Version2.1 2020-12-18T02:51:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)NCCc1ccc(cc1)S(=O)(=O)N)[NH+]2CCN(CC2)Cc3nc4ccccc4s3 C22799631 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)NCCc1ccc(cc1)S(=O)(=O)N)[NH+]2CCN(CC2)Cc3nc4ccccc4s3 C01[X(C23H30N5O3S2)] 183 C1 563 O=C([C@@H]([NH+]1CCN(CC1)Cc1nc2c(s1)cccc2)C)NCCc1ccc(cc1)S(=O)(=O)N O=C([C@@H]([NH+]1CCN(CC1)Cc1nc2c(s1)cccc2)C)NCCc1ccc(cc1)S(=O)(=O)N C[C@H]([NH+]1CCN(CC1)Cc2sc3ccccc3n2)C(=O)NCCc4ccc(cc4)[S](N)(=O)=O InChIKey=AKBCYSKBYNCADS-KRWDZBQOSA-O InChI=1S/C23H29N5O3S2/c1-17(23(29)25-11-10-18-6-8-19(9-7-18)33(24,30)31)28-14-12-27(13-15-28)16-22-26-20-4-2-3-5-21(20)32-22/h2-9,17H,10-16H2,1H3,(H,25,29)(H2,24,30,31)/p+1/t17-/m0/s1 InChI=1/C23H29N5O3S2/c1-17(23(29)25-11-10-18-6-8-19(9-7-18)33(24,30)31)28-14-12-27(13-15-28)16-22-26-20-4-2-3-5-21(20)32-22/h2-9,17H,10-16H2,1H3,(H,25,29)(H2,24,30,31)/p+1/t17-/m0/s1/fC23H30N5O3S2/h25,28H,24H2/q+1 C[C@@H](C(=O)NCCc1ccc(cc1)S(=O)(=O)N)[NH+]2CCN(CC2)Cc3nc4ccccc4s3 C01[X(C23H30N5O3S2)] 183 C01 563 O=C([C@@H]([NH+]1CCN(CC1)Cc1nc2c(s1)cccc2)C)NCCc1ccc(cc1)S(=O)(=O)N O=[C]([NH]CC[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N)[C@@H]([NH]1CCN(CC1)CC1=N[C]2[C]([CH][CH][CH][CH]2)S1)C C[C@H]([NH]1CCN(CC1)CC2=N[C]3[CH][CH][CH][CH][C]3S2)C(=O)NCC[C]4[CH][CH][C]([CH][CH]4)[S](N)(=O)=O InChIKey=AQAQKXVSKXEWPN-KRWDZBQOSA-N InChI=1S/C23H30N5O3S2/c1-17(23(29)25-11-10-18-6-8-19(9-7-18)33(24,30)31)28-14-12-27(13-15-28)16-22-26-20-4-2-3-5-21(20)32-22/h2-9,17,28H,10-16H2,1H3,(H,25,29)(H2,24,30,31)/t17-/m0/s1 InChI=1/C23H30N5O3S2/c1-17(23(29)25-11-10-18-6-8-19(9-7-18)33(24,30)31)28-14-12-27(13-15-28)16-22-26-20-4-2-3-5-21(20)32-22/h2-9,17,28H,10-16H2,1H3,(H,25,29)(H2,24,30,31)/t17-/m0/s1/f/h25H,24H2 3426.0260562518 -2180.04724 1-A 41692.4527 129 434 563 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12.45 14.03 20.48 28.05 31.52 39.68 51.56 71.13 75.88 105.37 120.04 143.09 176.70 193.97 217.41 229.62 271.53 283.10 295.60 305.91 340.04 348.96 386.32 413.14 425.03 443.85 468.33 475.62 486.60 513.15 525.66 590.46 597.59 602.59 627.85 653.78 664.22 674.44 690.13 711.24 737.28 761.02 767.30 782.70 785.72 810.55 822.39 841.72 864.62 923.69 938.25 950.15 1000.68 1010.63 1024.00 1049.42 1102.72 1109.01 1170.20 1170.58 1179.21 1184.14 1218.00 1238.55 1240.04 1293.96 1301.03 1329.61 1357.74 1368.56 1377.96 1396.29 1409.16 1413.83 1456.97 1466.88 1554.09 1561.27 1566.97 1573.46 1590.45 1604.05 1605.77 1606.73 1608.33 1618.15 1626.69 1647.43 1656.47 1658.50 1678.41 1702.97 1721.63 1738.57 1741.14 1754.17 1760.00 1762.28 1798.40 1806.92 1819.15 1825.54 1874.20 1882.90 1886.25 1887.34 1899.49 1908.09 1944.55 1955.91 1973.64 1998.64 2025.63 2041.94 2062.92 2085.85 2091.61 2106.59 2109.92 2116.20 2129.19 2139.09 2145.70 2187.82 2217.30 2234.57 