Version2.1 2020-12-28T07:18:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 19-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)NC(=O)Nc2ccc(cc2)[C@@H]3C(=C([NH+]=C4N3CCCS4)C)C(=O)NC C35746044 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)NC(=O)Nc2ccc(cc2)[C@@H]3C(=C([NH+]=C4N3CCCS4)C)C(=O)NC C01[X(C25H30N5O2S1)] 183 C1 559 CNC(=O)C1=C(C)[NH+]=C2N([C@@H]1c1ccc(cc1)NC(=O)Nc1cccc(c1C)C)CCCS2 CNC(=O)C1=C(C)[NH+]=C2N([C@@H]1c1ccc(cc1)NC(=O)Nc1cccc(c1C)C)CCCS2 CNC(=O)C1=C(C)[NH+]=C2SCCCN2[C@@H]1c3ccc(NC(=O)Nc4cccc(C)c4C)cc3 InChIKey=DAOJSMQNRSYJDD-JOCHJYFZSA-O InChI=1S/C25H29N5O2S/c1-15-7-5-8-20(16(15)2)29-24(32)28-19-11-9-18(10-12-19)22-21(23(31)26-4)17(3)27-25-30(22)13-6-14-33-25/h5,7-12,22H,6,13-14H2,1-4H3,(H,26,31)(H2,28,29,32)/p+1/t22-/m1/s1 InChI=1/C25H29N5O2S/c1-15-7-5-8-20(16(15)2)29-24(32)28-19-11-9-18(10-12-19)22-21(23(31)26-4)17(3)27-25-30(22)13-6-14-33-25/h5,7-12,22H,6,13-14H2,1-4H3,(H,26,31)(H2,28,29,32)/p+1/t22-/m1/s1/fC25H30N5O2S/h26-29H/q+1 Cc1cccc(c1C)NC(=O)Nc2ccc(cc2)[C@@H]3C(=C([NH+]=C4N3CCCS4)C)C(=O)NC C01[X(C25H30N5O2S1)] 183 C01 559 CNC(=O)C1=C(C)[NH+]=C2N([C@@H]1c1ccc(cc1)NC(=O)Nc1cccc(c1C)C)CCCS2 CNC(=O)C1=C(C)[NH][C]2[N@@]([C@@H]1[C]1[CH][CH][C]([CH][CH]1)NC(=O)N[C]1[CH][CH][CH][C]([C]1C)C)CCCS2 CNC(=O)C1=C(C)N[C]2SCCCN2[C@@H]1[C]3[CH][CH][C]([CH][CH]3)NC(=O)N[C]4[CH][CH][CH][C](C)[C]4C InChIKey=LVQKCHBZKKPCMX-JOCHJYFZSA-N InChI=1S/C25H30N5O2S/c1-15-7-5-8-20(16(15)2)29-24(32)28-19-11-9-18(10-12-19)22-21(23(31)26-4)17(3)27-25-30(22)13-6-14-33-25/h5,7-12,22,27H,6,13-14H2,1-4H3,(H,26,31)(H2,28,29,32)/t22-/m1/s1 InChI=1/C25H30N5O2S/c1-15-7-5-8-20(16(15)2)29-24(32)28-19-11-9-18(10-12-19)22-21(23(31)26-4)17(3)27-25-30(22)13-6-14-33-25/h5,7-12,22,27H,6,13-14H2,1-4H3,(H,26,31)(H2,28,29,32)/t22-/m1/s1/f/h26,28-29H 3418.5407381026 -1783.5237841 1-A 25029.9278 123 436 559 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0.04618 0.04219 8.25 15.93 38.69 48.02 48.53 61.64 69.86 82.44 89.64 105.05 112.87 120.82 139.62 157.94 177.60 189.45 211.28 239.64 246.85 268.96 283.04 291.26 320.28 371.73 383.66 396.73 402.43 419.96 441.41 459.76 482.96 501.78 521.31 532.06 555.43 559.97 589.46 600.51 659.42 683.09 705.98 743.41 759.04 766.23 775.47 783.84 797.47 802.37 835.61 860.33 868.34 878.40 902.40 954.58 990.43 1011.17 1026.49 1044.01 1092.60 1138.22 1141.75 1186.67 1208.69 1212.34 1217.35 1247.31 1263.88 1289.56 1307.76 1317.05 1338.86 1351.53 1359.51 1382.39 1401.61 1438.92 1449.16 1479.23 1511.06 1557.76 1563.73 1588.87 1590.61 1591.67 1598.12 1607.91 1627.01 1629.42 1658.46 1682.76 1691.85 1695.74 1705.46 1728.45 1738.94 1771.37 1781.80 1788.51 1807.23 1832.50 1863.03 1867.79 1873.11 1883.41 1891.88 1900.38 1914.60 