Version2.0 2020-03-05T10:39:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCn1c2ccccc2c3c1-c4nc5cc(c(cc5c(=O)n4CC3)O)S(=O)(=O)Oc6ccccc6 C39541328 RHF 6-31G(d) (6D,7F) CCCn1c2ccccc2c3c1-c4nc5cc(c(cc5c(=O)n4CC3)O)S(=O)(=O)Oc6ccccc6 C01[X(C27H23N3O5S1)] 171 C1 590 CCCn1c2ccccc2c2c1c1nc3cc(c(cc3c(=O)n1CC2)O)S(=O)(=O)Oc1ccccc1 CCCn1c2ccccc2c2c1c1nc3cc(c(cc3c(=O)n1CC2)O)S(=O)(=O)Oc1ccccc1 CCCn1c2ccccc2c3CCN4C(=O)c5cc(O)c(cc5N=C4c13)[S](=O)(=O)Oc6ccccc6 InChIKey=WFIPAWWNDFPMNB-UHFFFAOYSA-N InChI=1S/C27H23N3O5S/c1-2-13-29-22-11-7-6-10-18(22)19-12-14-30-26(25(19)29)28-21-16-24(23(31)15-20(21)27(30)32)36(33,34)35-17-8-4-3-5-9-17/h3-11,15-16,31H,2,12-14H2,1H3 InChI=1/C27H23N3O5S/c1-2-13-29-22-11-7-6-10-18(22)19-12-14-30-26(25(19)29)28-21-16-24(23(31)15-20(21)27(30)32)36(33,34)35-17-8-4-3-5-9-17/h3-11,15-16,31H,2,12-14H2,1H3 CCCn1c2ccccc2c3c1-c4nc5cc(c(cc5c(=O)n4CC3)O)S(=O)(=O)Oc6ccccc6 C01[X(C27H23N3O5S1)] 171 C01 590 CCCn1c2ccccc2c2c1c1nc3cc(c(cc3c(=O)n1CC2)O)S(=O)(=O)Oc1ccccc1 CCCn1c2ccccc2c2c1c1nc3cc(c(cc3c(=O)n1CC2)O)S(=O)(=O)Oc1ccccc1 CCCn1c2ccccc2c3CCN4C(=O)c5cc(O)c(cc5N=C4c13)[S](=O)(=O)Oc6ccccc6 InChIKey=WFIPAWWNDFPMNB-UHFFFAOYSA-N InChI=1S/C27H23N3O5S/c1-2-13-29-22-11-7-6-10-18(22)19-12-14-30-26(25(19)29)28-21-16-24(23(31)15-20(21)27(30)32)36(33,34)35-17-8-4-3-5-9-17/h3-11,15-16,31H,2,12-14H2,1H3 InChI=1/C27H23N3O5S/c1-2-13-29-22-11-7-6-10-18(22)19-12-14-30-26(25(19)29)28-21-16-24(23(31)15-20(21)27(30)32)36(33,34)35-17-8-4-3-5-9-17/h3-11,15-16,31H,2,12-14H2,1H3 4039.9169273301 -1970.9882401 1-A 20080.0345 131 459 590 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.24951 -20.64868 -20.60250 -20.58211 -20.58208 -20.55010 -15.63757 -15.61604 -15.57273 -11.37767 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9.27955
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|XX|YY|ZZ|XY|XZ|YZ| -4.9506 2.0666 2.8840 10.2870 -10.1184 -2.3362
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298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 6 7 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 8 7 6 6 8 16 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 31.97207 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
10390.0473 29019.2784 34290.2298 0.99999 0.00005 -0.00345 0.00000 0.99988 0.01555 0.00345 -0.01555 0.99987 1 0.00834 0.00298 0.00253 0.17370 0.06219 0.05263 18.35 23.10 33.14 53.19 68.87 70.24 93.04 107.89 123.61 147.37 168.88 179.76 194.90 231.56 248.36 294.16 317.00 319.81 356.21 367.20 378.77 385.41 411.30 429.03 456.62 464.38 495.85 505.18 523.27 544.56 563.31 597.07 618.61 646.36 668.94 682.26 720.83 734.12 766.50 771.23 776.18 825.14 841.11 875.90 882.97 896.78 909.88 925.30 958.90 968.77 975.23 989.76 1013.29 1039.42 1056.22 1094.56 1102.37 1135.93 1145.61 1158.97 1179.67 1189.86 