2240.09 2257.90 2261.68 2275.16 2281.32 2303.65 2328.08 2338.60 2340.84 2346.69 2356.13 2356.78 2360.32 2365.74 2369.93 2370.95 2381.30 2395.02 2416.76 2498.62 2535.14 2544.44 2548.99 2565.84 2605.89 2608.37 2755.69 4498.46 4510.39 4545.51 4635.50 4660.63 4687.42 4691.18 4695.11 4709.91 4714.17 4733.19 4744.69 4757.51 4781.97 4798.44 4812.85 4814.47 4838.10 4840.75 4848.71 4853.01 4868.84 4883.92 4894.22 4911.99 4912.48 5175.87 5408.06 5572.34 5604.11 0.563831 0.593187 0.594131 0.495846 -2179.483409 -2179.454053 -2179.453109 -2179.551394 3.296495D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE C[C@@H](C(=O)NCCc1ccc(cc1)S(=O)(=O)N)[NH+]2CCN(CC2)Cc3nc4ccccc4s3 C22799631 RHF 6-31G(d) (6D,10F) C1 488.179009 |X|Y|Z| 49.740630 39.137599 194.129823 72.299047 27 6 7 16 22 4 1 |36.858105| |12.474309|36.858105| |8.893001|17.576936|0.500000| |7.302475|12.352197|0.249894|36.858105| |5.261797|8.065836|0.184459|15.773997|73.516695| |6.429645|7.757857|0.184822|14.351886|15.082826|53.358707| |4.333279|4.958672|0.125971|7.782088|12.056912|17.696012|36.858105| |3.542794|4.145950|0.114487|5.826355|9.843698|10.384042|12.428808|36.858105| |2.811709|3.161512|0.086530|4.133925|7.397195|6.780962|7.588123|12.586965|36.858105| |2.531705|2.879878|0.078106|3.721574|7.119998|5.624203|5.773100|7.561076|13.699647|36.858105| |2.158902|2.391780|0.064909|2.952375|5.586604|4.399983|4.226200|5.018042|7.900154|13.774143|36.858105| |2.025827|2.189257|0.059705|2.638488|4.825235|4.022125|3.799875|4.445319|6.870858|7.974056|13.750722|36.858105| |2.156414|2.300162|0.063072|2.766443|4.896049|4.374369|4.187902|5.013654|7.899557|6.871504|7.907488|13.758532|36.858105| |2.528021|2.725091|0.074990|3.370585|5.838263|5.572468|5.678815|7.549766|13.709053|7.952941|6.872564|7.974779|13.765732|36.858105| |1.714022|1.825768|0.049811|2.131961|3.902159|3.173858|2.835296|3.145680|4.192896|4.738508|6.967091|10.757279|6.968362|4.738303|388.023441| |1.658410|1.735563|0.047292|2.001922|3.598532|3.014943|2.661488|2.879747|3.699824|3.853509|4.984151|7.368423|6.504850|4.435503|94.759045|73.516695| |1.659654|1.775453|0.048080|2.071841|3.858237|3.023739|2.671805|2.880436|3.699626|4.435110|6.501517|7.367158|4.985338|3.853710|94.751993|13.543691|73.516695| |1.589105|1.700789|0.047042|1.955305|3.579927|2.872318|2.494959|2.846143|3.648055|4.046872|5.438482|7.035297|5.434197|4.044701|82.295058|13.661918|13.671489|53.358707| |7.507331|12.672091|0.255279|7.867009|13.245300|7.106707|3.921535|3.402727|2.746200|2.618016|2.214221|2.004057|2.055497|2.367622|12.101759|2.856423|2.990566|2.167740|53.358707| |5.738383|9.561233|0.219544|8.322948|17.263109|7.173764|4.134085|3.663921|2.951395|2.867802|2.394966|2.129279|2.158106|2.486862|12.769366|2.979700|3.172265|2.289737|25.557534|0.500000| |5.801452|