1932.02 1935.41 1964.17 1987.26 2010.82 2016.12 2043.29 2048.76 2081.10 2096.53 2114.56 2148.89 2161.74 2205.42 2232.19 2248.97 2264.48 2264.67 2273.39 2309.90 2311.83 2328.38 2336.26 2337.33 2340.19 2347.65 2349.18 2356.11 2363.17 2373.30 2374.49 2375.07 2386.89 2428.26 2440.98 2453.74 2463.92 2472.79 2568.14 2573.49 2576.16 2601.17 2604.62 2738.45 2810.15 2827.17 4586.76 4612.26 4621.70 4653.85 4664.88 4676.36 4687.07 4701.52 4704.65 4707.62 4713.09 4734.94 4737.37 4757.64 4769.04 4802.38 4808.25 4817.74 4822.58 4840.73 4847.59 4850.90 4868.78 4883.56 4912.81 4997.24 5531.00 5563.46 5584.82 5587.39 0.563200 0.594107 0.595051 0.495508 -1782.960584 -1782.929677 -1782.928733 -1783.028276 3.338689D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE Cc1cccc(c1C)NC(=O)Nc2ccc(cc2)[C@@H]3C(=C([NH+]=C4N3CCCS4)C)C(=O)NC C35746044 RHF 6-31G(d) (6D,10F) C1 464.212022 |X|Y|Z| 59.786579 40.197412 140.853077 69.693036 25 6 7 16 20 4 1 |36.858105| |12.586200|36.858105| |7.609389|13.739035|36.858105| |5.026023|7.887981|13.758815|36.858105| |4.427162|6.828065|7.968880|13.823202|36.858105| |5.005207|7.927249|6.932391|7.979757|13.736486|36.858105| |7.492160|13.589411|7.915690|6.822647|7.852728|13.674932|36.858105| |6.416936|7.505930|5.008870|4.423923|5.000406|7.547505|12.581608|36.858105| |3.832482|5.140992|4.563681|5.162750|7.837488|13.347070|7.841372|6.678729|53.358707| |3.130996|3.982264|3.741046|4.339110|6.229637|7.722429|5.332920|4.827449|19.108680|36.858105| |2.991537|3.800723|3.744767|4.491988|6.300116|6.672943|4.754334|4.125282|11.463582|15.911726|73.516695| |2.667315|3.208658|2.990317|3.338587|4.379797|5.215542|4.121962|4.099612|11.345226|13.733096|14.921187|53.358707| |2.259964|2.639730|2.512478|2.790818|3.479234|3.865705|3.213970|3.213166|7.147798|7.650170|11.766759|18.620499|36.858105| |2.035916|2.310524|2.179493|2.361438|2.840229|3.163386|2.764126|2.866392|5.590140|5.151038|7.996933|10.880002|13.680262|36.858105| |1.787442|1.998655|1.909788|2.061891|2.415755|2.612091|2.323859|2.390908|4.363512|3.896908|6.494271|7.080539|7.893452|13.774775|36.858105| |1.710423|1.918125|1.863284|2.031921|2.362893|2.485721|2.196274|2.207778|4.037907|3.665504|6.498712|6.168442|6.773032|7.895498|13.721992|36.858105| |1.839110|2.097587|2.062024|2.291059|2.701578|2.793710|2.407368|2.359288|4.539326|4.334995|8.140096|7.004028|7.928113|6.926704|8.002495|13.674408|36.858105| |2.112341|2.466279|2.414293|2.725629|3.339516|3.499671|2.905395|2.808755|5.962195|6.300148|11.935564|10.532583|13.613980|7.936414|6.875617|7.857447|13.821181|36.858105| |1.510025|1.668687|1.630282|1.762157|2.001688|2.079276|1.873090|1.884787|3.266836|2.844691|5.108625|4.530160|4.396474|5.004476|7.535474|12