Version2.1 2020-12-27T06:44:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c2ccccc2[nH]1)[C@H](c3ccc4c(c3)OCO4)N5CC[NH+](CC5)Cc6ccccc6 C19864040 RHF 6-31G(d) (6D,7F) Cc1c(c2ccccc2[nH]1)[C@H](c3ccc4c(c3)OCO4)N5CC[NH+](CC5)Cc6ccccc6 C01[X(C28H30N3O2)] 183 C1 555 Cc1[nH]c2c(c1[C@H](c1ccc3c(c1)OCO3)N1CC[NH+](CC1)Cc1ccccc1)cccc2 Cc1[nH]c2c(c1[C@H](c1ccc3c(c1)OCO3)N1CC[NH+](CC1)Cc1ccccc1)cccc2 Cc1[nH]c2ccccc2c1[C@@H](N3CC[NH+](CC3)Cc4ccccc4)c5ccc6OCOc6c5 InChIKey=ZQDQTBRVRBLLEB-NDEPHWFRSA-O InChI=1S/C28H29N3O2/c1-20-27(23-9-5-6-10-24(23)29-20)28(22-11-12-25-26(17-22)33-19-32-25)31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17,28-29H,13-16,18-19H2,1H3/p+1/t28-/m0/s1 InChI=1/C28H29N3O2/c1-20-27(23-9-5-6-10-24(23)29-20)28(22-11-12-25-26(17-22)33-19-32-25)31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17,28-29H,13-16,18-19H2,1H3/p+1/t28-/m0/s1/fC28H30N3O2/h30H/q+1 Cc1c(c2ccccc2[nH]1)[C@H](c3ccc4c(c3)OCO4)N5CC[NH+](CC5)Cc6ccccc6 C01[X(C28H30N3O2)] 183 C01 555 Cc1[nH]c2c(c1[C@H](c1ccc3c(c1)OCO3)N1CC[NH+](CC1)Cc1ccccc1)cccc2 CC1=[C]([C]2[C]([CH][CH][CH][CH]2)N1)[C@H]([C]1[CH][CH][C]2[C]([CH]1)OCO2)N1CC[NH](CC1)C[C]1[CH][CH][CH][CH][CH]1 CC1=C([C]2[CH][CH][CH][CH][C]2N1)[C@H]([C]3[CH][CH][C]4OCO[C]4[CH]3)N5CC[NH](CC5)C[C]6[CH][CH][CH][CH][CH]6 InChIKey=HOJBHMLTOVTZIS-NDEPHWFRSA-N InChI=1S/C28H30N3O2/c1-20-27(23-9-5-6-10-24(23)29-20)28(22-11-12-25-26(17-22)33-19-32-25)31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17,28-30H,13-16,18-19H2,1H3/t28-/m0/s1 InChI=1/C28H30N3O2/c1-20-27(23-9-5-6-10-24(23)29-20)28(22-11-12-25-26(17-22)33-19-32-25)31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17,28-30H,13-16,18-19H2,1H3/t28-/m0/s1 3280.7935991779 -1390.6403328 1-A 18279.0803 117 438 555 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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| 15.3112 21.0486 27.1703 35.4457 43.9185 48.3332 63.8816 65.0037 76.7328 83.2215 97.9102 127.4775 136.7125 168.7504 183.7781 192.7038 199.4205 214.5975 242.8309 266.4757 275.4516 296.9777 322.5533 335.6252 360.5396 372.5743 379.3290 410.4580 427.1763 440.8144 454.3838 460.1569 474.8807 485.7420 491.5497 495.8021 525.1614 527.5805 549.8249 583.0265 615.0764 639.7190 643.9523 652.1652 669.9486 678.8012 699.9305 712.9446 730.0050 749.2807 776.6162 796.2386 803.7946 828.7254 837.3509 848.9424 852.8224 861.3977 885.0043 894.9204 905.1158 914.8291 928.6090 944.5258 952.9280 959.9031 972.6942 991.2269 997.8537 1009.2310 1033.8518 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22.03 30.28 39.09 51.00 63.19 69.54 91.91 93.53 110.40 119.74 140.87 183.41 196.70 242.79 264.42 277.26 286.92 308.76 349.38 383.40 396.31 427.28 464.08 482.89 518.74 536.05 545.77 590.56 614.61 634.23 653.76 662.06 683.25 698.87 707.23 713.35 755.59 759.07 791.08 838.85 884.96 920.41 926.50 938.32 963.91 976.64 1007.04 1025.77 1050.31 1078.05 1117.38 1145.61 1156.48 1192.35 1204.76 1221.44 1227.02 1239.36 1273.32 1287.59 1302.26 1316.24 1336.06 1358.96 1371.05 1381.09 1399.49 1426.15 1435.69 1452.06 1487.48 1502.12 1518.69 1534.07 1538.63 1547.16 1566.49 1569.48 1594.85 1598.89 1599.92 1613.68 1617.82 1624.36 1650.16 1651.65 