1215.09 1222.01 1229.73 1247.41 1266.42 1272.39 1281.59 1352.36 1363.89 1380.64 1393.55 1406.23 1410.61 1475.48 1489.37 1508.52 1512.94 1538.12 1540.48 1575.46 1587.95 1590.32 1593.42 1600.86 1607.84 1619.93 1623.03 1632.24 1673.62 1691.87 1693.92 1727.05 1754.13 1761.19 1782.28 1797.47 1812.67 1839.24 1840.97 1852.20 1867.57 1902.53 1919.75 1924.28 1927.32 1942.37 1958.37 1980.54 2002.40 2005.56 2054.88 2085.95 2092.23 2099.28 2104.55 2108.26 2111.23 2136.14 2149.58 2182.01 2216.94 2242.62 2247.60 2256.57 2293.57 2334.16 2334.97 2342.50 2350.68 2357.54 2365.03 2367.71 2374.20 2381.80 2388.60 2393.08 2397.77 2501.01 2531.19 2550.84 2587.16 2591.28 2609.92 2639.03 2643.51 2810.59 4601.25 4607.85 4625.60 4654.98 4662.70 4674.44 4684.12 4705.28 4717.25 4817.84 4830.56 4844.61 4845.74 4852.09 4864.42 4868.35 4880.30 4883.06 4896.58 4921.53 4930.80 4934.22 5750.80 0.495932 0.523560 0.524504 0.434755 -1970.492309 -1970.464680 -1970.463736 -1970.553485 3.010196D-04
MUNgauss RevisionA2.0 retrievium 05-Mar-2020 DUDE CCCn1c2ccccc2c3c1-c4nc5cc(c(cc5c(=O)n4CC3)O)S(=O)(=O)Oc6ccccc6 C39541328 RHF 6-31G(d) (6D,10F) C1 501.135843 |X|Y|Z| 66.546641 39.653790 118.655573
67.904673 29 6 7 8 16 24 3 1 1
|36.858105| |12.466086|36.858105| |7.533900|12.473943|36.858105| |4.964270|7.642907|13.071952|53.358707| |4.076180|5.732989|7.635141|18.946994|36.858105| |3.970961|5.191040|6.181418|10.339086|13.590572|36.858105| |3.120206|3.828273|4.290708|7.022623|8.024460|13.889823|36.858105| |2.676634|3.268739|3.665270|6.296444|6.885619|7.842834|13.528100|36.858105| |2.702380|3.379336|3.889705|7.244364|7.842287|6.740920|7.898875|13.907184|36.858105| |3.216537|4.245939|5.202961|11.475230|13.587114|7.806732|6.896576|7.979230|13.586034|36.858105| |3.186221|4.193013|5.191016|11.516134|8.421867|5.288756|4.579660|5.038601|7.315917|13.338218|36.858105| |3.945051|5.473395|7.434013|18.745756|8.608908|5.305782|4.200265|4.178966|5.256281|8.515109|14.056432|36.858105| |3.777588|4.880230|5.993008|10.185975|5.238496|3.829237|3.182302|3.172933|3.813517|5.224254|7.704990|13.006646|36.858105| |4.436894|5.567688|6.344932|8.768527|4.479942|3.498511|2.881103|2.782425|3.186275|4.149903|5.290546|7.990773|14.976703|53.358707| |3.693853|4.198367|4.450912|5.980043|3.388940|2.791141|2.386061|2.332677|2.636010|3.250388|4.023160|5.222268|8.349108|18.784770|36.858105| |3.836021|4.022751|3.987189|4.993703|2.917889|2.507780|2.154944|2.074921|2.281180|2.734297|3.194848|3.988270|5.373165|10.834378|13.682846|36.858105| |3.072734|3.133821|3.097341|3.965909|2.421764|2.125170|1.868895|1.817377|1.986040|2.317175|2.672910|3.166340|4.069035|7.093915|7.936041|13.807001|36.858105| |2.573686|2.684438|2.720772|3.625561|2.260123|1.975944|1.765175|1.745500|1.925445|2.223334|2.599242|2.983378|3.853853|6.178