Version2.0 2020-01-21T21:26:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 25-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1)C3=C([C@H](N4C(=[NH+]3)N=C(N4)SC)c5ccc(cc5)OC)[C@H](O2)c6ccc(cc6)OC C09500473 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1)C3=C([C@H](N4C(=[NH+]3)N=C(N4)SC)c5ccc(cc5)OC)[C@H](O2)c6ccc(cc6)OC C01[X(C28H27N4O3S1)] 183 C1 598 COc1ccc(cc1)[C@H]1Oc2ccc(cc2C2=C1[C@@H](c1ccc(cc1)OC)n1c(=[NH+]2)nc([nH]1)SC)C COc1ccc(cc1)[C@H]1Oc2ccc(cc2C2=C1[C@@H](c1ccc(cc1)OC)n1c(=[NH+]2)nc([nH]1)SC)C COc1ccc(cc1)[C@H]2Oc3ccc(C)cc3C4=C2[C@H](N5NC(=NC5=[NH+]4)SC)c6ccc(OC)cc6 InChIKey=SQXBEUKMZYDILN-CLJLJLNGSA-O InChI=1S/C28H26N4O3S/c1-16-5-14-22-21(15-16)24-23(26(35-22)18-8-12-20(34-3)13-9-18)25(17-6-10-19(33-2)11-7-17)32-27(29-24)30-28(31-32)36-4/h5-15,25-26H,1-4H3,(H,29,30,31)/p+1/t25-,26-/m1/s1 InChI=1/C28H26N4O3S/c1-16-5-14-22-21(15-16)24-23(26(35-22)18-8-12-20(34-3)13-9-18)25(17-6-10-19(33-2)11-7-17)32-27(29-24)30-28(31-32)36-4/h5-15,25-26H,1-4H3,(H,29,30,31)/p+1/t25-,26-/m1/s1/fC28H27N4O3S/h29,31H/q+1 Cc1ccc2c(c1)C3=C([C@H](N4C(=[NH+]3)N=C(N4)SC)c5ccc(cc5)OC)[C@H](O2)c6ccc(cc6)OC C01[X(C28H27N4O3S1)] 183 C01 598 COc1ccc(cc1)[C@H]1Oc2ccc(cc2C2=C1[C@@H](c1ccc(cc1)OC)n1c(=[NH+]2)nc([nH]1)SC)C COc1ccc(cc1)[C@H]1Oc2ccc(cc2C2=C1[C@@H](c1ccc(cc1)OC)N1N[C@@H](N[C@@H]1N2)SC)C COc1ccc(cc1)[C@H]2Oc3ccc(C)cc3C4=C2[C@H](N5N[C@@H](N[C@@H]5N4)SC)c6ccc(OC)cc6 InChIKey=UIDCVGCFBPBWAB-ZZXHUEHTSA-N InChI=1S/C28H30N4O3S/c1-16-5-14-22-21(15-16)24-23(26(35-22)18-8-12-20(34-3)13-9-18)25(17-6-10-19(33-2)11-7-17)32-27(29-24)30-28(31-32)36-4/h5-15,25-31H,1-4H3/t25-,26-,27+,28-/m1/s1 InChI=1/C28H30N4O3S/c1-16-5-14-22-21(15-16)24-23(26(35-22)18-8-12-20(34-3)13-9-18)25(17-6-10-19(33-2)11-7-17)32-27(29-24)30-28(31-32)36-4/h5-15,25-31H,1-4H3/t25-,26-,27+,28-/m1/s1 3968.7012006405 -1915.7038029 1-A 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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| 13.9057 15.9359 26.9142 29.0099 33.7949 37.4215 54.3882 57.4550 58.7411 83.3536 85.5977 90.3317 99.9356 106.7559 141.8826 146.2775 156.4308 166.2089 181.4766 186.7816 208.3418 213.3063 246.5156 251.4095 261.9762 275.3014 281.5466 293.8289 302.1865 320.9145 340.0985 370.0719 370.9721 392.5534 399.6081 434.4085 447.5021 463.6755 466.7828 467.4129 473.2434 499.8025 503.0759 517.5606 518.3696 544.6786 570.9032 584.5859 587.0497 603.4160 619.8347 630.6909 656.2606 688.1077 695.9543 707.0486 726.7314 733.4400 755.0149 770.8050 789.6068 803.1426 819.5678 825.9911 834.6102 840.8136 854.7096 870.9737 900.8203 916.8650 928.2166 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0.00470 0.00357 0.00285 0.09787 0.07430 0.05933 20.01 22.93 38.72 41.74 48.62 53.84 78.25 82.66 84.52 119.93 123.16 129.97 143.79 153.60 204.14 210.46 225.07 239.14 261.10 268.74 