)C(=O)N)N)C C12714925 RHF 6-31G(d) (6D,10F) C1 511.188941 |X|Y|Z| 113.907591 78.403372 39.836513 70.858112 27 6 7 8 16 21 3 2 1 |36.858105| |12.607164|36.858105| |7.525871|13.752657|36.858105| |5.001912|7.892472|13.736451|36.858105| |4.391221|6.737938|7.872376|13.744479|36.858105| |5.013027|7.879535|6.918938|8.012360|13.624838|36.858105| |7.563071|13.704093|8.018107|6.929614|7.861651|13.757976|36.858105| |3.852009|5.126423|4.550515|5.152177|7.774276|13.289258|7.843207|53.358707| |3.389681|4.210539|3.755472|4.111897|5.538398|7.568404|5.857080|17.706449|36.858105| |2.862483|3.465412|3.214386|3.592005|4.759407|5.772825|4.507785|12.618339|17.654070|0.500000| |3.414453|4.245997|3.931368|4.326527|5.536735|6.620057|5.425043|10.395810|12.718224|0.254789|36.858105| |2.882789|3.494434|3.437947|3.893219|4.764696|4.947442|4.105824|7.354608|7.365731|0.196401|14.210730|36.858105| |2.907333|3.424601|3.411335|3.716128|4.158469|4.198915|3.778718|5.678062|5.140958|0.131139|8.570547|13.235260|36.858105| |3.475046|4.058737|3.866057|3.971665|4.316649|4.615066|4.459389|5.948638|5.303225|0.124821|8.734535|8.575173|14.197554|36.858105| |3.981378|4.836675|4.294402|4.378094|5.083389|6.127903|5.917438|8.111048|7.771050|0.160957|14.121820|8.655684|8.655163|14.158152|73.516695| |3.588452|3.904576|3.698724|3.559891|3.590983|3.792635|3.967792|4.718939|3.922494|0.094209|5.337539|5.145811|7.322411|12.792305|14.040341|36.858105| |3.347482|3.856909|3.273937|3.345677|4.104598|5.544517|5.238529|10.471492|12.343525|0.248500|7.620105|5.186435|4.191410|4.610911|11.708249|3.707879|36.858105| |3.784788|4.219809|3.403893|3.333919|3.958348|5.516935|5.853690|9.395866|7.907736|0.168360|5.683587|4.105856|3.549892|4.041944|9.952025|3.476928|15.877609|73.516695| |2.777252|3.086122|2.711461|2.777472|3.293298|4.068592|3.871313|7.089114|7.860054|0.206189|6.294105|4.905366|4.048653|4.282022|9.799955|3.494514|14.166327|15.088658|53.358707| |2.528811|2.688657|2.355071|2.357798|2.694378|3.245899|3.239819|5.297328|5.008929|0.133744|4.342230|3.640512|3.231650|3.459741|7.407015|3.035134|7.778693|12.088086|17.943320|36.858105| |2.225721|2.339564|2.096918|2.103279|2.355872|2.725768|2.713054|4.271156|3.972565|0.109068|3.802625|3.420516|3.163981|3.320519|6.627136|2.977734|5.202459|8.119833|10.671533|12.533432|36.858105| |2.333452|2.440327|2.184744|2.174878|2.410762|2.777113|2.799224|4.235565|3.958006|0.105358|4.032793|3.644200|3.506280|3.770448|7.371250|3.431820|5.036919|7.903458|9.613577|8.926405|17.560937|0.500000| |1.977007|2.032805|1.831019|1.820692|2.003078|2.282180|2.303207|3.494560|3.059381|0.084391|2.918722|2.680304|2.535567|2.656044|5.165882|2.477260|3.835755|6.441888|6.803257|7.451559|12.373252|0.242146|36.858105| |1.761751|1.830972|1.676384|1.690493|1.868020|2.093939|2.067758|3.238042|2.807173|0.080344|2.653225|2.504246|2.332207|2.366345|4.543176|2.