323|6.763578|7.820773|13.521114|36.858105| |2.534441|2.740120|2.859979|3.959924|2.461131|2.107605|1.886687|1.891476|2.125569|2.476828|2.992320|3.411326|4.621096|7.009680|7.848603|6.850065|7.972363|13.804470|36.858105| |2.921779|3.287481|3.526580|5.000393|2.995939|2.484305|2.186291|2.191358|2.505788|3.016810|3.803785|4.539088|6.964511|10.682770|13.713162|7.980803|6.955131|7.938210|13.729314|36.858105| |2.673391|3.095947|3.444412|5.244908|3.221838|2.610932|2.329210|2.396961|2.824988|3.418406|4.570542|5.140447|7.866470|9.151139|7.741085|5.103415|4.519602|5.083393|7.690023|12.905694|36.858105| |2.289223|2.600215|2.861120|4.342581|2.791462|2.316838|2.116760|2.209624|2.593927|3.022439|3.906951|4.084665|5.412598|6.433146|5.336489|4.021359|3.827069|4.529040|6.735643|8.084934|15.900678|73.516695| |2.966527|3.607339|4.211464|6.970983|4.157814|3.187723|2.795811|2.898899|3.539677|4.540173|6.813788|7.923669|13.709959|11.023445|7.018845|4.639195|3.849117|3.962623|5.169709|7.911699|13.773269|14.983433|53.358707| |2.571720|3.100684|3.650067|6.299189|4.151959|3.197738|2.913397|3.160393|4.026623|5.000246|7.787285|6.878349|7.643146|7.045471|4.552706|3.416487|2.978980|3.102717|3.879362|5.062282|7.816563|12.511365|17.576890|36.858105| |2.622729|3.260487|3.795118|7.062752|5.096208|3.785204|3.522309|4.019568|5.610879|7.142058|12.741303|7.661696|6.519572|6.221582|3.823311|3.009124|2.607967|2.638100|3.136977|3.938017|5.195169|8.375946|10.452810|12.528571|36.858105| |2.211982|2.271968|2.288258|3.055110|1.952120|1.735392|1.571506|1.559270|1.705589|1.931811|2.217286|2.475799|3.051764|4.686227|4.587343|5.179193|7.846454|14.246187|8.186869|5.288351|3.965911|6.753552|4.331473|2.632288|2.273800|73.516695| |2.898257|2.793305|2.670606|3.335258|2.090156|1.890922|1.676634|1.614787|1.729239|1.976994|2.201238|2.551523|3.053871|5.097382|4.755750|7.057547|10.814443|6.913307|4.736788|4.233335|3.187805|5.040079|3.894513|2.346774|2.126203|10.999519|388.023441| |2.430787|2.348331|2.298420|2.911988|1.856633|1.691546|1.518049|1.471559|1.572750|1.776057|1.970102|2.238265|2.643533|4.225925|3.854472|5.042527|7.350568|6.328961|4.364576|3.697559|2.889986|4.731663|3.480217|2.150289|1.932332|12.232136|94.908163|73.516695| |3.404771|3.117317|2.912138|3.499326|2.180270|1.996010|1.751559|1.661149|1.758933|2.016120|2.206184|2.589604|3.018087|5.119421|4.441352|6.562042|7.309463|4.899750|3.819410|3.707823|2.900414|4.535322|3.705139|2.251750|2.077544|7.651346|95.404838|13.680586|73.516695| |2.653226|2.593956|2.415831|3.077373|1.963756|1.787232|1.601424|1.551089|1.658188|1.875636|2.075259|2.357890|2.770453|4.490625|4.040300|5.398178|7.220787|5.700970|4.182405|3.729766|2.916033|4.693996|3.579461|2.191493|2.024228|9.858095|85.450752|14.294541|13.800773|73.516695| 