299.76 306.90 354.68 361.72 376.93 396.10 405.08 422.75 434.78 461.72 489.33 532.45 533.75 564.80 574.95 625.02 643.86 667.13 671.60 672.50 680.89 719.10 723.81 744.65 745.82 783.67 821.40 841.09 844.63 868.18 891.80 907.42 944.21 990.03 1001.32 1017.29 1045.60 1055.26 1086.30 1109.02 1136.07 1155.54 1179.18 1188.42 1200.82 1209.74 1229.74 1253.14 1296.08 1319.16 1335.50 1343.85 1346.64 1354.09 1365.39 1374.48 1377.38 1406.33 1427.10 1548.30 1556.10 1564.37 1579.08 1581.44 1585.22 1587.75 1588.75 1589.59 1592.91 1608.81 1609.95 1659.00 1680.45 1692.13 1693.05 1724.35 1747.25 1754.07 1785.05 1819.85 1831.73 1847.58 1859.12 1860.65 1864.53 1871.00 1875.10 1882.21 1902.41 1905.44 1919.22 1931.58 1937.10 1941.67 1976.97 2003.28 2036.72 2058.86 2069.69 2085.91 2086.60 2089.86 2098.10 2161.86 2173.94 2182.31 2211.98 2239.89 2253.51 2261.71 2286.18 2294.07 2298.87 2309.62 2321.98 2343.97 2346.88 2347.02 2367.18 2375.90 2376.19 2381.33 2384.50 2388.84 2412.42 2445.38 2446.13 2544.51 2548.50 2553.00 2554.88 2590.71 2604.50 2612.39 2622.04 2733.78 4618.79 4625.76 4633.95 4650.10 4689.85 4702.26 4720.97 4723.58 4733.77 4744.68 4811.01 4823.49 4823.82 4831.21 4834.84 4837.71 4838.85 4850.15 4855.47 4857.15 4893.84 4899.71 4900.49 4905.99 4914.72 5522.06 5601.88 0.544646 0.575306 0.576251 0.478517 -1915.159157 -1915.128497 -1915.127552 -1915.225286 3.278014D-04 MUNgauss RevisionA2.0 retrievium 21-Jan-2020 DUDE Cc1ccc2c(c1)C3=C([C@H](N4C(=[NH+]3)N=C(N4)SC)c5ccc(cc5)OC)[C@H](O2)c6ccc(cc6)OC C09500473 RHF 6-31G(d) (6D,10F) C1 499.180388 |X|Y|Z| 99.449521 82.749787 59.379288 78.765286 29 6 7 8 24 4 1 |36.858105| |12.606608|36.858105| |7.541149|13.637924|36.858105| |5.008522|7.860575|13.824567|36.858105| |4.423095|6.813334|7.976635|13.747062|36.858105| |4.990237|7.857775|6.893658|7.925326|13.734474|36.858105| |7.541179|13.795620|8.010812|6.890081|7.936047|13.639870|36.858105| |3.760214|5.014710|4.503179|5.130173|7.860447|12.963203|7.499530|36.858105| |3.060287|3.922842|3.807102|4.575860|6.852348|7.813480|5.114740|14.331867|36.858105| |2.517532|3.037685|2.925717|3.355371|4.434921|4.923607|3.776398|7.565290|12.537330|36.858105| |2.383014|2.834650|2.742629|3.118846|3.995631|4.339833|3.449563|6.078816|8.917479|17.556593|0.500000| |2.540261|2.982776|2.755806|3.013337|3.839292|4.589708|3.779539|7.100196|7.991459|12.918383|0.255087|53.358707| |2.895735|3.381805|2.987118|3.156541|3.989571|5.176261|4.475962|8.072363|6.934844|7.570018|0.170426|19.729041|36.858105| |3.604707|4.418662|3.742466|3.920585|5.156796|7.724319|6.488890|13.494261|7.977647|6.539604|0.149822|11.323333|14.402483|53.358707| |4.046169|4.809445|3.850108|3.824749|4.751976|7.154520|7.211586|9.018712|5.796468|4.878518|0.117311|8.167772|9.538954|26.067799|0.500000| |2.614817|2.911530|2.560767|2.633195|3