Version2.3 2021-03-31T19:56:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c2ccccc2)c3ccccc3 C15209608 RHF 6-31G(d) (6D,7F) C[NH+](C)CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c2ccccc2)c3ccccc3 C01[X(C23H27N4O4S1)] 171 C1 538 C[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c1ccccc1)c1ccccc1)C C[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c1ccccc1)c1ccccc1)C C[NH+](C)CCN[S](=O)(=O)c1ccc(NC(c2ccccc2)c3ccccc3)c(c1)[N+]([O-])=O InChIKey=BBDQOCOHDZGNMK-UHFFFAOYSA-O InChI=1S/C23H26N4O4S/c1-26(2)16-15-24-32(30,31)20-13-14-21(22(17-20)27(28)29)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23-25H,15-16H2,1-2H3/p+1 InChI=1/C23H26N4O4S/c1-26(2)16-15-24-32(30,31)20-13-14-21(22(17-20)27(28)29)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23-25H,15-16H2,1-2H3/p+1/fC23H27N4O4S/h26H/q+1 C[NH+](C)CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c2ccccc2)c3ccccc3 C01[X(C23H27N4O4S1)] 171 C01 538 C[NH+](CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c1ccccc1)c1ccccc1)C C[NH](CCN[S@]([O])(=O)[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])[NH]C([C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1)C C[NH](C)CCN[S]([O])(=O)[C]1[CH][CH][C](NC([C]2[CH][CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH][CH]3)[C]([CH]1)N([O])[O] InChIKey=DYOXGDCHLAVWHM-UHFFFAOYSA-N InChI=1S/C23H27N4O4S/c1-26(2)16-15-24-32(30,31)20-13-14-21(22(17-20)27(28)29)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23,25-26H,15-16H2,1-2H3,(H,24,30,31) InChI=1/C23H27N4O4S/c1-26(2)16-15-24-32(30,31)20-13-14-21(22(17-20)27(28)29)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23,25-26H,15-16H2,1-2H3,(H,24,30,31)/f/h24H 3372.0425971809 -1801.0392535 1-A 20943.3317 120 418 538 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0.7416 0.8227 0.7430 0.7762 0.6083 0.6555 0.8155 0.8568 0.8441 0.6157 0.4993 0.3724 0.6658 0.3560 0.7924 0.0495 0.8178 0.1000 0.3274 0.8570 0.8315 0.3144 0.3258 0.5801 0.4116 0.7927 0.8377 0.2855 0.8528 0.6664 0.5996 0.3932 0.8560 0.6235 0.1546 0.1921 0.5419 0.4208 0.5718 0.8442 0.1496 0.3712 0.6482 0.6695 0.8540 0.6277 0.5375 0.7122 0.6072 0.7454 0.8344 0.8398 0.8133 0.8566 0.2541 0.7379 0.7179 0.4295 0.5125 0.3705 0.5684 0.8556 0.4176 0.7783 0.7776 0.5967 0.5184 0.8106 0.8549 0.4093 0.7985 0.8353 0.3280 0.8548 0.8383 0.6603 0.4366 0.3005 0.4226 0.8571 0.6016 0.7722 0.6965 0.8203 0.4259 0.8557 0.6027 0.8480 0.2192 0.7686 0.7858 0.7542 0.6587 0.6492 0.8350 0.8367 0.5036 0.7557 0.6803 0.7567 0.8316 0.6264 0.8214 0.1516 0.2768 0.0241 0.1146 0.1287 0.8418 0.7178 0.6581 0.8222 0.8513 0.8417 0.8262 0.8329 0.8289 0.8521 0.8274 0.8497 0.6043 0.2350 0.1809 0.7526 0.6388 0.3232 0.4134 0.3863 0.3941 0.2371 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 7 1 6 6 6 7 16 8 8 6 6 6 6 6 6 7 8 8 7 6 6 6 6 6 6 6 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 1 1 1 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 7383.8318 32490.4125 35617.5145 0.99997 -0.00262 0.00762 0.00251 0.99989 0.01457 -0.00766 -0.01455 0.99986 1 0.01173 0.00267 0.00243 0.24442 0.05555 0.05067 10.16 21.97 26.19 30.35 48.90 56.65 66.00 74.51 79.06 81.97 94.55 110.60 176.41 191.33 219.62 254.38 276.73 305.06 316.02 325.51 360.49 377.61 390.78 405.82 422.64 