1663.29 1671.42 1680.98 1694.58 1712.36 1721.70 1742.53 1755.75 1757.36 1783.08 1794.78 1805.11 1813.47 1819.96 1859.82 1875.11 1878.42 1895.89 1902.78 1910.21 1929.56 1935.96 1937.68 1966.58 1979.47 2001.01 2024.15 2038.43 2055.64 2082.02 2107.00 2121.15 2136.13 2136.86 2145.54 2162.59 2168.66 2178.21 2215.91 2243.51 2260.44 2270.89 2278.17 2283.75 2297.16 2299.44 2324.94 2336.37 2337.83 2342.42 2343.71 2354.83 2362.44 2365.98 2377.92 2389.27 2394.28 2405.36 2417.88 2464.32 2521.71 2564.40 2569.90 2599.26 2607.81 2623.23 2624.20 4468.62 4483.69 4544.92 4620.11 4695.93 4696.17 4704.89 4716.57 4726.73 4765.48 4793.80 4797.43 4802.93 4805.46 4807.96 4818.90 4826.49 4834.52 4836.12 4848.42 4866.42 4869.10 4872.85 4882.78 4884.33 4891.61 4898.66 4919.81 5303.97 5616.63 0.575653 0.601786 0.602730 0.515608 -1390.064679 -1390.038547 -1390.037603 -1390.124725 2.922086D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE Cc1c(c2ccccc2[nH]1)[C@H](c3ccc4c(c3)OCO4)N5CC[NH+](CC5)Cc6ccccc6 C19864040 RHF 6-31G(d) (6D,10F) C1 440.233802 |X|Y|Z| 105.992903 74.716611 38.235308 67.151056 32 6 7 8 27 3 2 |36.858105| |12.715232|36.858105| |7.309926|14.017953|36.858105| |5.093892|8.442595|13.097381|36.858105| |3.726010|5.224523|7.214389|13.587456|36.858105| |3.133487|4.157998|4.983457|7.942017|13.844257|36.858105| |3.170138|4.172379|4.527540|6.834514|7.877280|13.587943|36.858105| |3.855442|5.285706|5.249343|7.774392|6.761611|7.886257|13.855858|36.858105| |5.222251|8.498261|8.326889|13.611904|7.920732|6.949592|8.045415|13.680495|36.858105| |7.707914|13.907819|8.550092|8.529537|5.369757|4.655200|5.165321|7.618322|13.911875|53.358707| |7.037788|9.066842|5.992120|5.965372|4.280522|3.947736|4.557398|6.689851|9.041893|26.093198|0.500000| |5.904737|7.468271|12.587645|7.135477|5.618512|4.015793|3.507339|3.769319|5.058713|7.027709|0.115279|36.858105| |6.736088|7.155256|9.013930|5.475846|4.368705|3.351043|3.044779|3.330411|4.364898|6.523471|0.111345|17.478279|0.500000| |4.862551|5.573903|7.520539|5.491327|4.758137|3.590775|3.146750|3.310946|4.196458|5.773958|0.099125|12.464382|0.250921|36.858105| |3.903502|4.633002|6.101316|5.411185|5.175465|3.946912|3.357753|3.399186|4.128478|5.313281|0.092129|7.475714|0.155997|13.748942|36.858105| |3.248802|3.619317|4.300227|3.973871|3.903155|3.240099|2.846271|2.860009|3.304851|4.330790|0.078199|4.956806|0.116517|7.828164|13.622237|36.858105| |3.187538|3.335286|3.764448|3.329446|3.165609|2.683601|2.428791|2.489255|2.873148|3.926680|0.072398|4.448708|0.112762|6.917237|8.072989|13.935479|36.858105| |3.648885|3.638299|4.034343|3.346229|3.060914|2.561935|2.344289|2.453016|2.894575|4.100628|0.075627|5.057151|0.136729|8.027580|6.985034|7.948184|13.809013|36.858105| |4.596330|4.599800|5.296531|4.024722|3.533826|2.849718|2.588835|2.748005|3.366923|4.852178|0.087246|7.558166|0.211085|13.563981|7.897759|6.757085|7.929313|13.933757|36.858105| |3.154813|3.021894|3.206917|2.726691|2.516591|2.170213|2.020226|2.114928|2.440967|3.494399|0.066077|3.833390|0.108429|5.182756|4.687292|5.405602|8.550611|14.077451|7.766230|73.516695| |2.695330|2.640627|2.793461|2.478536|2.339145|2.060459|1.924656|1.992495|2.248590|3