.527858|7.485756|4.984933|36.858105| |1.454084|1.594131|1.547910|1.658881|1.875361|1.963770|1.788168|1.820301|3.084909|2.629945|4.623075|4.226256|3.982376|4.813107|7.393237|8.960250|5.590762|4.186727|17.612394|0.500000| |1.415280|1.565169|1.549925|1.687191|1.900171|1.932833|1.734694|1.718849|2.984416|2.565986|4.671493|3.960333|3.672581|3.926695|5.174706|7.408602|6.071629|4.277973|12.536078|0.249762|36.858105| |1.370742|1.513865|1.511767|1.648440|1.837934|1.845699|1.660388|1.630368|2.798258|2.396675|4.467665|3.575006|3.217776|3.275169|4.020429|5.514534|5.274986|3.859014|7.707536|0.163711|14.374653|36.858105| |1.396152|1.537828|1.532511|1.663277|1.846733|1.860209|1.683686|1.656673|2.800510|2.408517|4.561716|3.537587|3.167041|3.167144|3.815203|5.212964|5.224727|3.852127|6.905614|0.145932|8.118337|13.473741|53.358707| |1.354821|1.488776|1.492764|1.619736|1.781635|1.778615|1.615538|1.580206|2.640351|2.250828|4.307817|3.236814|2.822654|2.770632|3.215497|4.172378|4.361503|3.414500|5.074874|0.114596|5.890998|9.177223|25.991216|0.500000| |1.431633|1.569368|1.546575|1.663057|1.850220|1.893959|1.728843|1.724430|2.870453|2.471445|4.636756|3.673408|3.320511|3.405900|4.198970|5.693684|5.327839|3.936057|7.795583|0.166100|6.860164|7.904175|19.478628|0.264287|36.858105| |1.478230|1.620921|1.581541|1.695438|1.904035|1.978662|1.805907|1.823617|3.054712|2.640610|4.834661|4.063183|3.789565|4.116388|5.504604|7.714389|6.058543|4.334130|12.714347|0.257042|7.706325|6.891734|11.390217|0.167291|14.684086|53.358707| |1.490084|1.617600|1.558413|1.648077|1.843760|1.948566|1.807587|1.860640|3.009538|2.562896|4.611451|3.961112|3.601663|4.052751|5.257798|6.097176|4.822799|3.841622|7.563837|0.205109|5.019161|4.509578|7.105315|0.119462|7.842340|17.587118|36.858105| |1.551492|1.678204|1.612487|1.694954|1.884934|1.997090|1.869173|1.927383|3.044961|2.589705|4.742527|3.880124|3.417757|3.630316|4.260417|4.796963|4.336263|3.677854|5.116820|0.131969|3.860799|3.730977|6.199047|0.111654|6.606626|10.425471|12.537104|36.858105| |1.430751|1.538966|1.494223|1.569482|1.720396|1.793453|1.686288|1.718599|2.675313|2.244752|4.177160|3.266567|2.796161|2.880046|3.296815|3.779702|3.593052|3.073993|4.219680|0.108047|3.524730|3.646290|6.408876|0.122503|6.760024|8.513133|7.579174|12.539508|36.858105| |1.383474|1.501218|1.479499|1.574745|1.725435|1.763845|1.635048|1.634130|2.618876|2.215886|4.196243|3.196223|2.762432|2.777124|3.211842|3.932053|3.888697|3.185458|4.635792|0.111611|4.228855|4.842740|10.009766|0.203053|10.902453|9.527523|6.107285|6.847116|10.417705|388.023441| |1.282958|1.413407|1.425449|1.557419|1.716255|1.698606|1.531729|1.490675|2.532626|2.132652|3.993068|3.109394|2.693425|2.689252|3.133