7.578341|0.209333|5.112774|8.739569|5.298663|3.089875|2.830402|2.344126|2.243392|1.935562|1.771239|1.816030|2.063989|10.868077|2.573973|2.682027|1.975309|17.307286|0.257058|36.858105| |4.110985|4.956832|0.133516|3.959974|7.310254|4.263724|2.636199|2.446699|2.096641|2.058369|1.804500|1.643805|1.660177|1.852570|10.230318|2.413681|2.553610|1.865564|10.462629|0.197947|12.512209|36.858105| |3.978108|4.453760|0.112247|3.684965|6.806286|4.047405|2.533045|2.292048|1.995135|1.970258|1.744339|1.593492|1.603955|1.775374|9.989471|2.367088|2.509883|1.805734|9.113682|0.167167|7.868904|13.205496|53.358707| |4.316090|4.955188|0.116591|4.342544|8.323489|4.640126|2.905627|2.550177|2.215261|2.203080|1.935298|1.750993|1.754155|1.947525|10.893754|2.572463|2.751860|1.945869|10.503525|0.201750|6.660187|8.006635|17.920549|36.858105| |6.444057|7.514671|0.155416|6.022516|10.643564|6.084231|3.556873|2.988214|2.511666|2.433862|2.100241|1.908185|1.941378|2.196995|11.681208|2.771936|2.917949|2.070667|17.222924|0.261780|7.696287|6.645439|10.731308|12.552599|36.858105| |3.067234|3.331418|0.086405|2.911275|5.437910|3.325390|2.153042|1.980085|1.763799|1.762122|1.585153|1.452607|1.451432|1.584556|9.233572|2.188966|2.334463|1.676840|6.079909|0.118733|5.098667|7.843340|17.911511|7.826721|5.107077|36.858105| |2.830542|2.918483|0.074802|2.585753|4.743350|3.038824|1.986849|1.809493|1.630616|1.626336|1.478436|1.366345|1.367068|1.482237|8.758521|2.091014|2.218333|1.583717|5.012030|0.096079|3.966037|5.100867|10.529468|6.175761|4.451228|12.609282|36.858105| |3.061833|3.034931|0.076221|2.670519|4.803086|3.168314|2.056973|1.842865|1.657534|1.640958|1.491464|1.385439|1.393541|1.513857|8.869449|2.129199|2.241266|1.593752|5.096797|0.094937|3.872164|4.543281|9.231994|6.133556|4.795806|7.730052|15.045368|53.358707| |2.594535|2.525737|0.064173|2.275515|4.076156|2.771628|1.831744|1.649337|1.504024|1.491933|1.371568|1.283074|1.289226|1.388241|8.297681|2.001756|2.101144|1.491249|4.037193|0.076436|3.032149|3.423781|6.184718|4.314019|3.645094|5.207802|8.675138|18.628037|36.858105| |2.532189|2.392019|0.060529|2.172515|3.836363|2.698825|1.791288|1.601412|1.467167|1.447972|1.337344|1.260262|1.271455|1.365870|8.176846|1.985645|2.067002|1.463577|3.685374|0.069408|2.703879|2.902793|4.989353|3.643027|3.316210|3.879496|5.408962|10.503615|13.686850|36.858105| |2.151752|2.040898|0.052312|1.882812|3.332785|2.372194|1.597493|1.441684|1.335158|1.321663|1.231798|1.166486|1.174571|1.252119|7.636351|1.859969|1.933837|1.369898|3.083004|0.058911|2.268631|2.425509|3.997529|2.912099|2.680408|3.153801|4.170813|7.019684|7.996200|13.831496|36.858105| |1.928277|1.863756|0.048306|1.730130|3.092714|2.175869|1.476275|1.347771|1.254520|1.249108|1.168796|1.105306|1.107996|1.176121|7.270517|1.766308|1.846273|1.310