445.15 455.72 482.08 515.82 536.63 571.55 600.44 608.53 653.12 653.67 655.79 684.79 706.27 733.51 736.93 763.01 772.70 858.11 879.28 913.72 919.96 956.09 968.25 972.98 977.28 1017.37 1027.47 1053.11 1117.32 1122.52 1129.01 1148.59 1185.09 1202.96 1236.79 1255.05 1273.52 1306.36 1314.43 1338.06 1370.64 1379.06 1384.02 1394.24 1451.04 1481.06 1510.01 1512.14 1527.36 1559.96 1567.13 1570.31 1587.05 1591.20 1593.03 1618.43 1622.07 1628.87 1630.68 1633.55 1643.89 1666.16 1694.46 1705.09 1708.20 1726.51 1729.88 1749.19 1757.13 1766.32 1801.94 1846.01 1855.09 1867.61 1874.08 1877.46 1881.37 1888.94 1924.88 1942.91 1966.92 1968.61 2011.83 2029.51 2076.44 2094.85 2100.82 2111.29 2123.12 2150.21 2175.68 2178.53 2244.08 2259.17 2260.71 2285.36 2291.94 2293.10 2324.14 2327.51 2328.79 2332.35 2337.32 2345.18 2352.66 2361.43 2369.34 2377.64 2381.80 2403.35 2404.96 2426.63 2533.91 2566.53 2569.59 2571.66 2601.63 2605.71 2662.80 4657.60 4686.14 4694.08 4714.20 4727.52 4762.30 4823.48 4826.38 4838.43 4841.40 4843.78 4845.32 4852.72 4856.82 4857.14 4860.70 4870.56 4875.31 4883.39 4887.37 4897.42 4900.40 4957.28 4984.34 5311.36 5507.24 5581.29 0.521166 0.549404 0.550348 0.455577 -1800.518088 -1800.489849 -1800.488905 -1800.583676 3.178635D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE C[NH+](C)CCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NC(c2ccccc2)c3ccccc3 C15209608 RHF 6-31G(d) (6D,10F) C1 455.175302 |X|Y|Z| 129.030958 54.585315 36.254583 63.442100 20 6 7 19 1 |36.858105| |12.692898|53.358707| |9.326225|25.705079|0.500000| |7.734961|17.354976|0.260598|36.858105| |7.627295|17.185338|0.257255|7.668801|36.858105| |5.934517|10.250007|0.206503|4.995763|12.364729|36.858105| |4.488330|6.881279|0.133290|3.838945|7.662534|13.216924|53.358707| |4.291548|5.787381|0.108337|3.346021|5.647085|7.068768|15.655324|388.023441| |3.463484|4.785021|0.089132|2.965068|4.609632|5.133873|10.577868|94.994987|73.516695| |5.746509|6.928989|0.123758|3.853101|6.303408|6.849857|10.556189|94.164789|13.527389|73.516695| |3.487016|4.564881|0.090144|2.702789|3.996672|5.158639|9.467810|77.656118|13.087230|13.128661|36.858105| |2.794411|3.754302|0.074922|2.311557|3.255376|4.051500|7.343845|49.410262|11.341445|8.777805|13.555504|36.858105| |2.448508|3.257131|0.065977|2.036005|2.714277|3.303181|5.484042|33.813654|7.829196|6.826963|7.934138|14.011192|36.858105| |2.473256|3.213158|0.065754|1.999380|2.587918|3.129475|4.876967|29.587176|6.490318|6.510621|6.721609|7.809224|13.357397|36.858105| |2.937582|3.707134|0.075920|2.250603|2.942620|3.604326|5.440984|33.845162|6.840933|7.904175|7.947933|6.882960|7.905203|13.388392|36.858105| |3.610320|4.508900|0.090728|2.647577|3.687788|4.668409|7.286490|50.096122|8.905511|11.644626|13.900277|7.950253|6.882242|7.762307|13.727143|36.858105| |2.861815|3.527450|0.073107|2.160758|2.677965|3.175892|4.492050|26.620109|5.483047|6.719055|5.183501|4.524555|5.051873|7.560697|13.175810|7.949915|53.358707| |2.438037|3.046199|0.063346|1.908918|2.298883|2.673590|3.777338|21.883472|4.704710|5.450459|4.083257|3.849913|4.524216|6.803792|8.357998|5.462722|21.639515|73.516695| |3.278851|3.908370|0.081302|2.362653|2.879400|3.371870|4.563175|26.715238|5.375042|7.184532|4.786211|3.939015|4.076179|5.329