326|3.956661|3.980252|3.173512|4.852154|0.115011|7.439894|12.678079|10.692392|0.211163|5.192285|6.129062|3.354084|2.931882|2.965062|27.636131|36.858105| |1.355168|1.495232|1.483051|1.613630|1.812088|1.838163|1.652056|1.636763|2.834524|2.388356|4.264198|3.701403|3.326542|3.622565|4.592247|5.607600|4.690176|3.667404|7.308490|0.195057|12.635272|7.738300|6.919586|0.116776|4.474461|6.772263|3.824287|3.042446|2.792997|22.689687|6.231822|36.858105| |1.255174|1.376794|1.371871|1.487952|1.651746|1.663289|1.505852|1.488189|2.526267|2.094579|3.754998|3.178168|2.761508|2.952996|3.568371|4.166946|3.687748|3.018549|5.231044|0.143722|8.070313|6.666760|6.143181|0.109224|3.883785|5.555622|3.257182|2.667909|2.530764|20.780370|6.549401|15.874095|73.516695| |1.421574|1.573458|1.551805|1.689260|1.915016|1.960299|1.754153|1.746598|3.071635|2.581608|4.497228|4.116845|3.720845|4.221373|5.370599|5.918997|4.764816|3.900449|6.518571|0.188081|7.851970|5.301098|5.452022|0.094296|3.757063|5.926128|3.591050|2.883494|2.567874|19.878920|4.432613|14.123624|15.120618|53.358707| |1.350953|1.487821|1.470466|1.595433|1.793953|1.829040|1.647048|1.639287|2.837102|2.321875|4.001565|3.649296|3.130526|3.501696|4.092065|4.169950|3.597832|3.171333|4.375097|0.129025|5.030351|3.931719|4.247279|0.076593|2.935642|4.472736|2.861003|2.380424|2.156249|16.461467|3.616780|7.840787|12.345798|17.832679|36.858105| |17.540361|8.798607|5.961023|4.316571|3.947546|4.528571|6.556023|6.324679|4.930472|3.048141|5.230286|3.562879|2.242701|2.029140|1.789293|1.714314|1.839208|2.102061|1.517315|0.040588|1.413574|1.371742|1.915780|0.037970|1.452801|2.040314|1.522417|1.600797|1.476742|10.066807|1.279041|1.344598|2.212421|1.911657|1.327618|0.500000| |17.553152|8.798662|5.846741|4.273272|3.954824|4.588254|6.705796|6.599945|5.034548|2.988371|4.952531|3.556805|2.208801|2.018604|1.767805|1.674320|1.780312|2.035921|1.479960|0.039846|1.385045|1.333741|1.839629|0.036313|1.387905|1.962243|1.458568|1.508285|1.385622|9.496161|1.247363|1.334618|2.198560|1.916299|1.345561|0.302202|0.500000| |17.595972|8.871395|7.381264|4.805982|3.992081|4.187920|5.555804|4.720870|4.452379|2.755019|4.770193|3.224190|2.043397|1.848084|1.642173|1.584433|1.704204|1.937344|1.411312|0.037735|1.333529|1.298479|1.799011|0.035793|1.348485|1.883699|1.389145|1.445067|1.344595|9.302867|1.224145|1.280120|2.119294|1.819921|1.275645|0.302604|0.302407|0.500000| |7.106469|8.943024|17.716114|8.943619|5.667548|4.982681|5.636829|4.083147|4.939496|3.098140|5.572758|3.485031|2.205653|1.942082|1.726553|1.693313|1.862031|2.141370|1.500206|0.039660|1.434836|1.406886|1.943074|0.038819|1.437392|1.990256|1.441468|1.493222|1.396149|9.848865|1.335842|1.376179|2.277990|1.950