723|2.830170|0.054785|2.110511|2.301953|3.744082|2.677358|2.409201|3.073733|4.063571|6.248142|6.895409|7.892809|13.627933|36.858105| |1.951428|1.920824|0.049997|1.777376|3.207775|2.209841|1.496477|1.374066|1.275746|1.275406|1.190097|1.119461|1.118572|1.189002|7.348461|1.776150|1.868792|1.329316|2.972549|0.057901|2.249543|2.528423|4.158805|2.900958|2.519017|3.600172|4.975376|7.108282|7.851821|6.769984|7.882798|13.813689|36.858105| |2.227977|2.210772|0.057160|2.019658|3.657871|2.471700|1.655164|1.512612|1.391340|1.389663|1.286009|1.202896|1.202654|1.286717|7.833965|1.886387|1.990068|1.415687|3.512786|0.067982|2.681108|3.097282|5.347429|3.641766|3.037451|4.859679|7.797585|11.043360|13.697582|7.906038|6.931446|8.034215|13.717926|36.858105| |2.245904|2.304805|0.060274|2.100544|3.866181|2.529383|1.691754|1.564010|1.433399|1.439694|1.326591|1.231750|1.226360|1.314729|7.996623|1.911913|2.033672|1.453350|3.768494|0.074145|2.963122|3.655578|6.331670|4.037483|3.173092|6.763231|10.844017|10.051036|7.430554|4.882762|4.255002|4.691943|6.707292|10.897488|388.023441| |17.594604|8.879972|0.221008|6.471427|8.248912|9.060388|4.484061|3.721168|2.921287|2.560924|2.184862|2.079704|2.254390|2.674604|12.455449|3.035701|2.978986|2.214313|7.525654|0.128455|4.643354|3.436667|4.454563|3.478120|4.744599|2.628436|2.446317|3.568399|2.279479|2.248536|1.948251|1.756580|1.768132|1.988091|14.207227|0.500000| |17.596637|8.785327|0.207884|5.394709|7.644418|6.453530|3.486409|2.984128|2.438909|2.228813|1.931517|1.820457|1.925929|2.220521|11.119802|2.695565|2.700679|1.989912|9.499327|0.143963|6.357409|4.418857|5.831507|4.358386|6.183258|3.278144|3.040420|4.510727|2.784181|2.707803|2.280736|2.036689|2.064121|2.371713|16.962388|0.305230|0.500000| |17.611592|8.723714|0.173259|6.735701|9.047341|8.468968|4.386555|3.427279|2.787823|2.532254|2.176030|2.044344|2.167611|2.519369|12.347490|2.998593|3.006144|2.165955|8.838385|0.144541|4.871394|3.757614|5.257261|4.411642|6.747662|3.024551|2.873932|4.341215|2.725616|2.710215|2.287950|2.021763|2.024040|2.305676|16.195720|0.301807|0.300603|0.500000| |7.255659|7.379754|0.183733|9.457479|10.858022|26.084571|8.983609|6.278216|4.370729|3.576062|2.900285|2.735358|3.037219|3.841845|15.608877|3.771484|3.682583|2.721100|6.510139|0.127006|3.746191|2.972865|3.847738|3.155828|4.135306|2.332570|2.155521|3.084677|1.996269|1.962308|1.728402|1.578456|1.593476|1.774711|12.799687|0.240779|0.144641|0.188965|0.500000| |4.036543|4.241611|0.108045|5.851077|8.981316|12.577198|17.610577|8.799269|6.898416|5.136949|4.041915|3.848829|4.430683|6.011940|20.602479|4.978585|4.783297|3.407986|4.621646|0.096411|2.749594|2.367150|3.142827|2.625312|3.189339|1.985868|1.863749|2.651021|1.756352|1.739617|1.560962|1.436820|1.444280|1.584957|11.377910|0.119596|0.091277|0