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|2.953380|2.961666|2.511886|3.242078|2.134762|1.984774|1.789503|1.719468|1.810024|2.020651|2.155825|2.396400|2.615926|4.070742|3.151968|3.573006|3.483072|3.018244|2.758917|2.812269|2.442561|3.914097|3.259743|2.064525|2.050650|4.923038|26.043066|5.278742|6.608282|8.182534|6.938119|7.931741|13.750198|36.858105| |3.093118|2.950957|2.502363|3.140711|2.053680|1.925670|1.726174|1.642098|1.715859|1.918173|2.035901|2.288172|2.501028|3.958377|3.089140|3.663015|3.620612|3.029192|2.687355|2.712064|2.322042|3.715105|3.090309|1.954104|1.920269|4.975374|29.411764|5.848660|7.907978|9.260214|8.015915|6.863803|7.935006|13.740927|36.858105| |3.047014|2.880047|2.514997|3.134910|2.021947|1.878200|1.677044|1.599513|1.681962|1.892389|2.035311|2.310620|2.589949|4.179487|3.405483|4.287667|4.479175|3.593919|3.035366|2.981760|2.472893|3.946939|3.219833|2.009196|1.932001|5.928300|40.708968|7.624785|10.947192|14.090819|13.797567|7.884758|6.849391|7.919871|13.754797|36.858105| |17.539304|8.770334|6.824333|6.239070|3.664163|3.457465|2.776040|2.441896|2.505918|2.988909|3.062237|3.845507|3.896552|6.541686|4.122225|4.478519|3.515636|2.858756|2.765484|3.174783|2.819412|4.261914|4.171007|2.601748|2.573454|4.323283|23.731455|4.902442|7.229667|5.234801|3.136373|2.926464|2.871741|3.002531|3.224350|3.302154|0.500000| |17.528914|8.755920|6.816211|6.247728|3.974773|4.097484|3.222038|2.698080|2.658260|3.101450|2.982712|3.587303|3.338224|5.105783|3.166097|3.241072|2.678811|2.294117|2.270788|2.588817|2.417352|3.736304|3.657162|2.393829|2.455227|3.558871|18.163716|3.910220|5.282460|4.152313|2.493202|2.388817|2.414188|2.548195|2.670617|2.636406|0.301571|0.500000| |17.561586|8.790378|5.483773|5.577963|3.524078|3.489474|2.845931|2.469666|2.477468|2.879251|2.847274|3.409784|3.314180|5.256108|3.356970|3.574765|2.945062|2.464691|2.394569|2.704766|2.461727|3.791008|3.650500|2.340535|2.400089|3.813066|20.385318|4.251851|6.031979|4.802364|3.009341|2.871078|2.976825|3.261154|3.455588|3.293584|0.301983|0.301935|0.500000| |8.837560|17.581866|8.920141|9.507601|5.152384|4.417818|3.429471|3.065484|3.267264|4.126513|4.320406|5.741508|5.529943|9.141538|4.974189|4.740681|3.573813|3.017531|3.082569|3.758537|3.456970|5.068038|5.443231|3.306022|3.443415|4.463351|22.095626|4.537212|6.083308|5.199038|3.262307|3.332134|3.431044|3.449520|3.363504|3.266930|0.210676|0.172605|0.211797|0.500000| |8.838736|17.532856|8.866437|9.517370|6.128762|6.046761|4.392324|3.620140|3.624773|4.433774|4.103416|4.971643|4.205672|6.095759|3.510089|3.340401|2.707187|2.375910|2.438677|2.879627|2.785607|4.246056|4.427797|2.907631|3.174460|3.638784|17.416894|3.720149|4.787257|4.140319|2.559909|2.600173|2.725911|2.812377|2.754719|2.623598|0.172719|0.209936|0.212384|0.303272|0.500000| |6.