.164035|0.060378|3.191066|0.087402|4.206008|4.222879|5.357673|8.605255|8.603827|5.358875|23.983039|36.858105| |2.683948|2.740925|2.984799|2.711773|2.612855|2.293474|2.110286|2.153341|2.419892|3.319510|0.062591|3.393282|0.088933|4.658512|5.196115|7.749975|14.079112|8.553883|5.402126|14.923345|13.510846|73.516695| |4.236009|5.184029|7.744816|6.206164|5.851138|4.150457|3.441195|3.487684|4.370460|5.624412|0.095120|12.871836|0.252911|7.651723|6.072556|4.293235|3.783342|4.084785|5.414747|5.775560|2.790609|5.333910|53.358707| |4.090538|4.931510|6.574135|5.669521|5.304411|4.008126|3.424361|3.496931|4.298798|5.573037|0.095638|7.813005|0.198672|5.025957|4.226049|3.257107|2.958147|3.192828|4.036425|4.763716|2.334361|4.364742|17.907925|36.858105| |3.099443|3.631318|4.535293|4.453509|4.724516|3.834557|3.205011|3.105097|3.545889|4.431006|0.078548|5.056296|0.128707|3.871752|3.538518|2.859995|2.584258|2.702906|3.224763|4.129603|2.076154|3.912296|10.648505|12.543176|36.858105| |2.712748|3.038248|3.697620|3.522123|3.735339|3.119440|2.640760|2.554257|2.874198|3.676744|0.066424|4.414389|0.115795|3.680325|3.378982|2.823467|2.600530|2.727839|3.194167|4.221621|2.120129|3.979994|9.002142|7.674533|12.697160|53.358707| |2.727581|2.963463|3.504530|3.226166|3.285542|2.773441|2.414001|2.382471|2.695556|3.543637|0.064636|4.231334|0.117233|3.516465|3.130995|2.652181|2.505972|2.688085|3.167422|4.222516|2.096451|3.865076|8.069710|7.123236|9.325397|25.692797|0.500000| |2.782512|3.120293|3.908242|3.647667|3.896743|3.164948|2.637279|2.547212|2.899406|3.707720|0.066519|5.036660|0.126848|4.502859|4.181098|3.460460|3.152686|3.281242|3.840592|4.957812|2.476514|4.729339|10.660085|6.686901|7.739097|17.269515|0.259935|36.858105| |3.453871|3.864967|5.041031|4.267206|4.232153|3.281015|2.774070|2.770857|3.296554|4.337323|0.076530|7.738296|0.192263|6.604107|5.399836|4.183698|3.858578|4.230238|5.410368|6.104624|2.919127|5.529300|17.917076|8.062046|6.679927|10.437255|0.198246|12.535389|36.858105| |2.249947|2.495439|2.934797|2.914766|3.181096|2.809040|2.398078|2.273079|2.465741|3.125859|0.057481|3.311059|0.087153|2.911382|2.788185|2.421897|2.235487|2.295377|2.585940|3.630779|1.865599|3.508737|6.050889|4.961744|7.624992|17.158204|0.259005|7.562631|4.943470|36.858105| |2.013447|2.172994|2.497315|2.434192|2.600556|2.328175|2.030737|1.944879|2.101458|2.714518|0.050550|2.849906|0.076841|2.606909|2.493883|2.234692|2.110699|2.176114|2.403241|3.514888|1.812384|3.373561|4.923041|3.827834|4.977772|10.344071|0.204019|6.142478|4.265406|12.646188|36.858105| |1.940409|2.050762|2.303384|2.210284|2.299794|2.073038|1.848663|1.797769|1.944701|2.557246|0.048078|2.611970|0.072501|2.376835|2.232005|2.015815|1.939893|2.031016|2.244452|3.333193|1.709467|3.128886|4.349931|3.471080|4.262446|8.043256|0.184821|4.755872|3.711491|7.596294|13.685939|36.858105| |1.749480|1.822950|2.018948|1.932035|1.997871|1.819021|1.639464|1.599668|1.721088|2.280512|0.043236|2.281568|0.063786|2.131601|2.013503|1.857329|1.812208|1.895489|2.056711|3.165229|1.634645|2.969036|3.665088|2.833112|3.286286|5.800032|0.130535|3.810687|3.134430|5.034303|7.910267|13.770174|36.858105| |1.644280|1.717718|1.907