.116791|0.229274|0.500000| |3.997011|4.643877|0.114474|7.334974|13.307935|12.531164|17.649748|8.814793|6.923174|6.181535|4.503388|3.859633|4.009751|5.065761|20.647205|4.764128|5.011570|3.422454|5.368855|0.118734|3.056617|2.679497|3.563313|3.084879|3.720317|2.235740|2.065190|2.905901|1.899335|1.851553|1.649191|1.525722|1.549757|1.717212|12.498826|0.109339|0.090993|0.115955|0.182170|0.302998|0.500000| |3.535138|4.387716|0.124076|6.231788|11.410745|9.504232|8.882558|17.569111|8.889760|7.119964|4.719722|3.987407|4.215771|5.678094|20.771004|4.666044|4.867659|3.694449|5.030601|0.114625|3.076598|2.665670|3.333309|2.717411|3.144767|2.107539|1.894812|2.596430|1.693087|1.625613|1.459280|1.371195|1.408875|1.559332|11.611638|0.100396|0.083679|0.093124|0.155028|0.173694|0.212300|0.500000| |3.553362|4.033021|0.115718|5.227007|8.305752|9.484233|8.851368|17.548900|8.884951|5.653458|4.205436|3.985300|4.728506|7.157728|20.762645|4.874904|4.664086|3.683496|4.391613|0.093995|2.759445|2.354348|2.977474|2.383941|2.798887|1.892166|1.733654|2.406815|1.587657|1.546519|1.395649|1.304340|1.326981|1.456823|10.685969|0.107872|0.083719|0.093328|0.180328|0.211534|0.173559|0.302654|0.500000| |2.628696|3.077294|0.083038|4.047208|8.210942|5.790192|5.678480|7.012354|8.898932|17.705878|8.952514|5.666135|4.950343|5.647960|27.861500|5.749089|6.908136|4.726321|3.892988|0.089189|2.427145|2.244983|2.913135|2.415394|2.645289|1.909040|1.744182|2.379446|1.577811|1.518715|1.380253|1.307353|1.342652|1.471184|10.930971|0.072471|0.064333|0.072833|0.099438|0.131943|0.180633|0.212768|0.143252|0.500000| |2.006318|2.225840|0.060255|2.706582|5.218794|3.912478|3.603777|4.090585|5.626993|8.905183|17.755343|8.921485|5.638609|4.954910|47.321699|8.173573|13.267811|7.314358|2.867002|0.063594|1.853685|1.754479|2.318659|1.890785|2.017632|1.562849|1.458899|1.993952|1.351222|1.314018|1.214230|1.157341|1.181202|1.273930|9.372309|0.055795|0.050321|0.056323|0.071711|0.095029|0.109282|0.111720|0.096777|0.215388|0.500000| |2.002921|2.099199|0.057716|2.464269|4.310458|3.881065|3.562270|4.086794|5.627121|4.954352|5.638074|8.923174|17.755271|8.902285|47.321731|13.277659|8.175332|7.302793|2.557613|0.054252|1.677954|1.536898|2.027328|1.617461|1.784807|1.354525|1.283538|1.784790|1.220256|1.208903|1.121858|1.058508|1.065117|1.139975|8.229809|0.058518|0.050098|0.055993|0.076603|0.107101|0.093966|0.097050|0.112037|0.107533|0.124201|0.500000| |2.620273|2.765027|0.076715|3.346018|5.591812|5.687005|5.516475|6.990240|8.897567|5.646441|4.950856|5.668044|8.955123|17.705242|27.867859|6.911180|5.750298|4.724722|3.206034|0.067661|2.066887|1.834470|2.388521|1.909734|2.175035|1.561089|1.464552|2.044620|1.378913|1.362088|1.248454|1.169257|1.178581|1.274364|9.222258|0.078748|0.063852|0.072099|0.113868|0.171737|0.128804