178828|3.352827|5.518066|5.861169|5.681682|7.916550|0.162621|12.435042|36.858105| |1.776093|1.876154|1.736879|1.774900|1.977305|2.195041|2.125016|3.420922|3.053469|0.089471|2.955514|2.869993|2.647558|2.614360|4.946375|2.352788|3.516949|5.517000|6.361375|5.514248|8.179372|0.176475|8.060019|12.507854|36.858105| |2.030281|2.172124|1.991596|2.040326|2.306484|2.608049|2.509582|4.146653|3.899769|0.113893|3.765231|3.570584|3.216291|3.196720|6.208357|2.790070|4.657223|6.931764|9.439031|7.994859|13.440118|0.259714|8.054442|8.196628|13.541445|73.516695| |3.307587|4.126222|3.732400|4.154152|5.708149|7.680307|5.697730|18.998401|8.022293|0.211620|5.156088|4.111824|3.278767|3.352365|7.532773|2.787316|6.321695|10.763877|6.336000|3.684669|2.939553|0.078478|2.473693|2.342714|2.436801|5.129842|36.858105| |2.800487|3.328461|3.041835|3.334138|4.322680|5.346368|4.338938|11.659456|7.408319|0.232438|4.742320|3.927896|3.098913|3.100473|6.808965|2.580682|6.454118|10.309025|6.995331|4.063263|3.191299|0.082676|2.677765|2.590573|2.703559|5.699712|15.698737|73.516695| |3.299717|4.057880|3.751649|4.131890|5.311711|6.399052|5.201708|10.401433|5.044213|0.133751|3.828492|3.230714|2.722469|2.799608|6.009468|2.428228|4.397083|8.112765|4.733163|2.958590|2.434719|0.065338|2.125002|2.023339|2.070035|4.224038|12.875055|14.605425|36.858105| |2.724504|3.177034|2.998214|3.253753|3.922007|4.381068|3.807268|6.936325|3.916156|0.109486|3.091316|2.714780|2.320784|2.353888|4.897058|2.075608|3.596667|6.597155|4.114705|2.669550|2.229053|0.059062|1.990101|1.930074|1.957608|3.909220|7.640375|12.160528|13.842765|36.858105| |2.668807|3.041699|2.920999|3.109343|3.532118|3.771872|3.446229|5.411330|3.138517|0.085949|2.619134|2.338594|2.060205|2.104096|4.288040|1.899343|2.930928|5.481129|3.414650|2.270790|1.936729|0.051835|1.758623|1.700846|1.712699|3.373472|5.122317|8.057599|8.264594|13.107263|36.858105| |3.062203|3.522911|3.408745|3.577457|3.936672|4.140975|3.881370|5.501251|3.114608|0.082761|2.661153|2.362131|2.112093|2.184711|4.449330|1.991732|2.885927|5.475837|3.317133|2.199574|1.885266|0.051112|1.707352|1.631464|1.644528|3.252667|4.840373|7.171660|7.717283|8.206554|14.852120|53.358707| |3.932724|4.919758|4.638774|4.925997|5.707686|6.342931|5.754613|7.775258|3.984569|0.101292|3.351047|2.873994|2.543641|2.672953|5.605037|2.399738|3.558192|6.806242|3.905400|2.511849|2.123793|0.058170|1.882106|1.772022|1.801607|3.634624|6.526256|8.513521|10.916557|7.478679|7.839819|15.877047|388.023441| |2.242802|2.474413|2.400796|2.526447|2.782434|2.908551|2.719359|4.159277|2.556782|0.071099|2.188958|1.996125|1.782143|1.808668|3.614789|1.652982|2.438619|4.530389|2.937452|1.999410|1.734512|0.046254|1.603155|1.567811|1.568848|3.037585|3.751865|6.320693|5.088302|7.286143|12.695328|10.772377|35.077191|36.858105| |2.025140|2.218579|2.144901|2.260746|2.507132|2.634567|2.454558