144|8.404414|7.295721|21.689023|16.076606|73.516695| |2.141667|2.788155|0.057397|1.768287|2.203162|2.596373|3.923918|22.914406|5.206466|5.207291|4.571006|5.227860|7.953625|14.279953|7.820377|5.160051|8.764775|12.742650|8.168007|53.358707| |1.868837|2.466253|0.050639|1.591578|1.956551|2.266450|3.444072|19.780850|4.699393|4.448732|3.703469|4.455591|6.528783|7.637876|4.998144|3.852178|5.868371|8.449065|6.038038|17.698472|36.858105| |1.690118|2.213824|0.045491|1.445031|1.726124|1.958765|2.906120|16.587238|3.953676|3.850539|2.956730|3.345865|4.376944|5.177004|3.979424|3.147787|5.167851|7.909801|5.467338|10.732204|12.484517|36.858105| |1.617365|2.102718|0.042870|1.382654|1.634514|1.824042|2.705108|15.702478|3.796918|3.691578|2.736942|3.053660|3.824631|4.355135|3.535720|2.893556|4.641353|6.961338|5.043988|7.917430|7.572937|13.711805|36.858105| |1.482576|1.923507|0.039267|1.275863|1.479055|1.630693|2.382984|13.683551|3.310880|3.270018|2.313459|2.511172|3.006803|3.388288|2.926439|2.458250|3.999600|6.037785|4.487247|5.801828|5.013934|7.900801|13.753112|36.858105| |1.420108|1.848845|0.037994|1.229059|1.411556|1.557594|2.249571|12.684582|3.044412|3.044690|2.124873|2.279624|2.701547|3.067581|2.702977|2.274572|3.789074|5.816321|4.296048|5.252499|4.418780|6.837835|7.943048|13.757085|36.858105| |1.468211|1.922414|0.039771|1.271866|1.468755|1.638325|2.360163|13.131674|3.121961|3.130925|2.221948|2.392493|2.875085|3.316639|2.885845|2.391257|4.060104|6.339473|4.548944|5.875163|4.988624|7.912057|6.893301|7.951344|13.749213|36.858105| |1.598061|2.100474|0.043510|1.377107|1.620074|1.834007|2.670899|14.878147|3.518365|3.493305|2.587507|2.845915|3.561918|4.201427|3.461127|2.783897|4.730430|7.422275|5.126529|8.091593|7.475515|13.706117|7.956112|6.877419|7.929693|13.754784|36.858105| |1.790420|2.410120|0.049874|1.561731|1.923635|2.246491|3.414321|18.789287|4.500695|4.155536|3.408853|4.166020|5.764311|5.867583|4.164703|3.416389|4.906962|6.835038|5.268439|10.372107|12.480764|7.463248|5.110434|3.902172|3.703781|4.360595|6.295114|36.858105| |1.629938|2.211496|0.045557|1.451426|1.771692|2.036300|3.106572|16.992427|4.197684|3.747659|2.949468|3.620874|4.640975|4.341139|3.297815|2.860281|3.929394|5.378650|4.372978|6.926235|7.594084|5.833472|4.556419|3.621579|3.414355|3.861729|5.066744|13.689393|36.858105| |1.544488|2.121791|0.043920|1.402221|1.699895|1.948816|2.949324|15.666899|3.888508|3.455695|2.628847|3.157950|3.790759|3.511727|2.821990|2.525856|3.416023|4.621281|3.897451|5.305830|5.021608|4.223630|3.470971|2.943763|2.873167|3.256718|4.021305|7.898262|13.774212|36.858105| |1.585126|2.194743|0.045864|1.446306|1.753038|2.030507|3.035306|15.692761|3.828073|3.468293|2.618224|3.073348|3.611569|3.421722|2.825270|2.539321|3.457899|4.659147|3.975835|5.075658|4.414622|3.736200|3.036337|2.630058|2.634107|3.051438|3.745741|6.828576|7.937644|13.733470|36.858105| |1.730996|2.388072|0.050271|1.555130|1.899669|2.238700|3.320632|17.072365|4.053523|3.782780|2.923176|3.386465|4.071800|4.034534|3.313366|2.903320|4.065978|5.508143|4.609522|6.053658|4.976812|4.074651|3.183425|2.730518|2.759171|3.279376|4.167919|7.907712|6.896478|7.958661|13.772409|36.858105| |1.854452|2.518753|0.052778|1.623394|2.001988|2.374881|3.551209|18.839366