Version2.1 2021-01-14T18:38:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(C[C@H]2[C@@H](CO1)C(=S)[NH+]=C(N2CCCCCc3[nH]c4ccccc4n3)c5ccccc5)C C38689057 RHF 6-31G(d) (6D,7F) CC1(C[C@H]2[C@@H](CO1)C(=S)[NH+]=C(N2CCCCCc3[nH]c4ccccc4n3)c5ccccc5)C C01[X(C27H33N4O1S1)] 192 C1 565 S=C1[NH+]=C(c2ccccc2)N([C@@H]2[C@H]1COC(C2)(C)C)CCCCCc1nc2c([nH]1)cccc2 S=C1[NH+]=C(c2ccccc2)N([C@@H]2[C@H]1COC(C2)(C)C)CCCCCc1nc2c([nH]1)cccc2 CC1(C)C[C@H]2[C@@H](CO1)C(=S)[NH+]=C(N2CCCCCc3[nH]c4ccccc4n3)c5ccccc5 InChIKey=NMYOETAFGBBAHF-OFNKIYASSA-O InChI=1S/C27H32N4OS/c1-27(2)17-23-20(18-32-27)26(33)30-25(19-11-5-3-6-12-19)31(23)16-10-4-7-15-24-28-21-13-8-9-14-22(21)29-24/h3,5-6,8-9,11-14,20,23H,4,7,10,15-18H2,1-2H3,(H,28,29)/p+1/t20-,23+/m1/s1 InChI=1/C27H32N4OS/c1-27(2)17-23-20(18-32-27)26(33)30-25(19-11-5-3-6-12-19)31(23)16-10-4-7-15-24-28-21-13-8-9-14-22(21)29-24/h3,5-6,8-9,11-14,20,23H,4,7,10,15-18H2,1-2H3,(H,28,29)/p+1/t20-,23+/m1/s1/fC27H33N4OS/h28,30H/q+1 CC1(C[C@H]2[C@@H](CO1)C(=S)[NH+]=C(N2CCCCCc3[nH]c4ccccc4n3)c5ccccc5)C C01[X(C27H33N4O1S1)] 192 C01 565 S=C1[NH+]=C(c2ccccc2)N([C@@H]2[C@H]1COC(C2)(C)C)CCCCCc1nc2c([nH]1)cccc2 S=C1[NH][C]([N]([C@@H]2[C@H]1COC(C2)(C)C)CCCCCC1=[N][C]2[C]([CH][CH][CH][CH]2)N1)[C]1[CH][CH][CH][CH][CH]1 CC1(C)C[C@H]2[C@@H](CO1)C(=S)N[C]([C]3[CH][CH][CH][CH][CH]3)N2CCCCCC4=N[C]5[CH][CH][CH][CH][C]5N4 InChIKey=AWBURDKJXSBFMZ-OFNKIYASSA-N InChI=1S/C27H33N4OS/c1-27(2)17-23-20(18-32-27)26(33)30-25(19-11-5-3-6-12-19)31(23)16-10-4-7-15-24-28-21-13-8-9-14-22(21)29-24/h3,5-6,8-9,11-14,20,23H,4,7,10,15-18H2,1-2H3,(H,28,29)(H,30,33)/t20-,23+/m1/s1 InChI=1/C27H33N4OS/c1-27(2)17-23-20(18-32-27)26(33)30-25(19-11-5-3-6-12-19)31(23)16-10-4-7-15-24-28-21-13-8-9-14-22(21)29-24/h3,5-6,8-9,11-14,20,23H,4,7,10,15-18H2,1-2H3,(H,28,29)(H,30,33)/t20-,23+/m1/s1/f/h28,30H 3382.4264818245 -1731.6625844 1-A 25923.2750 123 442 565 |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| -92.04882 -20.67711 -15.79741 -15.79240 -15.67153 -15.60059 -11.54218 -11.49209 -11.43583 -11.41211 -11.40659 -11.40566 -11.40415 -11.38889 -11.38555 -11.38519 -11.37176 -11.36986 -11.36873 -11.36795 -11.36064 -11.35319 -11.33221 -11.32731 -11.31948 -11.31946 -11.31129 -11.31089 -11.29890 -11.28475 -11.27864 -11.27810 -11.27199 -9.06028 -6.74293 -6.74117 -6.73898 -1.52575 -1.50822 -1.42170 -1.40920 -1.31127 -1.26750 -1.23714 -1.21690 -1.21143 -1.19479 -1.17966 -1.16798 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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| 7.8577 14.5359 18.5019 29.0878 34.0366 40.2454 64.8916 67.8442 71.0042 75.7327 105.2997 114.7118 125.2094 145.5394 155.9397 168.3136 182.2784 214.8481 231.5432 244.7508 258.5359 266.4975 279.9225 290.2045 294.8511 319.4865 336.0980 347.4938 356.2093 378.0436 390.1714 392.0433 434.5151 444.2101 450.6818 463.8071 465.7716 483.5629 499.7491 512.9723 519.5480 555.9899 574.4546 602.4508 621.8347 638.6927 643.1486 670.5924 678.6074 687.2717 705.6043 731.1736 743.5303 763.2966 774.6793 779.1700 787.5694 788.4410 815.9655 820.6422 841.2633 847.7076 854.8089 872.8709 906.4624 919.1800 920.1916 