|3.871067|2.451937|0.069426|2.092675|1.922750|1.710243|1.723422|3.431415|1.571384|2.364737|4.346695|2.901545|1.992806|1.734232|0.045845|1.613806|1.596530|1.593622|3.060519|3.512094|6.229160|4.445172|6.434393|8.053051|7.418296|28.272652|15.810468|73.516695| |2.173388|2.359568|2.319062|2.409720|2.567072|2.629449|2.511120|3.625182|2.251388|0.061941|1.977901|1.817915|1.649964|1.680834|3.319591|1.556774|2.152124|4.015122|2.608273|1.788941|1.571502|0.042242|1.462117|1.424795|1.423587|2.741878|3.114496|5.173658|4.064329|5.060613|7.945003|9.592988|31.273725|14.208348|15.099628|53.358707| |2.342748|2.674613|2.534624|2.746590|3.281053|3.621179|3.170846|5.959660|3.676558|0.108068|2.901445|2.599443|2.206813|2.204648|4.534102|1.938370|3.451062|6.148325|4.119325|2.705655|2.269135|0.059154|2.040566|2.019800|2.048951|4.049246|6.357504|12.509144|7.770678|14.146580|7.758906|7.265845|34.941869|6.288330|12.037155|5.962393|53.358707| |3.257700|4.392624|5.009633|7.566249|12.618195|7.489796|4.991406|8.905769|5.101897|0.135819|5.062674|4.850862|4.019717|3.818283|7.570326|3.121352|3.680835|6.045060|4.215895|2.528269|2.246956|0.063144|1.915646|1.826278|1.960653|4.031422|5.427516|7.777076|5.003318|3.929643|3.472011|5.017563|34.364052|2.789537|4.541747|3.465653|4.644271|36.858105| |17.538366|8.842246|6.009379|4.348977|3.946365|4.538573|6.535457|4.951580|3.147780|0.075014|3.048495|2.587728|2.558194|2.975320|6.077625|3.018252|3.171195|6.520195|3.591110|2.442517|2.131299|0.061216|1.918831|1.717647|1.713154|3.452520|3.272829|4.939469|3.390170|2.838136|2.842322|4.509445|29.717373|2.391211|3.804133|3.179906|3.287855|3.020405|0.500000| |17.559026|8.839610|5.752459|4.243700|3.937782|4.646012|6.899385|5.124665|3.480037|0.080837|3.550039|2.959613|3.027114|3.733052|7.676814|3.974503|3.583779|7.324542|4.072848|2.758368|2.429190|0.071622|2.152056|1.885532|1.891718|3.866456|3.204802|4.930140|3.086005|2.572022|2.472342|3.755247|24.651430|2.098900|3.418549|2.743487|3.070779|3.011134|0.302402|0.500000| |17.570419|8.836616|7.188066|4.725350|3.931345|4.170545|5.585450|4.453384|2.936662|0.070421|3.034943|2.653133|2.737491|3.233482|6.263914|3.448647|2.862602|5.586965|3.328105|2.244262|2.018804|0.059032|1.810042|1.623682|1.642002|3.303775|2.847393|4.359311|2.861671|2.419066|2.402498|3.745212|24.236619|2.057033|3.310094|2.750261|2.863076|3.010014|0.301869|0.301467|0.500000| |6.957463|8.923152|17.697441|8.944371|5.629824|4.974427|5.673402|4.926982|3.112942|0.075823|3.289090|2.975397|3.034049|3.407567|6.428477|3.409844|2.788340|5.156311|3.233663|2.106180|1.905220|0.055279|1.686116|1.547385|1.597945|3.219858|3.092443|4.621036|3.152779|2.620149|2.609704|4.137590|27.625123|2.201281|3.504974|2.946873|3.059072|4.099175|0.157149|0.147087|0.219010|0.500000| |4.087843|5.637876|8.944395|17.709966|8.945704|5.673856|4.980888|5.669500|3.481126|0.087699|3.710737