|0.144036|0.215155|0.124002|0.107542|0.215509|0.500000| |1.516379|1.608555|0.044611|1.829555|3.316081|2.696393|2.313657|2.617879|3.271250|3.471114|4.382420|5.673451|4.937832|3.726257|60.962896|13.654179|10.537566|25.905893|2.044623|0.043789|1.376654|1.298391|1.711424|1.348211|1.435901|1.169458|1.108029|1.520093|1.048116|1.031449|0.967795|0.925971|0.937193|0.995506|7.247796|0.043325|0.038892|0.042144|0.052701|0.065184|0.064042|0.068929|0.070493|0.083521|0.117671|0.146011|0.092088|0.500000| |1.515648|1.627748|0.044998|1.862220|3.441402|2.697459|2.315228|2.613869|3.264798|3.719036|4.926911|5.660591|4.373714|3.464137|60.981679|10.553771|13.670901|25.906151|2.096952|0.045346|1.409311|1.341593|1.769240|1.399221|1.476022|1.213540|1.145787|1.564048|1.076697|1.054357|0.988762|0.949184|0.964540|1.026039|7.509711|0.042829|0.038901|0.042167|0.051971|0.063878|0.065543|0.070535|0.068591|0.091898|0.145789|0.117471|0.083394|0.317388|0.500000| |6.332453|6.883916|0.188062|4.532301|7.384404|4.966614|2.887460|2.620661|2.187699|2.073079|1.806406|1.674154|1.729583|1.960004|10.337602|2.470303|2.542213|1.876982|12.368475|0.180680|17.646866|8.861998|9.646402|5.817467|6.963616|4.811298|3.988232|5.503957|3.178052|2.871649|2.389988|2.196735|2.318537|2.760214|21.116414|0.139026|0.221445|0.144874|0.101304|0.073103|0.078390|0.077245|0.072049|0.061366|0.047926|0.044762|0.055090|0.036525|0.037116|0.500000| |5.237259|7.111878|0.235340|5.007857|8.524856|5.288461|3.103589|2.945804|2.415061|2.296700|1.971567|1.804598|1.856556|2.121386|11.027437|2.604349|2.705131|2.021868|12.373211|0.223375|17.618369|8.807182|7.702125|4.992587|5.614295|4.171890|3.312443|4.351732|2.601749|2.349405|2.015113|1.894248|2.014243|2.354723|18.543099|0.124886|0.154085|0.118945|0.104226|0.076093|0.083750|0.090469|0.080897|0.068974|0.052256|0.047593|0.059165|0.039159|0.040034|0.299461|0.500000| |3.602317|4.125483|0.115815|3.332691|6.032102|3.731460|2.338687|2.205963|1.910053|1.870950|1.656715|1.521648|1.539884|1.708265|9.547742|2.260617|2.377983|1.753264|7.638314|0.144617|9.012545|17.602960|12.476095|5.735830|4.968740|7.304835|4.904437|5.800422|3.306608|2.794458|2.367312|2.275761|2.519232|3.066633|26.207133|0.086328|0.110384|0.090971|0.073563|0.059061|0.065345|0.066359|0.059732|0.056175|0.044799|0.039849|0.047210|0.034032|0.035064|0.218181|0.212772|0.500000| |3.660999|4.597643|0.125863|3.951492|7.697867|4.226555|2.672954|2.524975|2.174413|2.165544|1.892655|1.705509|1.706786|1.900228|10.596478|2.479054|2.656859|1.939039|9.320027|0.206981|8.843974|17.405057|12.208729|7.118574|5.766907|6.739589|4.457853|5.311253|3.052660|2.607601|2.221722|2.135594|2.352746|2.837084|24.161045|0.087142|0.104519|0.093879|0.080175|0.065837|0.076335|0.077870|0.066731|0.066525|0.051428|0.043644|0.051765|0.037324|0.038