|4.409497|4.177738|3.386972|3.980704|5.193002|5.476604|4.174617|3.449917|5.030691|6.953892|5.464056|8.914523|7.449299|5.461528|3.959961|3.246095|3.228159|3.899721|5.370021|13.733077|7.963518|6.882789|7.925373|13.725962|36.858105| |17.651303|12.303817|0.227513|7.062574|5.580803|4.673429|4.968072|24.847222|5.162744|7.873819|3.005203|2.470654|2.218180|2.273853|2.686882|3.181988|3.670848|4.146484|5.553751|2.728195|1.754801|1.606271|1.538873|1.422786|1.371795|1.418580|1.532862|1.682604|1.532622|1.456518|1.499111|1.638020|1.749021|0.500000| |17.705503|12.212836|0.218068|5.610074|7.128469|6.662967|6.906560|35.773889|6.770149|12.723201|4.168840|3.202233|2.789350|2.855408|3.510224|4.478706|4.644811|5.022362|7.119144|3.305830|2.079371|1.865103|1.775624|1.615577|1.543477|1.600750|1.755122|1.975458|1.776501|1.669519|1.713723|1.889536|2.049662|0.298346|0.500000| |17.662353|12.330262|0.181431|7.171050|6.864859|5.105279|5.737195|30.420209|6.365803|10.543781|3.373062|2.725898|2.374074|2.372576|2.782500|3.415556|3.653568|4.096376|5.384393|2.801666|1.811397|1.643081|1.588269|1.457764|1.387820|1.423563|1.543695|1.724811|1.582076|1.494940|1.520514|1.645372|1.764293|0.298424|0.301490|0.500000| |6.966193|12.336727|0.181693|17.647747|7.074155|4.545264|5.072468|24.063003|5.478615|7.014257|2.673342|2.293870|2.007967|1.956470|2.189337|2.583710|2.840218|3.283198|4.028668|2.353411|1.563840|1.421243|1.369556|1.263880|1.211332|1.246273|1.346811|1.526583|1.426109|1.373612|1.405734|1.501423|1.571102|0.169257|0.143608|0.213205|0.500000| |5.616392|12.287786|0.226256|17.651581|7.002647|4.813851|5.080103|22.260657|5.030423|6.094285|2.555125|2.228406|1.967727|1.916352|2.125277|2.470837|2.760825|3.212392|3.890184|2.318260|1.545692|1.401252|1.335887|1.232988|1.191102|1.236342|1.339742|1.533101|1.432401|1.395038|1.445643|1.549265|1.601182|0.145349|0.125726|0.144281|0.299023|0.500000| |7.236862|12.294226|0.222299|17.649941|5.583785|4.141400|4.444023|20.857151|4.623492|6.037002|2.461476|2.118089|1.896824|1.888742|2.132059|2.466721|2.841435|3.300752|4.097030|2.296813|1.518127|1.390939|1.333372|1.237972|1.197361|1.238195|1.333182|1.485514|1.378733|1.331699|1.374788|1.480307|1.546013|0.219081|0.145304|0.182212|0.299169|0.299139|0.500000| |5.641546|12.355697|0.210477|7.608991|17.625484|8.770564|8.761749|33.243024|7.386142|8.571449|3.447944|2.945879|2.483190|2.341176|2.590815|3.141208|3.215524|3.673009|4.445925|2.752257|1.825598|1.615879|1.530643|1.390102|1.330337|1.384621|1.522875|1.816981|1.693016|1.641966|1.697447|1.822480|1.893441|0.126616|0.142842|0.147402|0.196531|0.228035|0.149472|0.500000| |7.455558|12.424042|0.182990|6.640938|17.693624|8.763588|9.942436|45.436687|9.492715|13.800340|4.175643|3.360583|2.761382|2.612020|2.969588|3.777122|3.645353|4.078102|5.101602|3.011581|1.968173|1.737872|1.661971|1.501871|1.422289|1.468447|1.616463|1.911205|1.766683|1.681479|1.713301|1.843870|1.958579|0.147433|0.195002|0.219039|0.197784|0.159870|0.139839|0.300777|0.500000| |6.668417|9.927732|0.211997|4.675988|8.761639|17.627922|12.619738|47.870733|8.242467|12.916833|5.516900|4.125892|3.446730|3.402997|4.120223|5.482605|5.038781|5.393447|7.227551|3.811009|2.384558|2.066685|1.917378|1.713845|1.640760|1.730797|1.940259|2.331718|2.078022