|3.530239|3.431774|3.536074|6.585392|3.223337|2.867205|5.022903|3.341439|2.109749|1.913685|0.054918|1.672071|1.567062|1.650852|3.336360|3.530608|5.216789|3.565974|2.934713|2.856286|4.434032|29.792129|2.378772|3.798490|3.129770|3.431554|7.037088|0.101125|0.098141|0.112696|0.217228|0.500000| |6.974392|8.871116|5.668484|4.983974|5.637155|9.012591|17.741234|9.960411|5.975030|0.126125|5.201514|3.860672|3.544504|4.228716|10.239167|3.820855|6.152103|13.914409|5.936741|3.710332|3.003456|0.085632|2.544162|2.245003|2.272390|4.804807|5.686938|8.013460|5.035807|3.783082|3.375496|5.034128|36.879274|2.692639|4.373296|3.355130|4.368069|4.091113|0.179753|0.199814|0.140470|0.124126|0.108040|0.500000| |2.544889|3.053704|3.058118|3.529845|4.343401|4.348978|3.549550|6.716254|6.400330|0.197151|8.835449|17.787501|8.440782|5.842504|10.469237|4.034826|4.563208|6.468347|6.075913|3.379274|3.207218|0.092275|2.553475|2.456627|2.854974|6.198707|4.008270|7.041864|3.167988|2.721408|2.328435|3.153351|19.622052|2.003750|3.461187|2.471639|3.618058|4.838544|0.064630|0.071654|0.065554|0.074450|0.091398|0.093014|0.500000| |2.578478|2.968023|3.025253|3.291002|3.555524|3.471429|3.167464|4.662540|4.036868|0.107143|5.842124|8.443047|17.798087|8.827108|10.470526|6.323563|3.416534|5.271751|4.606214|2.813034|2.829859|0.086847|2.326568|2.169640|2.473646|5.193444|2.809426|4.775340|2.397182|2.084675|1.873973|2.611161|16.105597|1.642747|2.812156|2.084604|2.718591|3.546746|0.063530|0.074082|0.068810|0.076820|0.087387|0.082660|0.193021|0.500000| |4.283127|4.621432|4.387499|4.023086|3.864423|4.038602|4.414770|4.758702|3.742716|0.088825|4.842457|4.491374|5.806528|8.947937|12.472818|17.556910|3.518190|6.078504|4.354631|2.803309|2.683036|0.083962|2.274531|2.007717|2.132441|4.441518|2.804980|4.520057|2.496080|2.117441|1.961425|2.841898|18.080154|1.699231|2.846046|2.193240|2.652156|3.222939|0.096308|0.131972|0.116532|0.113584|0.100028|0.114915|0.100399|0.141436|0.500000| |3.473650|3.614518|3.297261|3.115866|3.175965|3.468762|3.729254|4.444063|3.751012|0.090230|4.828841|4.481024|5.790719|8.934998|12.472848|17.555363|3.786195|6.412406|4.983051|3.283280|3.275807|0.108116|2.726194|2.339651|2.501099|5.288311|2.677602|4.471148|2.331270|2.010258|1.838287|2.608949|16.257722|1.608649|2.731162|2.059860|2.572655|2.773212|0.082419|0.110733|0.091674|0.084888|0.078111|0.104415|0.100232|0.141068|0.301658|0.500000| |3.072905|3.307112|3.254961|3.192406|3.175951|3.232039|3.301149|4.068921|3.344323|0.083282|4.428684|4.621022|6.840268|8.982594|10.214359|17.596511|3.136115|5.207666|4.129017|2.680708|2.696423|0.085798|2.284348|2.040665|2.219994|4.590010|2.467179|4.107855|2.178444|1.891025|1.742736|2.478985|15.337558|1.532966|2.599962|1.974575|2.422608|2.862745|0.073119|0.092346|0.084131|0.085593|0.083030|0.087752|0.105034|0.189690|0.300434|0.300505|0.500000| |2.531967|2.841