.159248|3.929151|3.673840|5.235520|4.672984|5.239804|0.128825|11.778946|14.242319|10.879911|0.202369|53.358707| |2.238816|2.482551|2.250348|2.349684|2.794612|3.302191|3.024810|4.322065|4.254680|5.309877|0.134508|12.005036|9.109949|7.661272|0.138291|19.797926|36.858105| |2.195370|2.489492|2.308860|2.476911|3.008377|3.470830|3.031443|4.727496|5.129790|7.558469|0.188842|18.918722|8.897204|7.614020|0.127964|11.809321|14.198772|53.358707| |1.906966|2.055307|1.880478|1.939590|2.230179|2.550551|2.409662|3.106615|3.079312|3.680782|0.097757|6.777672|5.024206|5.142692|0.099104|9.504134|10.997820|9.656030|388.023441| |1.984970|2.086601|1.873441|1.886609|2.130331|2.468733|2.428922|2.895660|2.729867|3.031500|0.079881|5.380372|4.454086|4.923281|0.101359|8.788264|6.970528|6.433507|74.512829|36.858105| |2.190714|2.596312|2.569785|2.963805|3.744275|3.870840|3.080068|5.171754|7.388596|12.559731|0.248939|10.585982|5.272074|6.289321|0.104401|5.692354|4.499150|8.540253|24.209714|2.763474|36.858105| |1.922524|2.234521|2.235812|2.555985|3.097705|3.119473|2.574120|3.885646|5.162207|7.557273|0.206447|7.462404|4.008515|4.832911|0.083509|4.652286|3.800972|7.015565|22.052184|2.488598|13.670837|36.858105| |1.730947|1.985202|2.005257|2.276757|2.674690|2.646152|2.236265|3.145761|3.922080|5.018433|0.134317|5.590692|3.234196|3.974033|0.070886|3.914166|3.191162|5.506611|19.610409|2.247971|7.897516|13.826189|36.858105| |1.724747|1.974767|2.001119|2.268483|2.642710|2.602016|2.210902|3.045870|3.679012|4.417540|0.111179|5.176165|3.108609|3.870452|0.069977|3.794606|3.041895|5.041498|18.871373|2.210381|6.813961|7.930622|13.667511|36.858105| |1.909871|2.210672|2.229553|2.539074|3.010835|2.991598|2.506402|3.558009|4.276191|4.994994|0.116513|5.943561|3.596860|4.505432|0.080926|4.297020|3.364714|5.525003|20.164175|2.395423|7.883914|6.876521|7.916064|13.675280|36.858105| |2.176716|2.571491|2.559910|2.944944|3.657751|3.734989|3.012793|4.760189|6.073619|7.509009|0.155488|8.387685|4.774069|5.897951|0.101472|5.339964|4.107886|7.066726|22.859790|2.693394|13.724525|7.974095|6.893608|7.934053|13.767727|36.858105| |1.552922|1.753820|1.785473|2.002391|2.271574|2.221126|1.929310|2.520769|2.937274|3.376122|0.087518|4.111326|2.569073|3.240052|0.059834|3.220036|2.568971|4.092294|16.581867|1.976950|4.616278|5.316293|8.237788|14.283905|7.889216|5.217266|73.516695| |1.508696|1.692540|1.726913|1.922662|2.148414|2.095698|1.843390|2.332032|2.638014|2.913526|0.074557|3.654247|2.360336|3.019309|0.056637|2.991593|2.347785|3.616756|15.348804|1.876313|3.776846|3.984825|5.253814|7.999748|6.700273|4.509034|24.068317|36.858105| |2.931783|3.797132|4.014642|5.282638|7.975939|6.724164|4.527748|7.750656|12.571528|7.388635|0.183529|6.831176|4.469802|6.868517|0.115839|4.637132|3.208201|5.136576|17.774765|2.245053|6.088