930.7954 963.1065 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1322.50 1323.95 1339.21 1385.70 1392.11 1401.72 1408.89 1415.29 1454.14 1472.38 1511.65 1531.34 1533.64 1558.65 1565.59 1568.29 1575.35 1593.14 1595.16 1606.82 1607.92 1614.87 1619.58 1623.32 1639.44 1658.80 1660.98 1689.00 1711.20 1713.71 1753.02 1765.36 1766.52 1778.29 1779.22 1791.14 1833.58 1852.98 1874.00 1877.06 1887.88 1927.34 1932.90 1937.59 1939.87 1960.82 1961.75 1973.39 1976.22 2006.91 2020.41 2028.27 2053.42 2055.39 2079.45 2095.02 2100.94 2110.83 2118.10 2122.63 2129.12 2151.39 2165.39 2197.75 2211.76 2235.03 2241.96 2247.12 2252.21 2257.97 2272.67 2305.14 2319.86 2333.39 2339.88 2344.92 2348.93 2351.70 2353.57 2360.64 2369.13 2378.19 2386.12 2393.43 2396.85 2406.66 2410.16 2446.01 2528.96 2557.19 2574.13 2582.24 2603.13 2636.28 4582.71 4592.70 4615.79 4620.48 4626.08 4628.88 4633.33 4642.64 4655.96 4661.92 4677.75 4690.45 4721.43 4723.87 4735.72 4745.38 4750.07 4752.88 4759.53 4781.92 4804.62 4838.84 4848.00 4851.57 4854.17 4872.32 4876.42 4877.27 4885.88 4893.27 4906.32 5494.21 5625.19 0.606541 0.634718 0.635662 0.542622 -1731.056044 -1731.027867 -1731.026923 -1731.119963 3.120577D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CC1(C[C@H]2[C@@H](CO1)C(=S)[NH+]=C(N2CCCCCc3[nH]c4ccccc4n3)c5ccccc5)C C38689057 RHF 6-31G(d) (6D,10F) C1 461.237509 |X|Y|Z| 140.865442 63.287054 45.550780 74.052272 30 6 7 8 25 4 1 |36.858105| |12.485815|36.858105| |7.623052|12.358195|36.858105| |4.893424|7.283729|12.385620|36.858105| |4.163102|5.446705|8.921332|17.583705|0.500000| |4.539740|6.505979|7.650355|12.417679|0.246730|36.858105| |4.499794|5.830988|6.935605|8.969458|0.223759|17.632476|0.500000| |5.228422|7.941285|6.685402|7.488487|0.152934|12.341688|0.248411|36.858105| |8.167332|13.447373|7.928857|6.592398|0.139524|7.922017|0.200846|13.743852|73.516695| |3.364740|4.413999|4.956753|7.559386|0.186814|12.699555|0.251280|7.644231|9.127372|36.858105| |2.787205|3.388193|3.642388|4.759836|0.128334|6.869717|0.184765|5.393528|7.127661|11.843101|388.023441| 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|2.013007|2.375255|2.498750|2.903397|0.077173|2.721509|0.066172|2.596688|4.100970|3.019917|18.599109|5.268228|0.115833|4.479599|5.061602|3.767855|3.361548|3.113988|2.691878|2.417910|2.124279|2.599573|0.052165|1.749821|1.569747|1.477426|1.519446|1.678220|1.822811|2.804404|6.900231|7.936324|13.726169|36.858105| |2.039939|2.418325|2.626252|3.156894|0.086214|2.936795|0.071555|2.684279|4.191271|3.355182|20.616366|6.016618|0.134830|5.069237|5.522581|4.006131|3.738676|3.335231|2.936217|2.560408|2.267747|2.731065|0.054034|1.852149|1.649542|1.562376|1.626560|1.816104|1.963736|3.049637|7.951089|6.850495|7.918360|13.752511|36.858105| |2.328291|2.836661|3.170754|4.041193|0.110537|3.691944|0.087640|3.232267|4.921465|4.347153|25.223465|8.527383|0.188198|7.664046|7.495916|5.076537|4.625134|3.786924|3.248650|2.713504|2.377971|2.814793|0.055266|1.906327|1.683750|1.596937|1.675368|1.889863|2.046102|3.225463|13.712757|7.883383|6.853753|7.938764|13.749698|36.858105| |7.639911