808|2.571456|2.692000|3.209782|3.808635|3.490497|6.643233|7.531809|0.228382|6.456022|5.460520|4.314007|4.286582|9.306277|3.406400|9.382782|10.864706|26.050505|9.125488|7.346046|0.184019|4.716911|4.350019|5.132525|14.266930|4.391175|8.830401|3.287632|2.897682|2.401857|3.154902|19.199380|2.082800|3.680815|2.517170|4.015571|3.135911|0.066558|0.074710|0.062897|0.062918|0.067049|0.104658|0.143967|0.100899|0.085272|0.097183|0.083972|0.500000| |2.758142|2.863094|2.450541|2.397424|2.697217|3.296614|3.439826|5.193625|4.668493|0.118133|4.109933|3.378520|3.092928|3.438117|7.445387|3.118289|7.390504|13.660971|12.599247|17.634388|8.864977|0.217019|6.614848|4.770839|4.406921|10.199281|3.576542|6.729022|2.944221|2.634721|2.276202|3.040804|18.249331|1.998978|3.509937|2.452545|3.558042|2.464291|0.074308|0.085285|0.067306|0.060981|0.059146|0.113192|0.085406|0.074735|0.081259|0.095545|0.075474|0.181021|0.500000| |2.335022|2.478769|2.190158|2.205816|2.523580|3.009793|2.970798|4.970573|4.465696|0.124621|3.733951|3.205331|2.818221|2.952017|6.212231|2.609988|6.448498|10.559517|12.397827|17.518056|8.875658|0.174470|7.006134|6.060571|5.476544|12.551372|3.657559|7.470100|2.978745|2.763321|2.333045|3.022089|17.647620|2.075148|3.725923|2.505342|3.911047|2.404459|0.063673|0.069654|0.057757|0.054627|0.055187|0.093844|0.085160|0.069235|0.068002|0.077094|0.065005|0.204993|0.301929|0.500000| |1.906209|1.940520|1.756549|1.737006|1.887014|2.125555|2.162301|3.185025|2.758185|0.075396|2.716825|2.534146|2.463607|2.592806|4.916786|2.476179|3.351319|5.681819|5.696322|5.616419|8.782459|0.226763|17.562858|8.808431|6.759030|11.447930|2.229352|4.215211|1.938757|1.812818|1.621152|2.159270|12.428082|1.483133|2.643698|1.856711|2.509384|1.800367|0.051150|0.057903|0.048913|0.045285|0.044530|0.065810|0.066708|0.063578|0.062817|0.076682|0.064080|0.111296|0.148768|0.141621|0.500000| |2.025773|2.058859|1.835891|1.808998|1.982814|2.278926|2.333776|3.475665|2.970069|0.080837|2.772509|2.501190|2.363438|2.509862|4.952341|2.365661|3.802727|6.693900|6.420077|7.276776|8.680527|0.186956|17.575198|8.670414|5.749126|10.488346|2.491495|4.777588|2.165034|2.036521|1.806985|2.387226|13.685185|1.650385|2.953719|2.048992|2.835250|1.878003|0.055183|0.061446|0.051255|0.046992|0.045979|0.072620|0.065933|0.060011|0.061336|0.072310|0.060184|0.118156|0.201535|0.203949|0.302476|0.500000| |1.618989|1.669045|1.537466|1.546081|1.690887|1.874181|1.859260|2.853031|2.423568|0.069102|2.321224|2.218118|2.097689|2.124885|4.015188|1.988046|2.823665|4.727625|4.721950|4.347217|5.683177|0.130441|8.665792|17.581200|8.705091|10.358947|2.068977|4.024438|1.818180|1.747276|1.558325|2.038858|11.469543|1.449833|2.628416|1.805401|2.486152|1.656324|0.043949|0.048031|0.041758|0.039721|0.040062|0.055711|0.060632|0.054907|0.051101|0.059272|0.052262|0.097317|0.107446|0.127053|0.219135|0.193028|0.500