887396|8.827751|17.572051|12.600137|7.246261|6.854781|4.629030|3.764607|3.811681|4.843817|4.504157|5.756946|4.653982|6.477408|3.626832|3.340165|2.699730|2.402356|2.505935|2.999061|2.964870|4.506054|4.826280|3.224247|3.373964|3.664971|17.023298|3.733554|4.664458|3.853043|2.262045|2.246858|2.238318|2.243466|2.256097|2.263627|0.169429|0.204203|0.140640|0.174144|0.211359|0.500000| |6.888494|8.858048|17.690448|12.546480|5.764845|4.706827|3.540634|3.153579|3.403886|4.452111|4.794922|7.050111|6.675264|10.573736|5.314360|4.733296|3.553253|3.069490|3.218597|4.031024|3.814096|5.522914|6.231437|3.791296|3.702027|4.508751|21.294769|4.557515|5.832434|4.662735|2.706182|2.673801|2.586961|2.534368|2.559933|2.641920|0.204264|0.169191|0.140719|0.213583|0.174005|0.303927|0.500000| |4.597603|5.800371|6.619455|9.117768|8.787863|17.740630|8.948680|5.599521|4.884973|5.569352|4.302282|4.606363|3.535861|4.604749|2.725351|2.510619|2.124363|1.948473|2.045724|2.388171|2.446934|3.853215|3.970072|2.845294|3.225865|3.048090|13.652277|3.043277|3.660153|3.212476|1.913185|1.942179|1.994182|2.014667|1.979566|1.927697|0.107424|0.138554|0.110474|0.128200|0.194015|0.226916|0.136482|0.500000| |2.921930|3.428402|3.703824|5.634500|5.681192|9.005241|17.714122|8.873293|5.645124|4.964180|3.640207|3.430871|2.725833|3.439810|2.136585|1.964397|1.721643|1.624000|1.718228|1.962350|2.065468|3.365641|3.297066|2.503752|2.940427|2.592218|11.147492|2.534892|2.924830|2.669910|1.583167|1.626981|1.682402|1.688869|1.638003|1.585922|0.072003|0.085552|0.075138|0.084870|0.109791|0.113338|0.086525|0.216727|0.500000| |2.348044|2.781375|3.043820|4.993722|4.959389|5.621525|8.861721|17.723316|8.968188|5.654731|4.050529|3.411956|2.716492|3.285341|2.071151|1.861635|1.653099|1.597837|1.724967|1.969281|2.149894|3.578291|3.460241|2.789007|3.471952|2.562608|10.539840|2.418707|2.702082|2.544723|1.500651|1.568302|1.617486|1.589556|1.517798|1.475955|0.059915|0.066030|0.061018|0.073105|0.085051|0.087104|0.074441|0.123886|0.215411|0.500000| |2.379907|2.906144|3.280578|5.870348|5.591958|4.882423|5.616880|8.947585|17.708858|8.830003|6.481018|4.560240|3.521386|3.986484|2.488001|2.149082|1.898293|1.867648|2.077712|2.425821|2.785612|4.652649|4.684765|4.096533|5.880069|2.962909|11.737743|2.689477|2.952843|2.829549|1.660407|1.762975|1.800172|1.723813|1.626425|1.597416|0.062163|0.064699|0.061303|0.079698|0.085205|0.088491|0.082407|0.106356|0.124038|0.215328|0.500000| |4.681747|4.672089|4.404859|5.183268|3.005308|2.624489|2.226182|2.104346|2.278283|2.730311|3.096249|3.906006|4.911708|9.925743|8.919881|17.774165|8.931041|5.593711|4.944530|5.667699|4.146983|5.970914|5.490008|3.091333|2.823101|7.434149|48.036311|8.337557|13.623002|9.263825|5.244916|4.743889|4.049205|3.796040|4.037916|4.718807|0.160108|0.106045|