|1.969270|2.055515|2.299743|2.479123|0.146529|0.237922|0.149391|0.116681|0.120169|0.113484|0.174684|0.196747|0.500000| |4.848773|8.700758|0.195734|4.638397|8.801042|17.588521|12.649473|37.937137|7.563482|8.816880|4.367181|3.669721|3.088783|2.928011|3.281132|4.014813|3.990870|4.481849|5.465969|3.373112|2.190021|1.896843|1.752006|1.571966|1.513935|1.603812|1.795744|2.216635|2.017998|1.960556|2.073008|2.290502|2.384001|0.113872|0.144249|0.115677|0.113692|0.132520|0.108776|0.223319|0.174529|0.304467|0.500000| |3.808870|5.993002|0.116311|3.571730|6.577556|9.018925|25.947509|60.330749|13.722807|10.455202|5.699303|4.992782|3.770618|3.258347|3.469625|4.372548|3.929380|4.429146|5.130152|3.646087|2.416071|2.040214|1.902985|1.679379|1.585557|1.661523|1.876589|2.436290|2.260258|2.173648|2.234091|2.404178|2.523683|0.088349|0.114098|0.101691|0.097623|0.099590|0.084103|0.174872|0.175872|0.179777|0.221197|0.500000| |2.633527|3.617270|0.071639|2.266740|3.200721|3.887792|7.292559|46.906105|12.817564|8.060533|8.847734|17.744574|9.043384|5.593829|4.959327|5.655890|4.907481|5.637412|5.758026|5.761887|3.900115|3.003997|2.783378|2.318428|2.106939|2.196654|2.578936|3.806273|3.500495|3.132149|3.016860|3.207114|3.608245|0.064573|0.081819|0.072195|0.063025|0.061334|0.057241|0.082411|0.092438|0.104886|0.099114|0.148689|0.500000| |2.169312|2.918067|0.059197|1.857434|2.422449|2.886092|4.733334|27.997225|6.867635|5.735929|5.662647|9.084706|17.813877|8.833611|5.627274|4.964660|5.566535|6.894009|6.002066|9.874414|7.430025|4.702669|4.061179|3.137116|2.800273|2.984842|3.744702|7.056524|5.916477|4.602846|4.168866|4.518207|5.745383|0.055060|0.067386|0.058721|0.051013|0.050286|0.048181|0.062719|0.068292|0.082018|0.076470|0.093661|0.220056|0.500000| |4.314610|5.109858|0.102369|2.925646|4.028946|4.984694|7.122156|47.427123|8.201949|13.381044|8.950208|5.643222|4.965551|5.591945|9.005508|17.822196|10.196402|9.065006|15.102879|5.703612|3.239249|2.768898|2.585349|2.253697|2.107110|2.202431|2.506941|2.906960|2.478958|2.225881|2.253052|2.558552|2.967796|0.104841|0.157420|0.111546|0.078871|0.074302|0.076256|0.092513|0.114873|0.173971|0.115603|0.115928|0.124032|0.107868|0.500000| |2.116216|2.724951|0.056328|1.731826|2.114901|2.466951|3.630987|21.031569|4.727068|4.942436|4.038579|4.304265|5.810092|9.565904|7.332611|4.793994|10.012157|17.537648|8.990479|26.079681|9.039151|7.753670|5.841005|4.496034|4.189938|4.755177|6.428474|6.008396|4.274032|3.414543|3.331107|3.978951|5.582799|0.055609|0.066721|0.056302|0.046900|0.046163|0.046293|0.053777|0.058845|0.074832|0.065461|0.068401|0.098792|0.146488|0.113632|0.500000| |1.858196|2.452014|0.049881|1.588361|1.963209|2.254057|3.484442|20.482120|4.996371|4.554343|3.817390|4.779160|7.020013|7.080930|4.708870|3.810887|5.339216|7.348776|5.630764|12.528664|17.583082|9.031817|7.465384|4.848906|4.028539|4.227598|5.643728|8.977153|7.244115|4.782831|4.014673|4.249246|5.710651|0.048171|0.057224|0.050531|0.043684|0.042807|0.041908|0.050969|0.055453|0.065155|0.059982|0.068445|0.118885|0.242262|0.088496|0.187004|0.500000| |1.661699|2.155629|0.043642|1.417316|1.687216|1.875646|2.813982|16.650582|4.078805|3.895354|2.908570|3.286637|4.101338|4.499736|3.629403|3.023249|4.608719|6.650464|5.035909|7.648661|