000| |1.759283|1.834952|1.677555|1.696878|1.886649|2.124221|2.086981|3.327458|2.850357|0.082481|2.612229|2.441359|2.234968|2.263082|4.407982|2.068399|3.423895|5.680878|5.897902|5.720156|6.667116|0.136738|8.784211|17.557469|8.851965|12.324157|2.462074|4.930573|2.129486|2.055052|1.798829|2.324726|13.086908|1.663839|3.035550|2.043696|2.967488|1.851277|0.048026|0.051961|0.044851|0.042890|0.043634|0.063152|0.067067|0.057478|0.053517|0.061054|0.053590|0.120410|0.132128|0.190584|0.174247|0.218140|0.301318|0.500000| |1.700642|1.786621|1.664855|1.697040|1.869993|2.051281|1.995908|3.133792|2.771066|0.080237|2.774206|2.750808|2.610157|2.567593|4.728084|2.346945|3.114004|4.935362|5.426729|4.525434|6.676590|0.165937|6.817736|8.789883|17.509700|16.504322|2.205490|4.268584|1.894463|1.787425|1.581204|2.081940|11.915318|1.452707|2.612945|1.808303|2.524051|1.853745|0.045350|0.050404|0.044023|0.042830|0.044097|0.058813|0.075754|0.068888|0.058627|0.069653|0.062357|0.120863|0.106206|0.119969|0.186754|0.137593|0.217352|0.174028|0.500000| |1.685959|1.794539|1.676826|1.730667|1.937319|2.129596|2.032214|3.344725|2.954672|0.088948|2.825782|2.787764|2.529347|2.448983|4.622262|2.183883|3.292076|5.136928|5.782063|4.693627|5.954393|0.134710|5.732030|8.665397|17.609786|16.719111|2.420519|4.845214|2.061468|1.971901|1.718701|2.227499|12.641419|1.583154|2.879713|1.948171|2.849025|1.952244|0.045319|0.049372|0.043396|0.042857|0.044955|0.059795|0.078986|0.066106|0.055350|0.063408|0.057601|0.133538|0.105194|0.135827|0.136839|0.127103|0.193657|0.218401|0.300736|0.500000| |2.340187|2.538611|2.510921|2.588438|2.709698|2.752501|2.657797|3.691938|2.267425|0.061597|2.009697|1.841628|1.682674|1.724493|3.403808|1.605390|2.157525|4.050109|2.593909|1.773181|1.558993|0.042183|1.446220|1.399204|1.399799|2.706409|3.107317|5.032753|4.092017|4.770741|7.497726|11.085564|34.434355|9.337913|10.827450|26.096236|5.370307|2.640902|0.070468|0.059499|0.060609|0.065422|0.068643|0.071710|0.050741|0.043353|0.046513|0.043221|0.041497|0.050911|0.049923|0.050223|0.037620|0.041348|0.036184|0.040735|0.036413|0.038909|0.500000| |1.964370|2.105562|2.072888|2.144135|2.266403|2.314337|2.224041|3.201509|2.030982|0.056173|1.800711|1.668406|1.522950|1.547448|3.031950|1.440746|1.957435|3.638787|2.404409|1.664980|1.474715|0.039592|1.383304|1.354613|1.349636|2.578811|2.714062|4.598626|3.390999|4.139302|5.749614|7.019163|25.447872|9.463935|13.650347|26.080539|5.181509|2.261778|0.058483|0.050977|0.051123|0.054273|0.057284|0.060980|0.046424|0.039493|0.041302|0.039020|0.037475|0.047511|0.046524|0.047748|0.035930|0.039581|0.035201|0.039683|0.035056|0.037773|0.307154|0.500000| |2.333991|2.667496|2.502973|2.711910|3.287374|3.709215|3.220673|6.453646|4.141952|0.125810|3.163499|2.815655|2.350404|2.337046|4.850154|2.030663|3.925051|6.820038|4.722530|3.065015|2.532150|0.065196|2.252748