|12.432544|7.383569|5.729657|0.122707|5.049702|0.119707|6.302114|13.970452|3.901650|21.487595|5.306131|0.092461|4.496680|7.679525|5.350825|3.945119|3.421549|2.743982|2.409199|2.056930|2.512757|0.050919|1.669610|1.495053|1.397841|1.429470|1.577510|1.726427|2.674766|3.738419|3.855337|3.090017|2.615468|2.577969|2.971867|36.858105| |17.561096|8.794952|6.915689|4.464100|0.109256|3.895690|0.106450|4.222821|10.278220|3.003921|17.781366|3.856148|0.068803|3.089057|5.186051|3.838928|3.403091|3.110231|2.669271|2.387598|2.086485|2.569682|0.051957|1.720719|1.547099|1.450159|1.482553|1.630835|1.777630|2.727847|2.624607|2.575774|2.204883|1.981307|2.003176|2.267412|6.868074|0.500000| |17.591914|8.857178|5.526888|4.035779|0.096144|3.954365|0.108034|4.830175|13.067849|3.061686|18.503981|3.843029|0.069233|2.965937|4.734938|3.289660|2.838046|2.563510|2.222526|2.005418|1.779088|2.213887|0.044828|1.498667|1.362524|1.287147|1.316324|1.436100|1.546839|2.344253|2.524909|2.522306|2.160232|1.922082|1.923355|2.164527|7.079440|0.300757|0.500000| |17.588832|8.830502|6.980372|4.695135|0.115821|4.530837|0.133523|4.964851|13.269300|3.343383|20.204697|4.036855|0.071702|3.065228|4.999368|3.398521|3.070760|2.701080|2.389807|2.112806|1.892304|2.329135|0.046611|1.588544|1.437259|1.365966|1.411053|1.551038|1.662216|2.531110|2.532547|2.428379|2.074103|1.885293|1.932722|2.208833|5.533608|0.300190|0.301805|0.500000| |6.748456|8.759551|17.616548|8.721703|0.208799|5.520537|0.141178|4.961564|10.127370|4.074344|22.096549|5.406697|0.091649|4.684011|9.316446|7.174392|6.243853|4.902643|3.894484|3.165853|2.660797|3.123371|0.061874|2.065327|1.804944|1.685206|1.749543|1.979045|2.190149|3.507322|3.688515|3.380383|2.766257|2.502815|2.619419|3.119946|6.826901|0.199975|0.139095|0.165870|0.500000| |7.401262|8.941040|17.561648|9.123376|0.231109|6.980402|0.208262|5.858813|12.620152|4.610863|25.543513|5.464725|0.092240|4.244257|7.596969|4.854881|4.503187|3.579802|3.113380|2.585168|2.282792|2.718133|0.053465|1.847196|1.638439|1.557264|1.632715|1.835015|1.978846|3.099643|3.250963|2.928144|2.427235|2.232416|2.365244|2.820707|5.486892|0.183720|0.147368|0.224816|0.306408|0.500000| |4.646067|6.993079|5.804217|6.651186|0.136555|8.730121|0.173974|17.525817|16.482031|6.987480|34.850752|8.770281|0.145712|6.223315|8.704803|4.607561|3.528443|2.874652|2.410568|2.080534|1.830977|2.230452|0.044587|1.514715|1.364706|1.297114|1.344436|1.484918|1.593105|2.450838|4.618995|4.483635|3.426281|2.915652|2.951632|3.550787|6.914953|0.108836|0.123170|0.116789|0.128984|0.134057|0.500000| |4.425187|5.800725|4.999544|5.494568|0.124277|8.841413|0.218817|17.648422|17.041691|6.974212|41.407168|7.106530|0.124270|4.504565|6.235302|3.488110|2.934481|2.430812|2.126196|1.849292|1.665328|2.041425|0.040627|1.405777|1.276330|1.225091|1.276354|1.403736|1.485921|2.260057|3.483336|3.276018|2.678127|2.391764|2.468857|2.915109|4.836267|0.100280|0.118895|0.121796|0.109257|0.131526|0.302273|0.500000| |3.267335|4.156761|4.790497|5.540584|0.138781|4.169884|0.096811|3.825192|6.333267|3.968428|21.349473|6.706519|0.119438|7.544472|12