283|4.849792|3.861793|3.613949|4.048471|5.244754|5.229307|2.641008|36.858105| |2.572818|3.224636|3.435794|4.413597|5.979912|5.113291|3.721030|5.896568|9.001696|7.031945|0.171074|6.407884|4.029876|5.839717|0.100294|4.312219|3.077854|5.009739|17.364568|2.163636|7.089509|5.701570|4.606386|4.347530|4.882174|6.262937|6.134100|3.051206|17.653712|0.500000| |3.370140|4.599539|5.280643|8.106201|14.150380|8.004598|5.231469|6.971575|7.892570|5.054134|0.125350|5.444909|3.862389|6.282748|0.112820|4.144870|2.796005|4.255306|15.882989|2.074471|4.468347|3.677086|3.150155|3.097745|3.529130|4.325409|4.652629|2.439694|13.437552|0.268986|73.516695| |2.717991|3.404668|3.613055|4.551931|5.932328|5.175100|3.893456|5.575238|7.495500|5.858463|0.175505|5.728409|3.762596|5.587542|0.097369|4.088806|2.883788|4.589353|16.443717|2.074066|4.841554|4.395642|3.523116|3.146739|3.297555|3.987711|4.694406|2.344291|12.546549|0.250444|13.856466|36.858105| |2.317663|2.803769|3.031528|3.744002|4.432123|3.823166|3.069035|4.019313|5.115136|4.587920|0.139050|4.667114|3.037954|4.348278|0.077929|3.445065|2.493961|3.958463|14.727227|1.850094|4.289173|4.270814|3.591944|3.157681|3.164511|3.607233|4.814364|2.381002|7.582592|0.206734|10.254585|13.646154|36.858105| |2.128218|2.502995|2.686071|3.179489|3.559223|3.174706|2.681939|3.276266|3.905631|3.665353|0.114304|3.965430|2.627679|3.720766|0.068070|3.069067|2.236303|3.489084|13.528698|1.709646|3.422912|3.538671|3.069918|2.686184|2.633497|2.917509|4.220161|2.098824|5.024639|0.134736|7.499058|7.882623|13.854903|36.858105| |2.207903|2.567711|2.704303|3.100536|3.426919|3.167713|2.748773|3.236013|3.695167|3.454236|0.109902|3.881657|2.629845|3.747338|0.069164|3.097341|2.237372|3.436103|13.570046|1.730747|3.074996|3.118874|2.682195|2.362203|2.341580|2.620291|3.727492|1.871715|4.410345|0.111551|6.744698|6.798700|7.938130|13.657494|36.858105| |2.544147|3.003003|3.090985|3.512043|3.990376|3.813951|3.291201|3.894032|4.345342|3.904790|0.125431|4.425793|3.055236|4.450755|0.081591|3.536403|2.503612|3.821184|14.865517|1.908382|3.256343|3.163856|2.650805|2.354860|2.390553|2.751451|3.667114|1.851622|4.972068|0.116971|7.511143|7.867705|6.889854|7.930214|13.726424|36.858105| |2.884701|3.566285|3.652927|4.326482|5.372427|5.136876|4.097901|5.378341|6.273873|5.104721|0.161219|5.484715|3.765580|5.670369|0.100473|4.152343|2.884677|4.471232|16.511136|2.110410|3.989698|3.668148|2.975079|2.661525|2.775132|3.317911|4.047949|2.041799|7.459148|0.156408|10.330119|13.753739|7.999122|6.903469|7.936212|13.721303|36.858105| |1.973934|2.234323|2.342543|2.610795|2.792967|2.617360|2.348342|2.652685|2.943231|2.823394|0.088727|3.292979|2.254833|3.177259|0.059652|2.724189|1.981911|2.998671|12.312901|1.580672|2.576746|2.659289|2.354389|2.086027|2.044267|2.238138|3.358885|1.697448|3