686|1.838363|1.919493|1.756358|1.576999|1.528610|1.636021|2.157021|0.040918|2.157500|0.059622|2.067322|1.986815|1.861628|1.817408|1.877274|2.001320|3.149502|1.645372|3.005432|3.435472|2.565798|2.938613|5.129121|0.109660|3.625186|2.964732|4.445413|6.855023|7.943945|13.734035|36.858105| |1.685703|1.785119|2.010368|1.958435|2.081223|1.901313|1.683735|1.614222|1.723930|2.246083|0.042360|2.281599|0.061854|2.209103|2.160718|2.026200|1.952072|1.986408|2.107424|3.295782|1.733745|3.214950|3.689959|2.695461|3.139508|5.586742|0.113058|4.126464|3.216874|5.023100|7.915867|6.876447|7.932955|13.754767|36.858105| |1.855555|1.998532|2.292214|2.251363|2.430922|2.198283|1.913521|1.819216|1.949747|2.510251|0.046904|2.614214|0.069758|2.487848|2.439743|2.238872|2.116017|2.145750|2.312758|3.489211|1.824988|3.423069|4.395967|3.229384|3.958992|7.510765|0.143292|5.426104|3.855530|7.562188|13.714284|7.935757|6.870170|7.938552|13.746360|36.858105| |17.544133|8.907097|5.930749|4.475034|3.393726|2.918212|2.980632|3.603785|4.682339|9.018279|0.180053|5.022289|0.152145|4.650570|3.859643|3.337797|3.341883|3.818408|4.604528|5.953804|2.885152|5.056307|4.991383|3.425545|2.702120|3.296702|0.067342|2.528359|3.102069|2.043386|1.852025|1.782436|1.625272|1.542672|1.584988|1.730683|0.500000| |17.551689|8.908271|5.665793|4.407343|3.338500|2.907938|3.016090|3.702958|4.785300|9.629902|0.201852|4.644456|0.145657|3.845593|3.219504|2.746756|2.698237|3.034839|3.676036|4.810596|2.353653|4.145530|4.964843|3.725988|2.906221|3.444171|0.071220|2.527051|3.033210|2.132238|1.912377|1.863103|1.682766|1.572300|1.599582|1.752974|0.301515|0.500000| |17.623494|8.866436|6.767497|4.568605|3.496574|2.902013|2.848253|3.318036|4.344377|7.697136|0.141680|6.564277|0.242037|5.293731|3.988003|3.314481|3.337221|3.996164|5.292662|6.153270|2.856006|4.965880|6.277938|4.407048|3.262149|3.968166|0.082936|3.012271|3.861451|2.375383|2.143583|2.080283|1.875902|1.754952|1.789843|1.965989|0.302436|0.302161|0.500000| |3.414053|4.527915|6.394208|8.839058|17.741343|8.950524|5.618699|4.895877|5.625630|5.908343|0.099065|5.899397|0.124327|5.129748|5.753486|4.238827|3.370874|3.229204|3.727004|4.672382|2.438085|4.897042|9.442313|5.798929|5.415203|5.948688|0.103034|4.769461|5.045721|3.665090|2.945738|2.539096|2.187201|2.114634|2.329038|2.770674|0.086758|0.084476|0.092407|0.500000| |2.682674|3.398511|4.017492|5.643690|8.961767|17.715594|8.888967|5.637681|4.991695|5.018683|0.089747|3.476909|0.081849|3.203925|3.580882|3.038315|2.519695|2.376306|2.593839|3.616618|1.953087|3.884797|5.069615|3.597877|3.642786|4.149109|0.074474|3.095801|3.083335|2.839719|2.355165|2.073365|1.823088|1.775149|1.940387|2.251802|0.070087|0.069656|0.070284|0.216091|0.500000| |2.724080|3.413577|3.607855|4.932751|5.631213|8.877664|17.724635|8.974693|5.688900|5.635851|0.106773|2.930614|0.072194|2.687694|2.875758|2.517876|2.175710|2.089986|2.268886|3.251782|1.761011|3.422615|3.958132|2.917372|2.809910|3.219962|0.060351|2.348921|2.425237|2.200563|1.883908|1.721568|1.537539|1.484610|1.583490|1.787329|0.072088|0.073119|0.068588|0.124053|0.215473|0.500000| |3.606831|4.616665|4.292410|5.564521|4.893730|5.608548|8.904575|17.714