|2.243361|2.286288|4.557633|7.078559|16.662553|7.124064|9.497154|5.726780|5.997802|31.337146|4.755924|9.062272|4.870148|26.091202|3.427875|0.066132|0.063302|0.057987|0.061364|0.068738|0.091890|0.080446|0.058729|0.056120|0.055229|0.051642|0.094460|0.080754|0.091725|0.055913|0.063655|0.055773|0.067846|0.056819|0.065212|0.091660|0.088489|0.500000| |2.140782|2.395047|2.281223|2.442619|2.834430|3.073785|2.767857|4.864794|3.095582|0.090443|2.522348|2.291786|1.979473|1.978518|4.010191|1.763331|2.972814|5.347055|3.634666|2.450111|2.085654|0.054312|1.909109|1.903384|1.914018|3.721673|4.795636|9.291190|5.772546|9.481730|7.276894|6.696621|29.979618|7.168800|16.220209|6.496941|26.071696|2.938315|0.061754|0.057313|0.053889|0.057037|0.063072|0.078068|0.065127|0.050274|0.049279|0.047955|0.045273|0.072415|0.066060|0.072791|0.048099|0.054362|0.048241|0.057250|0.048284|0.054477|0.113965|0.117993|0.306578|0.500000| |3.005767|3.928253|4.268351|5.838715|8.838779|6.698113|4.576414|9.137497|5.882714|0.163864|6.125246|6.269531|4.777420|4.277963|8.413736|3.330766|3.994835|6.262561|4.659923|2.724063|2.439417|0.068644|2.047326|1.960707|2.141078|4.451747|5.368536|8.136783|4.518686|3.639447|3.126742|4.368507|28.845243|2.565128|4.273665|3.158990|4.499366|17.589732|0.076937|0.079485|0.077076|0.099025|0.151107|0.108545|0.182415|0.115272|0.092540|0.081774|0.085135|0.098959|0.072424|0.071428|0.053327|0.055121|0.049126|0.054996|0.056201|0.059426|0.065910|0.057926|0.095221|0.078970|0.500000| |3.016804|3.941115|4.316888|5.942020|8.834817|6.584076|4.546754|8.728483|4.785001|0.132616|4.357962|4.106619|3.387588|3.243677|6.508282|2.708387|3.559390|5.915989|4.085331|2.477319|2.180202|0.060348|1.876500|1.805901|1.925119|3.925596|6.107730|8.659873|6.033931|4.762609|4.128855|5.848473|39.304959|3.238041|5.235109|3.945383|5.517495|17.555668|0.080050|0.077369|0.076965|0.100328|0.154973|0.107384|0.117035|0.084057|0.077239|0.068465|0.069239|0.084228|0.066833|0.066696|0.048661|0.051400|0.045515|0.051387|0.050183|0.053668|0.082908|0.070675|0.110769|0.095316|0.302408|0.500000| |3.022201|3.954984|4.774929|7.314856|8.886005|5.557566|4.171604|6.523914|4.018070|0.108243|4.172492|4.214169|3.711223|3.484067|6.550359|2.941021|3.073968|5.112679|3.630319|2.230350|2.021881|0.057116|1.746028|1.671107|1.793446|3.637509|4.168733|6.260234|4.032082|3.349801|3.091376|4.510872|29.303418|2.563232|4.174969|3.258509|4.021405|17.583474|0.077708|0.077068|0.079902|0.114060|0.226095|0.096189|0.118002|0.094576|0.085019|0.072019|0.076718|0.075329|0.060596|0.059021|0.045985|0.047482|0.042464|0.046852|0.047545|0.049674|0.069385|0.059620|0.081456|0.072501|0.301747|0.302038|0.500000| 2005.340929 -13192.206267 5181.491596 -239.987857 -6245.361599 4237.681154 -2007.680445 2.001167 40D0620000000000 4563843787457EB8 44E28127600535C7 4235F8CF9DBFFFFF B7DA22391F5F0C00 4467E4F94BB9A519