879|0.173589|0.216009|0.301818|0.500000| |3.837922|4.115225|0.097472|3.737413|7.057140|4.184051|2.682808|2.339313|2.070756|2.068392|1.841759|1.676352|1.675069|1.841327|10.532433|2.499021|2.673821|1.872858|7.653574|0.147124|4.971269|5.748800|12.496833|17.673848|9.034901|7.325726|7.048222|10.453279|5.237565|4.355189|3.373013|3.051997|3.298168|4.227632|31.857013|0.087613|0.107976|0.113575|0.079894|0.068670|0.079689|0.068131|0.060769|0.062480|0.050209|0.043121|0.050147|0.036108|0.037460|0.130104|0.109416|0.127959|0.144658|0.500000| |3.822782|4.617465|0.111270|4.371285|9.029383|4.626538|2.978371|2.651302|2.318982|2.349353|2.056409|1.834904|1.817250|2.011702|11.390094|2.663758|2.897230|2.036381|9.421253|0.213561|5.832415|7.171576|12.236011|17.407468|8.840648|6.725038|5.153697|6.572845|3.664791|3.132381|2.595787|2.438597|2.656488|3.255665|26.361828|0.088289|0.103714|0.107468|0.085274|0.073598|0.089607|0.079842|0.067800|0.072828|0.056255|0.046225|0.054161|0.038980|0.040839|0.134096|0.131439|0.144930|0.212995|0.300969|0.500000| |6.123000|7.058456|0.142706|6.793097|12.366623|6.885256|4.075694|3.273740|2.756669|2.682136|2.298616|2.074322|2.104254|2.388109|12.599447|2.984672|3.158758|2.205499|12.361984|0.228868|5.622390|4.976786|7.703702|8.809925|17.648463|4.172394|3.800265|5.613180|3.308084|3.101922|2.552876|2.288975|2.361699|2.786470|20.291695|0.129803|0.149338|0.195303|0.125331|0.101003|0.122826|0.094489|0.083246|0.081270|0.061208|0.053397|0.065169|0.042316|0.043583|0.142776|0.126800|0.109234|0.129788|0.213199|0.214303|0.500000| |7.156709|6.786123|0.144597|5.120972|8.434716|5.585581|3.255969|2.738747|2.319502|2.219971|1.938236|1.788117|1.835678|2.070474|11.031529|2.644129|2.742327|1.957451|12.312888|0.182174|6.989466|5.862999|9.773164|8.916860|17.671858|4.858467|4.536442|7.114094|3.960924|3.691421|2.917268|2.561628|2.638429|3.184683|22.796218|0.141641|0.210301|0.216970|0.110850|0.083594|0.092336|0.078434|0.072726|0.065828|0.051558|0.047340|0.057634|0.037931|0.038674|0.208138|0.142704|0.131325|0.133940|0.218351|0.173893|0.298295|0.500000| |2.861886|3.091825|0.082640|2.676132|4.938284|3.093654|2.006189|1.872588|1.669783|1.662118|1.499806|1.380814|1.383208|1.508274|8.804897|2.090186|2.218202|1.610124|5.458341|0.106365|4.893093|7.559655|12.568822|5.706812|4.254466|17.580007|9.028752|8.278247|4.534882|3.476779|2.914021|2.892089|3.402781|4.444279|45.065347|0.069268|0.086176|0.076870|0.060840|0.051540|0.057213|0.055446|0.050181|0.049793|0.041039|0.035974|0.041425|0.031275|0.032382|0.130863|0.115727|0.237325|0.178929|0.145570|0.142601|0.097870|0.115208|0.500000| |2.794243|3.102318|0.080754|2.820514|5.421159|3.224906|2.126685|1.971112|1.772182|1.793595|1.618218|1.472612|1.458618|1.584226|9.385092|2.212410|2.388120|1.706045|5.586464|0.115074|4.453