.418919|17.723961|8.861351|6.911358|4.565150|3.667516|2.911632|3.379042|0.067514|2.181316|1.886924|1.738525|1.790702|2.031843|2.290782|3.730936|7.880282|7.296002|5.384357|4.590869|4.718927|5.836352|4.767781|0.092016|0.081824|0.081546|0.145013|0.107081|0.118335|0.088564|0.500000| |4.460907|5.898634|7.236538|6.912545|0.162642|4.673055|0.110064|4.372277|7.882695|3.937527|21.028562|5.951655|0.102255|5.970558|12.445392|17.703380|8.787869|6.822896|4.515927|3.635371|2.885833|3.360888|0.067338|2.167153|1.877163|1.727916|1.776470|2.011879|2.268979|3.686307|5.066579|4.801163|3.757990|3.267789|3.345671|4.012314|6.779197|0.130011|0.106227|0.106938|0.253912|0.146433|0.129352|0.097401|0.305809|0.500000| |3.553047|4.221386|6.103138|6.689346|0.221969|4.397207|0.112796|3.569825|6.276275|3.866111|21.433732|5.592682|0.097267|5.078324|9.383757|8.808665|17.552672|8.866729|6.921792|4.562157|3.692059|4.019958|0.076855|2.629388|2.210176|2.054582|2.177457|2.565133|2.907217|4.989649|4.241318|3.570609|2.996808|2.870610|3.182736|3.895344|3.924982|0.103059|0.083391|0.094655|0.207455|0.150801|0.096972|0.083901|0.173549|0.209752|0.500000| |2.862468|3.440083|4.432068|5.471632|0.171659|4.003975|0.099293|3.276730|5.434892|3.933888|21.941852|6.283319|0.112965|6.040136|9.508374|8.881254|17.531207|8.840014|6.922733|4.555907|3.698523|4.011047|0.076433|2.631094|2.209665|2.058313|2.188112|2.584893|2.924127|5.036146|5.603566|4.352134|3.677079|3.670912|4.323588|5.557639|3.403425|0.080909|0.070104|0.075851|0.134658|0.109043|0.092804|0.078575|0.212508|0.173510|0.303383|0.500000| |2.649442|3.033724|3.549420|3.730890|0.104926|2.924163|0.073490|2.658379|4.632551|2.790788|16.300076|4.342746|0.081411|4.049532|6.284619|6.951943|8.843590|17.507440|8.833723|6.854036|4.571810|4.979365|0.099062|3.011710|2.487144|2.214730|2.259154|2.622158|3.133756|5.424804|4.259584|3.990297|3.646385|3.538797|3.717009|4.074424|3.259330|0.078122|0.066458|0.068092|0.114549|0.086572|0.077404|0.064528|0.209686|0.171133|0.173796|0.211250|0.500000| |3.166795|3.528043|4.252055|4.057847|0.113936|3.068685|0.078539|2.808043|5.120789|2.767762|16.098161|4.095429|0.074934|3.718107|6.247650|6.904709|8.842936|17.503395|8.826866|6.862262|4.558806|4.994383|0.099898|3.009395|2.488026|2.210708|2.248602|2.603325|3.114581|5.370223|3.560047|3.359724|2.977551|2.804538|2.915537|3.265887|3.703974|0.097403|0.077401|0.080714|0.150176|0.103578|0.079758|0.067392|0.171594|0.204905|0.212289|0.173495|0.303342|0.500000| |2.607519|2.822017|3.514275|3.547055|0.110369|2.784572|0.074501|2.426777|4.346836|2.588970|15.645721|3.724740|0.069248|3.168341|5.015032|4.552656|6.911663|8.836369|17.565027|8.892934|6.954470|6.443887|0.115645|4.016990|3.120408|2.808211|2.992670|3.728875|4.631976|9.299741|2.990160|2.673306|2.429994|2.420852|2.645944|2.966805|2.733648|0.077906|0.063771|0.070435|0.114915|0.093679|0.066613|0.059950|0.112528|0.119732|0.209114|0.172657|0.173347|0.210572|0.500000| |2.296477|2.550012|3.085977|3.320607|0.102023|2.673700|0.070113|2.327655|4.036386|2.605270|15.815380|3.903182|0.074166|3.361995|5.030131|4.564298|6.901192