.369186|0.087699|5.359537|4.603366|5.313297|8.221683|14.225784|7.883981|5.208349|73.516695| |1.958977|2.173933|2.242249|2.425396|2.556990|2.456939|2.269036|2.469092|2.651296|2.546203|0.079581|3.072153|2.145829|3.028240|0.057623|2.631430|1.903794|2.828638|11.948304|1.552149|2.291383|2.335395|2.074752|1.857263|1.833692|2.009289|3.006728|1.533264|2.909161|0.074762|4.725840|3.773745|3.988903|5.256198|8.008240|6.708791|4.507901|24.129944|36.858105| |17.556847|8.841116|6.712696|4.599955|3.972315|4.281970|5.875202|3.325616|2.797108|2.332552|0.062398|3.168511|2.605312|4.301004|0.095955|3.224589|2.061453|2.768322|12.626975|1.838288|2.037418|1.815265|1.638281|1.620722|1.772287|2.002811|2.607933|1.420971|2.738904|0.066914|5.534997|2.624533|2.265578|2.117783|2.226630|2.564117|2.835616|3.576268|2.020604|0.500000| |17.578322|8.830313|5.559575|4.159817|3.954080|4.724834|7.223679|3.766342|3.018644|2.531789|0.066603|3.573900|3.067490|5.199955|0.123853|3.842826|2.377299|3.112349|14.419680|2.150595|2.183528|1.912789|1.716731|1.706943|1.890329|2.161917|2.728902|1.489051|2.793976|0.068325|5.510260|2.592878|2.205713|2.032791|2.121334|2.457392|2.779018|3.384401|1.902559|0.302088|0.500000| |17.555374|8.843364|6.698423|4.585539|3.962997|4.284203|5.881836|3.331143|2.772809|2.313625|0.060444|3.178860|2.637051|4.368886|0.099561|3.281075|2.084111|2.776638|12.783643|1.879464|2.058469|1.812426|1.651792|1.663280|1.846889|2.079321|2.681759|1.479547|2.683228|0.066778|5.532121|2.461177|2.138343|1.962413|2.008915|2.267806|2.550627|3.216796|1.786376|0.302301|0.302031|0.500000| |7.013470|8.902217|17.709587|8.987875|5.672491|4.962159|5.678897|3.590631|3.150008|2.519446|0.066339|3.246085|2.559892|4.218535|0.088915|3.057855|1.999616|2.780207|12.115030|1.706113|2.261028|2.003682|1.822711|1.824229|2.011722|2.262925|2.931061|1.605048|3.355300|0.082279|7.581809|3.113900|2.714565|2.461081|2.481321|2.773840|3.151606|3.901913|2.116900|0.190995|0.140489|0.190432|0.500000| |4.079572|5.600219|8.883949|17.746743|8.969745|5.655831|4.963274|4.189463|4.000317|3.057253|0.079872|3.682247|2.763136|4.481987|0.088446|3.186461|2.132455|3.083345|12.711230|1.727317|2.795696|2.464701|2.231499|2.230349|2.466837|2.793261|3.537663|1.917658|4.888638|0.119314|13.218006|4.369196|3.814080|3.257523|3.101646|3.376733|4.013728|4.682425|2.414709|0.108152|0.095647|0.107767|0.215051|0.500000| |7.051733|9.017659|5.688023|4.960079|5.636782|8.855310|17.701270|6.820162|4.655400|3.662243|0.093479|5.291432|4.878548|9.794338|0.256418|5.622995|3.275248|4.313000|18.497364|2.690812|2.960898|2.484459|2.157499|2.127615|2.403392|2.882859|3.308848|1.778139|3.911011|0.091553|7.485669|3.446681|2.762575|2.456402|2.546116|3.048732|3.700067|3.921753|2.161071|0.153243|0.224284|0.153040|0.124871|0.107686|0.500000| |2.000943|2.260744|2.134