080|1.363777|0.156484|0.151777|0.229815|0.500000| |4.105262|5.626646|8.913813|17.724480|8.944869|5.662911|4.926382|3.540308|5.689386|3.737968|7.075560|4.045726|2.563589|2.184149|1.938371|1.934200|2.187098|2.561384|1.695219|0.044220|1.643275|1.618518|2.218355|0.044365|1.614643|2.221485|1.573900|1.614914|1.510326|10.894488|1.545542|1.575953|2.599794|2.231541|1.554076|0.100294|0.099035|0.114520|0.215716|0.500000| |3.544110|4.932623|5.654787|8.915909|17.767586|8.933597|5.618866|4.091477|9.823402|6.646491|12.711544|6.351616|3.772732|3.007688|2.565891|2.544497|2.969370|3.724780|2.139800|0.055203|2.052028|1.987459|2.698024|0.053077|1.963481|2.741323|1.920126|1.945759|1.777597|12.864371|1.861110|1.958994|3.164843|2.819209|1.934148|0.089993|0.090181|0.090856|0.124376|0.214606|0.500000| |5.627204|6.165154|4.402423|3.951157|4.433169|6.285082|8.790220|17.493473|8.170011|4.347721|6.472785|5.310763|3.069083|2.807245|2.338813|2.132466|2.244875|2.644829|1.828017|0.049474|1.672395|1.576020|2.159502|0.041931|1.647122|2.383914|1.787087|1.826542|1.627639|11.024976|1.444754|1.611168|2.609352|2.359941|1.644384|0.146088|0.178926|0.120090|0.102634|0.090022|0.103915|0.500000| |7.388868|7.087145|4.704114|3.957254|4.181932|5.624882|8.823261|17.628108|6.708850|3.912516|6.246818|4.641311|2.798831|2.542197|2.170225|2.020903|2.145788|2.500684|1.751836|0.047120|1.600101|1.527294|2.125713|0.041579|1.630833|2.334861|1.762837|1.843777|1.657730|11.135557|1.401156|1.520169|2.471415|2.190597|1.512479|0.229170|0.212124|0.144977|0.111616|0.090169|0.096581|0.303423|0.500000| |4.840096|5.643401|4.216086|3.972639|4.696408|7.060414|8.830709|17.588369|10.167734|5.646261|8.283440|6.633334|3.737017|3.312765|2.706907|2.470066|2.637022|3.182018|2.078213|0.055675|1.866359|1.759872|2.445092|0.047304|1.887933|2.741260|2.071540|2.155674|1.893267|12.672404|1.590486|1.761679|2.824365|2.563900|1.748521|0.138618|0.134247|0.105880|0.097104|0.090465|0.111698|0.301472|0.303560|0.500000| |3.702192|4.715590|4.067518|4.378886|6.003360|9.198636|7.022673|6.946443|26.082635|9.373563|10.833185|10.766188|5.015879|4.177426|3.214321|2.886074|3.134942|3.996633|2.346493|0.062486|2.135056|1.979981|2.674869|0.051243|2.021944|2.960892|2.163209|2.163575|1.891312|13.067018|1.790839|2.054227|3.256706|3.068910|2.105775|0.096645|0.103454|0.087418|0.092191|0.100774|0.154670|0.193899|0.138772|0.215176|0.500000| |2.690120|3.182519|2.899269|3.152712|4.042315|4.978736|4.127830|4.326972|10.797138|9.315266|10.835461|26.072010|9.408572|7.666408|4.930507|4.071046|4.305258|5.756164|3.086359|0.082312|2.696398|2.413897|3.227786|0.060321|2.474870|3.759427|2.747637|2.667343|2.244817|15.416643|2.113012|2.573950|3.957003|3.954852|2.631803