|8.841319|17.575312|8.896531|7.006067|6.418349|0.114513|4.023855|3.119683|2.816410|3.016316|3.781515|4.693100|9.578955|3.365346|2.957632|2.752635|2.843817|3.195373|3.526107|2.540622|0.066985|0.057253|0.061602|0.096452|0.080547|0.065208|0.057891|0.121428|0.111793|0.171868|0.208803|0.211241|0.173335|0.305245|0.500000| |2.093517|2.257103|2.568061|2.604063|0.075268|2.166743|0.056706|1.993348|3.535836|2.085763|12.848064|3.108097|0.059868|2.664980|3.959776|3.666559|4.535117|6.867281|8.819086|17.504389|8.991675|9.256944|0.185201|4.744850|3.622100|3.010300|2.968405|3.482589|4.602740|8.241999|2.768122|2.640192|2.560390|2.594159|2.712283|2.803610|2.348708|0.062348|0.053324|0.055155|0.081134|0.066405|0.056753|0.049937|0.104002|0.097745|0.112284|0.120483|0.206344|0.171275|0.173701|0.210942|0.500000| |2.316850|2.434083|2.794530|2.704825|0.078368|2.221697|0.058904|2.051196|3.732654|2.075034|12.747130|3.011185|0.057110|2.559969|3.942952|3.646954|4.524952|6.821000|8.817198|17.508683|8.982735|9.408703|0.191074|4.765433|3.641394|3.014034|2.959979|3.460495|4.577141|8.129848|2.541497|2.424731|2.287859|2.255476|2.346786|2.491974|2.491343|0.070719|0.058360|0.061149|0.091029|0.073131|0.057556|0.051170|0.097824|0.102480|0.120806|0.111958|0.169301|0.204992|0.212072|0.173747|0.303832|0.500000| |1.411528|1.443428|1.583382|1.573571|0.045827|1.401788|0.038184|1.310543|2.353411|1.360658|8.885543|1.933850|0.038035|1.540606|2.217330|1.820911|2.072829|2.400214|2.860389|3.528583|4.586331|8.941684|0.180859|8.819533|17.719395|8.882420|5.593915|4.869934|5.575457|5.848144|1.556762|1.496903|1.476985|1.513077|1.574062|1.597165|1.448830|0.041624|0.036767|0.038456|0.047763|0.043232|0.036465|0.034040|0.050116|0.049937|0.057134|0.057012|0.065566|0.065742|0.078249|0.077995|0.094988|0.095840|0.500000| |1.284785|1.312748|1.442888|1.448252|0.042558|1.308822|0.035998|1.215617|2.171126|1.281302|8.497685|1.804541|0.035681|1.413202|2.013659|1.612351|1.831720|2.031862|2.403773|2.730631|3.455151|5.601435|0.104855|5.707985|8.970804|17.722237|8.892245|5.628816|4.971384|4.986508|1.418072|1.349444|1.329183|1.372216|1.443724|1.469174|1.299324|0.037479|0.033495|0.035411|0.042877|0.039888|0.033587|0.031845|0.044072|0.043838|0.051181|0.051241|0.054966|0.054906|0.067464|0.067578|0.072515|0.072657|0.214730|0.500000| |1.339175|1.377822|1.536711|1.563929|0.046709|1.415347|0.039196|1.293891|2.294372|1.394748|9.307363|1.954587|0.038658|1.517227|2.154349|1.701361|1.965600|2.121672|2.556762|2.742272|3.483620|5.028816|0.089252|5.000186|5.625364|8.898172|17.723590|8.956743|5.680453|5.608602|1.508449|1.409883|1.377511|1.432249|1.534898|1.579727|1.344398|0.038765|0.034679|0.037235|0.045339|0.042863|0.035499|0.033953|0.046033|0.045665|0.055643|0.055954|0.056517|0.056229|0.073432|0.074037|0.071191|0.070951|0.123715|0.216154|0.500000| |1.575757|1.644003|1.882427|1.943719|0.059315|1.725777|0.047742|1.543954|2.721094|1.700968|11.212757|2.393384|0.046975|1.871836|2.677627|2.127348|2.563363|2.751716|3.518213|3.591229|4.744767|5.978605|0.099703|5.623243|4.870801|5.597344|8.877986|17.730764|8.875010|9.