971|2.308900|2.772214|3.087425|2.691099|4.050895|4.578059|6.861069|0.175603|12.664064|6.263550|6.096274|0.105284|8.316455|9.073054|25.940542|45.580538|4.182204|6.819756|6.005731|4.757518|4.271303|4.536949|5.591653|6.076439|2.950882|3.570884|0.100449|5.245469|3.214074|2.863611|2.529241|2.449186|2.655316|3.055904|3.827033|2.012479|0.051792|0.057351|0.052114|0.052942|0.059554|0.076810|0.500000| |1.796644|1.870895|1.695177|1.704414|1.901197|2.165482|2.138619|2.489403|2.377056|2.629597|0.070136|4.472628|3.569571|4.085388|0.084118|6.452074|5.205933|5.308914|57.794991|17.627100|2.452618|2.258274|2.076296|2.045954|2.186432|2.402174|3.303936|1.773211|2.002372|0.054014|3.307176|1.869111|1.690317|1.575688|1.594504|1.740669|1.899422|2.613671|1.448077|0.046565|0.053828|0.047562|0.043273|0.043709|0.065143|0.100217|0.500000| |2.075022|2.181249|1.950602|1.958323|2.210315|2.573749|2.544210|3.004408|2.788627|3.035965|0.078065|5.387185|4.591837|5.167683|0.108594|9.004447|6.504392|6.151087|56.039773|17.665613|2.794005|2.469312|2.245735|2.250593|2.487684|2.801639|3.576481|1.932876|2.286053|0.061329|3.804949|2.073814|1.844257|1.689742|1.698488|1.870903|2.088271|2.746462|1.509734|0.052813|0.062559|0.054991|0.049264|0.049650|0.078495|0.111412|0.299258|0.500000| |2.102626|2.193236|1.945104|1.940661|2.186731|2.565439|2.564974|2.988381|2.766291|3.015257|0.080579|5.324521|4.569578|5.161756|0.108194|9.064647|6.487734|6.118089|56.087202|17.668118|2.667738|2.401247|2.144415|2.086511|2.253151|2.557528|3.312076|1.761792|2.269725|0.059893|3.736642|2.120227|1.875995|1.743239|1.786109|1.991631|2.196662|2.901745|1.616673|0.054231|0.064006|0.054777|0.049129|0.049060|0.080317|0.107498|0.299266|0.298140|0.500000| |1.886272|2.180294|2.175762|2.470903|2.969743|3.002016|2.503871|3.701737|4.853754|7.011908|0.229642|7.022231|3.827915|4.627430|0.080259|4.490937|3.682497|6.763857|21.625382|2.434468|8.880677|17.695411|8.985937|5.650544|4.952274|5.653552|7.642050|3.333163|4.624010|0.142917|6.173308|4.587309|4.537440|3.890933|3.467640|3.488946|3.946011|5.251669|2.579122|0.049925|0.052237|0.049051|0.054324|0.066187|0.067451|0.156838|0.061605|0.065994|0.066110|0.500000| |1.594766|1.809971|1.833079|2.064716|2.379711|2.343517|2.013912|2.723495|3.308914|4.086985|0.114652|4.702931|2.801212|3.469377|0.062767|3.463149|2.826998|4.748615|17.955602|2.071051|5.618411|8.896694|17.747566|8.953004|5.650533|4.965253|13.523155|4.871124|3.323998|0.107348|4.919094|3.177118|3.345697|2.970158|2.597235|2.514416|2.738195|4.135054|2.048095|0.042247|0.043929|0.042325|0.046711|0.056645|0.054130|0.112841|0.053786|0.056981|0.055054|0.215439|0.500000| |1.871087|2.148822|2.172386|2.451775|2.848256|2.819625|2.405680|3.250233|3.721515|4.087423|0.096481|5.112784|3.261888|4.168570|0.076684|3.980667|3.060477|4.790393|18.778