0.121016|0.153798|0.104293|0.101898|0.146212|0.074418|0.056676|0.052306|0.058896|0.500000| |2.232128|2.411985|2.530269|3.561258|2.267959|1.955481|1.775975|1.800305|2.026739|2.323547|2.795399|3.073245|3.994651|5.682697|5.614027|4.944331|5.657881|8.968605|17.770324|8.909455|7.099815|13.286225|6.411806|3.777715|3.025568|13.309000|27.768928|6.760294|5.692035|6.378378|3.229803|3.448337|2.907200|2.472060|2.391032|2.661493|0.066753|0.056336|0.058854|0.074260|0.060675|0.062576|0.077762|0.052418|0.045051|0.045968|0.055741|0.107453|0.500000| |2.514316|2.978487|3.619742|6.127465|4.077892|3.188639|2.909365|3.135493|3.929015|4.802216|6.879780|6.282571|6.589581|6.426946|4.161858|3.211156|2.817057|2.918936|3.576946|4.526680|6.438715|10.668022|12.429119|17.566510|8.876574|4.448213|16.008018|3.710493|3.874324|3.679553|2.060803|2.171427|2.075826|1.907017|1.831132|1.893560|0.071100|0.066037|0.062926|0.085800|0.077268|0.091215|0.106035|0.079161|0.069733|0.077062|0.110099|0.081642|0.097097|0.500000| |2.283989|2.688150|3.053000|5.031303|3.400027|2.734417|2.547367|2.778181|3.453689|4.028002|5.614022|5.030466|5.717294|5.882808|4.100923|3.165740|2.864695|3.084923|3.927761|4.859609|7.754031|15.123369|12.584630|17.717415|8.802011|4.743212|16.116560|3.743245|3.801253|3.807823|2.142251|2.320669|2.219786|1.992290|1.876431|1.933621|0.064406|0.059160|0.058625|0.080016|0.070572|0.075978|0.088105|0.068433|0.061888|0.069763|0.100422|0.078623|0.111192|0.302251|0.500000| |2.524548|3.129884|3.456736|6.193731|4.495496|3.469950|3.277510|3.741760|5.057808|6.012704|8.895348|6.273617|5.736934|5.828931|3.695388|2.948979|2.584691|2.628172|3.116568|3.845568|4.964821|8.158887|9.123960|8.829027|17.516976|4.050435|15.044278|3.405556|3.647614|3.652027|2.140052|2.358072|2.364992|2.151050|1.980919|1.974245|0.068436|0.065047|0.065359|0.093968|0.085769|0.084863|0.092848|0.083155|0.077091|0.091593|0.150654|0.076660|0.083973|0.173918|0.216954|0.500000| |2.351014|2.852859|3.310399|5.948768|4.579738|3.583659|3.492544|4.165268|5.916285|6.565960|8.893606|5.727351|4.876388|5.013640|3.180340|2.591331|2.292900|2.332894|2.734615|3.298746|4.228261|7.215362|7.635888|8.946854|17.558892|3.646039|13.571696|3.124901|3.322629|3.235467|1.864327|2.000138|1.984644|1.840175|1.732372|1.740711|0.063914|0.062206|0.060039|0.081794|0.078279|0.084797|0.089292|0.084366|0.081534|0.102427|0.189774|0.068088|0.074559|0.220924|0.207895|0.302843|0.500000| |2.197987|2.213345|2.211312|2.905411|1.861251|1.671575|1.512828|1.490882|1.616352|1.823537|2.064406|2.310675|2.794918|4.333907|4.122186|4.899714|7.533635|9.965483|6.090202|4.435518|3.410003|5.759323|3.870837|2.381519|2.088112|35.508485|51.953589|17.350597|8.529021|11.061949|4.443379|4.099638|3.164098|2.764795|2.869879|3.508445|0.067637|0.055409|0.059516|0.067