916|6.621808|12.235654|7.134478|4.610356|17.450387|8.934882|8.176212|4.494561|3.448374|2.895365|2.877751|3.388881|4.420234|45.099412|0.067350|0.080748|0.076953|0.062069|0.054228|0.062043|0.058669|0.051875|0.054412|0.044650|0.037700|0.043026|0.032948|0.034436|0.112221|0.105616|0.166813|0.185086|0.187651|0.200114|0.109994|0.116299|0.303541|0.500000| |2.812439|2.589493|0.064720|2.337547|4.072620|2.916951|1.920047|1.696125|1.546094|1.515607|1.394785|1.317229|1.335578|1.440962|8.508340|2.072003|2.143833|1.516384|3.936492|0.073065|2.832483|2.944252|5.033518|3.780625|3.610890|3.687223|4.816841|9.493164|8.903130|17.734663|8.886656|5.611035|4.899676|5.633532|28.840099|0.068942|0.083740|0.085250|0.059275|0.052059|0.054984|0.047533|0.045549|0.044015|0.037884|0.035279|0.040055|0.029696|0.030246|0.084657|0.067922|0.077684|0.072874|0.125444|0.088776|0.094505|0.115526|0.091334|0.090535|0.500000| |2.067897|1.938376|0.049720|1.799537|3.164235|2.294927|1.552652|1.399006|1.300813|1.284104|1.201247|1.143428|1.154103|1.227341|7.508469|1.837066|1.899084|1.344554|2.872822|0.054895|2.094850|2.195058|3.541672|2.613844|2.475505|2.722481|3.428840|5.655869|5.669395|8.959176|17.729089|8.899240|5.634473|4.983346|24.407527|0.052510|0.060613|0.061450|0.046693|0.042472|0.044410|0.039092|0.037712|0.037053|0.032847|0.030726|0.034076|0.026441|0.026925|0.061474|0.052114|0.059432|0.056107|0.082953|0.065222|0.066387|0.075095|0.070416|0.069988|0.214098|0.500000| |1.749229|1.690196|0.044053|1.581081|2.824450|2.005245|1.370522|1.257195|1.177205|1.173195|1.103619|1.047375|1.049300|1.108928|6.926714|1.686601|1.759980|1.250503|2.534917|0.049335|1.886915|2.039571|3.243052|2.329842|2.125901|2.633452|3.325474|4.963261|4.964707|5.637176|8.892080|17.729713|8.965606|5.687677|27.343222|0.044694|0.051079|0.050846|0.040482|0.037199|0.039288|0.035444|0.033858|0.033998|0.030398|0.027929|0.030634|0.024584|0.025178|0.054413|0.047569|0.056221|0.053036|0.072630|0.059766|0.056613|0.062416|0.069723|0.069434|0.123763|0.215564|0.500000| |1.782120|1.769559|0.046445|1.648260|2.987945|2.055055|1.400810|1.296872|1.209796|1.213599|1.136842|1.069755|1.066125|1.129128|7.052025|1.702889|1.796134|1.280365|2.726569|0.053613|2.074336|2.341445|3.758395|2.608349|2.266893|3.282695|4.290944|5.762862|5.599445|4.899679|5.613317|8.905400|17.735456|8.854336|43.900126|0.045179|0.052143|0.050983|0.041108|0.037529|0.040282|0.037012|0.034813|0.035491|0.031435|0.028228|0.031045|0.025088|0.025864|0.058914|0.052217|0.065400|0.061342|0.080712|0.067678|0.059275|0.065108|0.088145|0.087941|0.106641|0.123913|0.215186|0.500000| 2177.716277 -11953.477131 4407.992246 -238.305006 -5606.073615 3426.026303 -2180.047312 2.001070 408AFFFFFFFFFFC3 44F273A73BF028A7 44723CF06AB0185E 42681A20ECFBFFFE B815A4574DFAB5EF 445EE975A49BF18D