722|2.292956|5.639465|4.958255|5.625400|8.853102|17.771153|8.967398|12.497783|7.416123|3.556770|0.116065|5.814326|2.906223|2.792228|2.356634|2.112664|2.157609|2.483708|3.312428|1.684751|0.048054|0.051364|0.050813|0.054846|0.066461|0.064096|0.106602|0.058525|0.067060|0.059637|0.107587|0.124034|0.500000| |2.391385|2.853335|2.810925|3.220811|4.055429|4.244492|3.394416|5.459331|6.470536|6.936911|0.140025|8.570664|5.307615|6.803635|0.117319|5.800713|4.225962|6.843372|23.038781|2.810784|8.901137|5.652320|4.961523|5.654989|8.980256|17.700145|7.479451|3.913012|5.284568|0.164834|8.258394|3.849915|3.371431|2.738552|2.501612|2.674931|3.264855|3.801383|1.941082|0.060201|0.066056|0.063702|0.068293|0.083342|0.090020|0.140662|0.068879|0.083069|0.074266|0.123965|0.107715|0.218384|0.500000| |1.392732|1.549407|1.583253|1.750877|1.931583|1.880863|1.672866|2.068379|2.316100|2.539016|0.066221|3.208324|2.094892|2.689713|0.050845|2.683719|2.106218|3.207088|14.020355|1.726015|3.179003|3.420184|4.428232|5.894210|4.896295|3.618742|16.988242|17.671638|2.336247|0.073953|3.864849|2.120461|2.178707|1.955106|1.749691|1.717342|1.867240|2.853864|1.454274|0.036632|0.038181|0.038006|0.041177|0.048749|0.044925|0.072335|0.045716|0.049136|0.045124|0.082403|0.121797|0.145278|0.089070|0.500000| |1.569897|1.771409|1.826197|2.050519|2.282213|2.191561|1.917915|2.405980|2.719141|2.910952|0.073804|3.599295|2.350433|3.065035|0.057612|2.941349|2.264614|3.469481|14.590832|1.811220|3.733078|3.802175|4.774073|7.040127|6.701774|4.575329|16.422926|17.580324|2.781104|0.090400|4.654091|2.432744|2.477019|2.159885|1.910517|1.887711|2.093934|3.065764|1.551397|0.041001|0.042755|0.042930|0.047192|0.057260|0.050901|0.077063|0.047332|0.052127|0.047562|0.088472|0.120363|0.221830|0.113133|0.299957|0.500000| |1.518446|1.695381|1.712240|1.888033|2.112938|2.093953|1.855253|2.345116|2.611565|2.900713|0.073357|3.755849|2.444779|3.094679|0.058329|3.141428|2.479163|3.772261|16.376357|2.001251|3.715283|3.778840|4.741010|7.002297|6.692071|4.560090|16.418766|17.576419|2.543036|0.080164|4.196823|2.237993|2.228281|1.968303|1.780260|1.783077|1.973995|2.871122|1.472210|0.039545|0.041868|0.041447|0.044137|0.051823|0.050112|0.085821|0.052612|0.057697|0.051646|0.087892|0.119476|0.223036|0.112817|0.300025|0.298345|0.500000| |2.180966|2.623801|2.862661|3.555374|4.156271|3.535676|2.847775|3.724636|4.757412|4.376192|0.126731|4.458327|2.877863|4.074643|0.073378|3.289486|2.402276|3.822450|14.309222|1.792485|4.447555|4.518769|3.953535|3.516044|3.483173|3.858931|5.367444|2.641447|7.070907|0.229039|10.013577|8.888586|17.701396|8.999797|5.654404|4.959595|5.668108|7.639731|3.336050|0.058806|0.057558|0.056712|0.071842|0.102917|0.071254|0.078214|0.045661|0.049930|0.049986|0.127927|0.101978|0.085148|0.098414|0.066885|0.077354|0.067518