158881|1.844204|1.686712|1.626563|1.697272|1.856438|1.947110|1.589445|0.045578|0.040273|0.043864|0.055883|0.052525|0.042206|0.040160|0.056830|0.056182|0.073359|0.074198|0.071562|0.070871|0.103741|0.105794|0.089537|0.088731|0.106127|0.123672|0.213949|0.500000| |2.950419|3.770983|3.713969|4.286992|0.101840|3.993428|0.090488|4.168566|6.417348|4.115094|22.803369|7.270950|0.140776|7.029163|8.211273|5.666225|4.036451|3.491328|2.777479|2.434148|2.074728|2.524416|0.051015|1.678531|1.500521|1.404432|1.439510|1.592081|1.741522|2.705618|8.870153|17.713048|8.923552|5.644047|4.939991|5.616198|4.632373|0.078818|0.078587|0.073417|0.100397|0.086078|0.146413|0.100013|0.195419|0.144104|0.096901|0.109735|0.104461|0.093114|0.071609|0.076371|0.069867|0.065956|0.040318|0.036228|0.037616|0.044653|0.500000| |2.160456|2.553299|2.553398|2.842760|0.072594|2.691727|0.064922|2.733668|4.384013|2.858606|17.418476|4.802524|0.101312|4.118473|4.912646|3.699543|3.077766|2.908374|2.441963|2.241435|1.945771|2.416416|0.049255|1.612530|1.456902|1.362401|1.384732|1.514411|1.651885|2.523335|5.655486|8.942658|17.739286|8.902743|5.638319|4.943763|2.974752|0.058995|0.058404|0.055043|0.070988|0.062373|0.088355|0.069626|0.126729|0.094839|0.074093|0.087139|0.091236|0.076483|0.061703|0.068671|0.066561|0.059972|0.039435|0.035339|0.036231|0.042166|0.215674|0.500000| |1.820960|2.108492|2.198368|2.497156|0.066883|2.361056|0.058365|2.275874|3.646716|2.592354|16.398853|4.347909|0.095380|3.576378|4.195129|3.159978|2.896217|2.770116|2.454107|2.260798|2.012519|2.497013|0.050354|1.688009|1.526727|1.438227|1.471821|1.612336|1.744842|2.651324|4.967533|5.650120|8.919315|17.735374|8.927435|5.649791|2.315260|0.049995|0.048629|0.047535|0.061426|0.055197|0.070216|0.058942|0.104258|0.078173|0.069818|0.086956|0.087481|0.070049|0.061372|0.072019|0.067977|0.058670|0.041065|0.037267|0.038612|0.045111|0.124226|0.214945|0.500000| |1.857444|2.163551|2.358437|2.797898|0.078064|2.622647|0.065284|2.383529|3.762504|2.991578|19.029538|5.134350|0.115314|4.126832|4.679276|3.418213|3.352451|3.061609|2.808334|2.479813|2.244455|2.715746|0.053468|1.861944|1.664868|1.586761|1.658726|1.849400|1.982931|3.052677|5.654316|4.942099|5.636659|8.908874|17.740431|8.933945|2.270429|0.050831|0.048694|0.049336|0.065542|0.060026|0.071407|0.061670|0.107816|0.080705|0.080887|0.108827|0.093940|0.074182|0.070483|0.086563|0.073109|0.062530|0.044008|0.040767|0.043626|0.052701|0.107334|0.124013|0.214988|0.500000| |2.288223|2.763694|3.175039|4.134236|0.118836|3.779865|0.091538|3.166184|4.825388|4.557559|26.934309|8.646990|0.189656|7.075738|7.228596|4.767575|4.708336|3.752265|3.347366|2.741369|2.444089|2.866268|0.055626|1.962612|1.728497|1.652465|1.753790|1.994545|2.140879|3.387252|8.870715|5.614280|4.941300|5.646562|8.917837|17.708248|2.794438|0.061837|0.058600|0.061215|0.086349|0.080122|0.093362|0.079943|0.140877|0.104767|0.113530|0.166618|0.108134|0.088746|0.086291|0.103503|0.077338|0.069221|0.045181|0.042107|0.046075|0.057775|0.123518|0.107356|0.124246|0.215645|0.500000| 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