424|0.055335|0.055752|0.068129|0.046229|0.039198|0.038352|0.043700|0.114783|0.153212|0.063529|0.066371|0.057899|0.052642|0.500000| |2.554573|2.671857|2.473692|3.310214|2.130063|1.904096|1.719973|1.696365|1.844469|2.088433|2.354537|2.624894|3.118603|4.884875|4.356431|4.989921|5.703333|5.410958|4.651015|4.262065|3.416879|5.513537|4.145046|2.518628|2.354797|8.792464|37.238305|7.519938|7.569198|13.122516|8.952194|17.742464|8.857219|5.630092|4.949525|5.636400|0.075241|0.062028|0.072308|0.086732|0.068138|0.060526|0.072526|0.052381|0.044345|0.043448|0.049682|0.125145|0.113124|0.063607|0.069523|0.068781|0.057910|0.128888|0.500000| |2.603546|2.774584|2.451716|3.321029|2.197149|1.995005|1.818180|1.790474|1.926422|2.150828|2.354541|2.565443|2.859213|4.313196|3.408683|3.620366|3.576760|3.318875|3.162340|3.206261|2.826564|4.575103|3.698407|2.335805|2.315415|5.394831|24.176518|5.048937|5.667311|7.519445|5.678527|8.936078|17.727054|8.907126|5.642624|4.940502|0.073127|0.063073|0.076324|0.091001|0.073686|0.060186|0.068709|0.054858|0.047088|0.046019|0.051749|0.099004|0.079880|0.058482|0.063794|0.069369|0.057165|0.080706|0.213655|0.500000| |2.843756|2.873356|2.415863|3.144241|2.106644|1.980932|1.800304|1.728983|1.806760|1.996348|2.099595|2.301910|2.452851|3.733732|2.809517|3.078550|2.955399|2.618409|2.452429|2.529088|2.256540|3.641364|3.059046|1.970890|1.991274|4.295631|21.668823|4.524613|5.551761|6.495877|4.986249|5.644415|8.917546|17.724120|8.914767|5.640380|0.078296|0.068880|0.088317|0.091835|0.077786|0.060430|0.066492|0.055867|0.047428|0.044580|0.047803|0.090766|0.061877|0.050562|0.052812|0.058349|0.049916|0.066682|0.123800|0.214751|0.500000| |3.075694|2.855610|2.400642|2.984705|1.973504|1.879788|1.690186|1.596119|1.649511|1.829769|1.913117|2.138352|2.290448|3.582702|2.731506|3.182233|3.107526|2.631430|2.364713|2.402662|2.093900|3.367874|2.820591|1.808137|1.791668|4.358337|25.288650|5.197587|7.041523|7.479561|5.684046|4.947960|5.644141|8.908696|17.726755|8.944866|0.087964|0.074728|0.097782|0.088171|0.075029|0.060996|0.067560|0.054172|0.044921|0.041119|0.043306|0.098622|0.059019|0.047420|0.048093|0.051107|0.045240|0.070154|0.107479|0.124062|0.214859|0.500000| |2.995216|2.744748|2.422160|2.978569|1.925560|1.803996|1.611202|1.529220|1.598197|1.792079|1.914546|2.173977|2.419343|3.893419|3.154248|3.997591|4.221274|3.376714|2.829808|2.765146|2.304831|3.697086|3.006887|1.890573|1.811192|5.661139|41.654943|8.027005|12.360697|12.877872|8.943969|5.635984|4.943786|5.627243|8.862492|17.766865|0.091677|0.072989|0.089696|0.084308|0.069218|0.061366|0.071202|0.051801|0.042539|0.039274|0.042100|0.124358|0.069304|0.050067|0.050451|0.050915|0.045641|0.095401|0.124454|0.107382|0.123798|0.213923|0.500000|
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