|0.073046|0.074726|0.065908|0.069216|0.077536|0.115550|0.119217|0.098660|0.143836|0.251779|0.500000| |2.075748|2.333054|2.167030|2.312720|2.765504|3.150525|2.811629|3.002800|5.602071|4.807511|7.152959|9.996172|8.889895|17.707350|8.956558|5.637602|4.979127|5.636116|4.092860|0.114750|3.320240|2.808857|3.697417|0.067010|2.919810|4.736587|3.557779|3.228185|2.594149|17.470110|2.365165|3.173917|4.722040|5.075846|3.257208|0.057382|0.057910|0.052048|0.053638|0.058970|0.079769|0.083469|0.073658|0.096831|0.122266|0.233985|0.500000| |1.671157|1.843088|1.754823|1.872832|2.161924|2.340116|2.123249|2.212176|3.838410|3.284166|5.444259|5.756308|5.639369|8.978392|17.687974|8.887819|5.659262|4.951349|6.972131|0.227133|4.853440|3.732121|4.773985|0.082576|3.900479|7.070982|5.286100|4.092275|3.181642|21.584082|2.949785|4.532009|6.356091|7.365942|4.236059|0.046529|0.046233|0.042767|0.044383|0.049016|0.063093|0.060781|0.056309|0.069028|0.079903|0.116997|0.218178|0.500000| |1.748096|1.987157|1.980272|2.208241|2.560950|2.584796|2.239653|2.166688|4.056573|3.776342|7.391091|5.680821|5.660979|4.979733|5.664510|8.881351|17.710740|9.038635|6.914888|0.139885|6.456021|6.304237|8.841991|0.150861|6.068320|8.331665|4.563127|4.212411|3.706973|30.799604|4.699550|4.714978|6.766798|6.040539|3.391597|0.048597|0.046738|0.045384|0.050088|0.059372|0.078597|0.057051|0.055299|0.066349|0.077087|0.098583|0.107965|0.123959|0.500000| |2.227759|2.645644|2.639132|3.052164|3.788504|3.830940|3.096268|2.889589|6.333459|6.909594|15.453368|9.552281|8.894503|5.651109|4.962969|5.622807|8.953885|17.840545|4.077740|0.096319|3.715351|3.529524|4.874970|0.091290|3.565637|5.066595|3.313281|3.290727|2.860128|21.419511|3.024098|3.229488|4.876744|4.564646|2.817555|0.061385|0.058877|0.056957|0.064683|0.080157|0.120921|0.074450|0.071411|0.089762|0.112519|0.143626|0.123977|0.107659|0.218629|0.500000| |1.380461|1.486379|1.433515|1.508039|1.671532|1.760578|1.647324|1.699477|2.691193|2.248518|4.023960|3.442286|3.038553|3.428155|4.336698|4.797678|3.874891|3.184640|6.196789|0.185615|4.566875|4.157020|6.368362|0.110079|6.584786|12.410257|17.572966|8.794202|6.936120|39.801594|3.199264|3.644277|5.695562|4.602850|2.759518|0.039160|0.037665|0.035895|0.037044|0.040146|0.048185|0.045628|0.044987|0.052102|0.054104|0.067324|0.086403|0.127465|0.103833|0.077873|0.500000| |1.560312|1.697223|1.622081|1.713197|1.933230|2.069364|1.917233|1.994345|3.250687|2.774630|4.881515|4.424071|4.100201|4.924175|6.746003|7.014162|5.104977|4.159310|7.693291|0.228364|4.824460|4.091466|6.001040|0.101980|5.880638|12.603062|17.688057|8.919000|5.538093|32.844351|3.096742|3.856789|5.719946|5.203848|3.038962|0.044212|0.042635|0.040177|0.041462|0.045135