7.056644|8.904134|17.698981|8.937426|5.652713|4.961117|5.649118|4.751991|4.369036|3.328887|2.880080|2.980743|3.661188|0.043656|0.050686|0.045650|0.039214|0.037955|0.037827|0.043827|0.048055|0.054515|0.049649|0.055077|0.083649|0.121681|0.074466|0.148521|0.229603|0.500000| |1.427348|1.846543|0.037533|1.231563|1.417257|1.547028|2.258360|13.039402|3.181454|3.137858|2.168708|2.335054|2.730007|3.012141|2.663016|2.288639|3.637507|5.372466|4.160127|4.913421|4.097313|5.633055|8.925521|17.722629|8.910614|5.649174|4.954733|3.285602|3.132089|2.604868|2.329835|2.389799|2.778197|0.038089|0.043009|0.039221|0.034032|0.033012|0.033233|0.037049|0.040176|0.045017|0.041290|0.044304|0.060466|0.078702|0.058842|0.104508|0.115229|0.216065|0.500000| |1.331923|1.733063|0.035611|1.159172|1.315815|1.440113|2.065595|11.594652|2.789864|2.804693|1.909358|2.025750|2.349180|2.632042|2.378140|2.039391|3.365367|5.100524|3.897488|4.340927|3.536978|4.934189|5.647120|8.913399|17.723375|8.911255|5.642414|3.078681|2.899804|2.518905|2.334763|2.424092|2.758096|0.035906|0.039995|0.036219|0.031758|0.031215|0.031476|0.034539|0.036829|0.042069|0.038938|0.040516|0.052412|0.067228|0.053131|0.095846|0.091532|0.124280|0.214644|0.500000| |1.404524|1.844522|0.038319|1.225003|1.401003|1.558378|2.223661|12.217353|2.897894|2.927054|2.038391|2.170904|2.559060|2.922835|2.608402|2.193989|3.718348|5.761105|4.247552|4.991357|4.071447|5.638639|4.962974|5.650854|8.913405|17.722828|8.933308|3.795928|3.417378|3.017122|2.909383|3.131806|3.586237|0.037897|0.042362|0.037714|0.033246|0.033156|0.033238|0.036804|0.038725|0.045723|0.042637|0.043547|0.055682|0.073312|0.056765|0.112138|0.096985|0.107669|0.124137|0.214787|0.500000| |1.622664|2.148512|0.044808|1.405100|1.657173|1.892436|2.742908|15.003728|3.521744|3.504858|2.608359|2.864741|3.572542|4.199272|3.479517|2.805334|4.751863|7.385510|5.170473|7.903988|6.905323|8.894596|5.648888|4.955547|5.650778|8.945098|17.730555|6.896671|5.282316|4.371537|4.297662|5.044809|6.618484|0.043279|0.049523|0.043237|0.037966|0.038119|0.037773|0.043360|0.045551|0.055659|0.051954|0.053567|0.072083|0.104026|0.070159|0.171803|0.141279|0.124025|0.107575|0.124301|0.216406|0.500000| |1.571067|2.120725|0.043395|1.399287|1.698101|1.926865|2.947808|16.414671|4.119731|3.639303|2.817734|3.455464|4.357140|4.034029|3.100712|2.717260|3.707164|5.071316|4.150032|6.378147|7.095975|5.891681|5.003732|3.919380|3.549557|3.826760|4.817861|8.899855|17.693878|8.941485|5.648872|4.962392|5.653513|0.041022|0.047413|0.042688|0.038423|0.038259|0.036940|0.045087|0.047450|0.054469|0.052599|0.059700|0.094034|0.154770|0.065752|0.110640|0.216780|0.138123|0.095362|0.083653|0.092309|0.129710|0.500000| |1.442785|1.986921|0.040993|1.324410|1.591283|1.801652|2.722275|14.456060|3.641580|3.201401|2.368087|2.817264|3.270371|3.002710|2.474390|2.257281|3.019019|4.064092|3.493046|4.449177|4.105309|3.625987|3.136242|2.726443|2.652613|2.928226|3.457066|5.631812|8.935014|17.721102|8.904654|5.653109|4.957396|0.037843|0.043018|0.038983|0.036169|0.036686|0.034948|0.042964|0.043860|0.050201|0.050357|0.056208|0.079211|0.108908|0.055847|0.080901|0.113375|0.084729|0.068297|0.065665|0.075995|0.101354|0.216201|0.500000| 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