|0.500000| |1.919528|2.221428|2.391061|2.792860|3.046170|2.725179|2.347372|2.799964|3.282892|3.160949|0.096998|3.498916|2.322710|3.253060|0.060163|2.760974|2.030091|3.147723|12.506847|1.582037|3.073556|3.266341|2.945550|2.585932|2.486415|2.675245|4.149959|2.066353|4.095239|0.114898|6.358011|5.611087|8.902571|17.743162|8.949751|5.658138|4.969973|13.512573|4.873498|0.053193|0.050951|0.049695|0.061851|0.080743|0.060145|0.064207|0.040809|0.043433|0.044593|0.099220|0.081080|0.062249|0.069312|0.054057|0.059058|0.053367|0.215619|0.500000| |2.560115|2.948060|2.966190|3.234578|3.576489|3.545766|3.202845|3.575447|3.792322|3.460422|0.110121|4.121936|2.920110|4.253910|0.079511|3.450905|2.427738|3.624828|14.585520|1.896308|2.877774|2.789625|2.366236|2.120512|2.156797|2.466824|3.333884|1.696811|4.069683|0.096835|6.407640|5.634104|4.964793|5.630071|8.868254|17.765536|8.950845|12.489000|7.422418|0.072709|0.069357|0.062859|0.074689|0.085374|0.084153|0.069365|0.048167|0.051344|0.055553|0.085158|0.062719|0.054569|0.067267|0.043927|0.047838|0.045715|0.107704|0.124119|0.500000| |3.288452|4.129466|4.024859|4.595661|5.863889|6.240029|4.987696|6.527477|6.818002|5.261901|0.160624|5.997846|4.328639|6.833097|0.120564|4.682271|3.147354|4.772571|17.665872|2.290398|3.892371|3.448362|2.797903|2.544611|2.706156|3.286271|3.867576|1.970786|6.857649|0.140476|10.094578|8.906799|5.660444|4.968372|5.665298|8.990379|17.720988|7.480023|3.918545|0.089045|0.089125|0.078874|0.094100|0.112278|0.126098|0.087917|0.056678|0.063030|0.067066|0.101226|0.070960|0.067864|0.092297|0.049947|0.056005|0.053587|0.124108|0.107825|0.218843|0.500000| |1.777496|1.948355|2.013642|2.162540|2.253170|2.162488|2.015337|2.170855|2.322024|2.254630|0.069724|2.748747|1.921440|2.692700|0.051581|2.384241|1.735168|2.564375|11.045263|1.438479|2.069643|2.130093|1.925432|1.731030|1.697080|1.834860|2.834806|1.450801|2.535251|0.066345|4.168228|3.174788|3.420007|4.424062|5.890412|4.898572|3.616649|16.995154|17.662566|0.051001|0.047989|0.045433|0.053391|0.060310|0.053544|0.051065|0.037525|0.038855|0.041484|0.065050|0.053336|0.043537|0.049153|0.038483|0.040715|0.038638|0.082393|0.121668|0.145365|0.089155|0.500000| |1.956971|2.162960|2.188077|2.346658|2.513316|2.475404|2.292585|2.536730|2.718467|2.661736|0.084653|3.246861|2.264212|3.159520|0.059944|2.791298|2.028961|3.014958|12.742780|1.647493|2.361139|2.411109|2.118991|1.881900|1.856495|2.046889|3.032696|1.539771|2.891311|0.073950|4.611742|3.711153|3.780167|4.739402|7.003780|6.700131|4.558975|16.427892|17.567011|0.055807|0.053414|0.049356|0.056938|0.063876|0.061484|0.059334|0.042656|0.044181|0.047901|0.074909|0.058092|0.047179|0.054823|0.040508|0.042996|0.041264|0.087926|0.119453|0.223666|0.113072|0.300047|0.500000| 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