|0.055799|0.053477|0.052146|0.062213|0.065573|0.086270|0.120092|0.197463|0.125224|0.096522|0.302146|0.500000| |1.550150|1.660887|1.581542|1.644834|1.820756|1.949272|1.849928|1.936074|2.963882|2.477205|4.467184|3.709803|3.179322|3.430928|3.902019|4.087963|3.679865|3.276454|4.223119|0.114829|3.269282|3.117296|4.944281|0.091087|4.843897|7.616835|8.944972|17.572985|8.964865|36.356158|2.531478|2.696265|4.252119|3.554830|2.205531|0.044661|0.042027|0.040013|0.040744|0.043331|0.051656|0.051066|0.051820|0.060327|0.059017|0.072132|0.087625|0.107390|0.097207|0.081941|0.211317|0.218221|0.500000| |1.687441|1.842748|1.769300|1.869819|2.098319|2.230240|2.069130|2.123437|3.423888|2.975155|5.529070|4.436744|3.963607|4.051545|4.599415|5.268423|5.083091|4.373165|5.085039|0.125131|3.846106|3.729115|6.196062|0.112179|6.277402|9.556506|8.888308|17.575140|8.827622|44.301404|2.935532|3.020567|4.658666|3.948051|2.386686|0.048440|0.045311|0.043469|0.045224|0.049279|0.060291|0.055322|0.056134|0.066601|0.066748|0.082956|0.097662|0.116170|0.135719|0.108613|0.173281|0.214102|0.302379|0.500000| |1.336315|1.426929|1.384152|1.446488|1.576133|1.643226|1.555934|1.592917|2.441261|2.019560|3.716328|2.945333|2.490101|2.607555|2.990624|3.338641|3.099439|2.680316|3.823208|0.102155|3.264379|3.351043|5.654706|0.109034|5.647140|7.362119|6.745574|8.810942|17.635317|56.766820|2.784764|2.657843|4.353064|3.321324|2.076656|0.038284|0.036106|0.034976|0.036077|0.038728|0.045094|0.042188|0.042842|0.048470|0.048333|0.056965|0.066405|0.082486|0.088001|0.069268|0.201510|0.140301|0.217560|0.173133|0.500000| |1.458193|1.563197|1.518176|1.587875|1.729294|1.800468|1.703711|1.733850|2.655583|2.216201|4.163285|3.162624|2.650504|2.668319|2.948242|3.316982|3.279649|2.909723|3.526216|0.090261|3.032614|3.167409|5.467533|0.108686|5.258497|6.530680|5.509966|8.798994|17.631118|57.518726|2.664889|2.462365|4.001703|3.117426|1.953455|0.042046|0.039045|0.038114|0.039502|0.042452|0.049358|0.045295|0.046782|0.052985|0.051843|0.060242|0.067318|0.078242|0.094413|0.076928|0.140147|0.123801|0.209085|0.215621|0.301345|0.500000| |1.203383|1.315691|1.324130|1.435532|1.569142|1.557838|1.418774|1.387920|2.307588|1.920182|3.575728|2.790131|2.383758|2.409196|2.798175|3.421181|3.354350|2.740321|4.262333|0.105699|6.012783|8.938719|9.297190|0.194877|4.850720|5.667857|3.207334|2.812749|2.921466|27.361094|17.557974|5.289322|10.573801|5.258802|3.268950|0.033404|0.032551|0.031964|0.034626|0.039579|0.046866|0.037424|0.036445|0.041042|0.045523|0.053195|0.059777|0.074828|0.106561|0.072632|0.087707|0.081144|0.068057|0.076512|0.077988|0.072741|0.500000| |1.307025|1.444347|1.466848|1.610567|1.768742|1.733101|1.557979|1.503119|2.561089|2.161924|4.114904|3.094064|2.650981|2.574846|2.918754|3.666192|3.905653|3.183715|4.214820|0.099091|5.765733|8.954032|10.029323|0.226890|4.864890|5.543566|3.106404|2.828143|2.902222|27.514174|17.537898|4.824106|8.674107|5.101072|3.137026|0.036197|0.035125|0.034732|0.038241|0.044651|0.053510|0.040258|0.039290|0.044428|0.049855|0.057891|0.062847|0.075112|0.132949|0.086774|0.081192|0.079576|0.067815|0.080133|0.074692|0.073996|0.300468|0.500000| |1.271329|1.402578|1.417339|1.552766|1.713079|1.690331|1.519770|1.475848|2.524427|2.113085|3.919443|3.093705|2.660839|2.667520|3.080986|3.786782|3.779386|3.085847|4.479715|0.109734|6.912526|8.877590|7.746888|0.149297|4.213147|5.323259|3.019076|2.627609|2.600901|23.000888|17.724953|7.046947|14.481965|6.718000|4.141667|0.035037|0.034439|0.033727|0.036894|0.042887|0.051811|0.039960|0.038405|0.043567|0.049831|0.058741|0.065619|0.081050|0.119684|0.081577|0.080317|0.079692|0.064156|0.073390|0.068371|0.065475|0.302837|0.300099|0.500000| |1.534638|1.711659|1.681900|1.839416|2.113024|2.178280|1.929375|1.921729|3.476932|2.975786|5.135353|4.887599|4.602460|5.346421|7.017512|7.602709|5.881083|4.776364|7.130917|0.195956|7.427894|5.065929|5.463505|0.093945|3.854006|6.223389|3.796420|3.067359|2.663709|20.314269|4.099982|9.424987|10.948433|26.075168|9.051584|0.042086|0.042193|0.039885|0.042830|0.049283|0.063768|0.052909|0.048800|0.058012|0.070885|0.095025|0.126131|0.184636|0.142653|0.109677|0.096043|0.115530|0.077017|0.087562|0.069263|0.066266|0.097979|0.100025|0.122457|0.500000| |1.261265|1.377942|1.360468|1.465507|1.632100|1.665191|1.515614|1.515449|2.556003|2.071453|3.583984|3.216034|2.723539|3.049176|3.573121|3.646103|3.134811|2.759108|4.021944|0.122354|4.637097|3.723056|4.054901|0.073681|2.817814|4.265208|2.764254|2.290385|2.100541|16.010014|3.492370|7.129027|12.897590|12.459531|17.651717|0.034528|0.034931|0.033170|0.035228|0.039717|0.048502|0.042240|0.039118|0.044791|0.052738|0.064756|0.079937|0.105571|0.083378|0.068802|0.075920|0.080621|0.059289|0.062779|0.056969|0.052691|0.090805|0.083056|0.110490|0.180925|0.500000| |1.340056|1.480564|1.475818|1.611321|1.806618|1.818537|1.629487|1.604064|2.795738|2.279894|3.961687|3.516804|2.963737|3.182349|3.574879|3.725448|3.402987|3.055124|3.822785|0.107652|4.545057|3.768009|4.060527|0.074596|2.739535|4.043598|2.570617|2.192460|2.014823|15.587326|3.653656|6.761631|11.618626|12.280951|17.580273|0.036432|0.037001|0.035289|0.038098|0.043903|0.054513|0.044673|0.041083|0.047188|0.057323|0.069924|0.082041|0.099176|0.091225|0.077191|0.068565|0.074730|0.056326|0.061607|0.053700|0.051212|0.090686|0.089389|0.120506|0.198843|0.301340|0.500000| 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