868|8.837930|9.168492|0.189425|3.217307|0.081559|2.879313|2.926078|2.537385|2.256954|2.234519|2.470768|3.486527|1.858108|3.531099|4.032767|3.002771|2.694669|3.075016|0.059284|2.239950|2.424532|2.036044|1.766769|1.651051|1.481180|1.415323|1.484698|1.656516|0.095477|0.099508|0.085449|0.106549|0.123843|0.214899|0.500000| |3.705842|4.654046|6.404140|6.516421|6.862998|4.960549|3.985228|3.890408|4.676575|5.605980|0.095655|6.928549|0.140248|8.937598|17.767006|8.949948|5.724808|5.014136|5.629194|6.596074|3.450842|7.420076|8.495499|4.431262|3.804249|4.782365|0.088036|4.265718|5.169315|2.928905|2.555374|2.255409|2.013654|1.984713|2.176057|2.492896|0.099869|0.086729|0.102106|0.221712|0.123970|0.092937|0.090276|0.500000| |2.836368|3.179003|3.709554|3.638719|3.732562|3.222734|2.825620|2.773829|3.094839|3.962938|0.072415|4.045011|0.096154|5.589216|8.809718|17.746510|8.931605|5.645441|4.893781|7.767353|4.649379|12.156318|5.018238|2.905449|2.635904|3.542427|0.067353|3.143413|3.591339|2.292531|2.120494|1.903278|1.761973|1.781136|1.952021|2.151113|0.081057|0.068108|0.079008|0.112388|0.085865|0.070450|0.068664|0.214338|0.500000| |4.928396|4.554366|4.959249|3.693343|3.197024|2.615639|2.414765|2.593322|3.175175|4.719098|0.086099|6.970927|0.233698|8.770457|5.608023|4.892721|5.647679|8.968991|17.728598|12.264315|4.670449|7.786155|6.939920|4.046720|3.184987|4.308191|0.089792|3.679488|5.175378|2.548647|2.389646|2.278042|2.093044|2.012095|2.083891|2.268132|0.134406|0.110070|0.170791|0.092375|0.066128|0.059122|0.065566|0.123395|0.106538|0.500000| |2.681627|2.590038|2.669182|2.382659|2.226556|1.984977|1.883039|1.967226|2.208427|3.141413|0.060693|2.946244|0.081193|3.760702|3.773953|4.647297|6.689625|6.689942|4.648019|16.547629|17.607647|16.553738|3.468149|2.171466|1.928402|2.644392|0.053431|2.224305|2.599445|1.719615|1.663764|1.577892|1.509031|1.512372|1.585127|1.666515|0.081537|0.065402|0.077756|0.063405|0.052066|0.048057|0.051459|0.087819|0.115656|0.116100|0.500000| |2.378901|2.329926|2.466877|2.214978|2.119203|1.884438|1.758445|1.805878|2.015120|2.818385|0.054039|2.819921|0.077780|3.572280|3.583479|4.407884|6.311773|6.311622|4.410807|16.574178|17.680943|16.581867|3.465432|2.160160|1.953749|2.755742|0.055851|2.361605|2.722043|1.802542|1.776387|1.682433|1.626485|1.650343|1.736010|1.805682|0.069779|0.058640|0.070269|0.061729|0.050104|0.045026|0.046950|0.083801|0.110749|0.111302|0.297026|0.500000| |4.174887|4.639052|5.601012|4.585278|4.144009|3.305112|2.946911|3.077059|3.745081|5.143138|0.090756|6.818763|0.206075|4.581723|3.722871|2.973485|2.801863|3.114232|3.962989|4.751787|2.294810|4.191366|12.242003|17.380687|8.858334|9.359806|0.208258|5.841399|7.215317|4.578865|3.741026|3.572667|2.932452|2.600975|2.659264|3.111475|0.095851|0.107675|0.130901|0.121697|0.083232|0.071108|0.075556|0.103886|0.073304|0.116326|0.059426|0.059329|0.500000| |4.516612|5.841245|7.741627|7.051260|6.152227|4.607795|4.011173|4.202478|5.337613|6.779445|0.113319|7.280789|0.182053|4.674620|4.037313|3.117133|2.806049|2.992685|3.732403|4.484320|2.222866|4.162411|12.453508|17.667998|9.030334|7.634817|0.145195|4.980802|5.758983|4.140153|3.249042|2.985650|2.486037|2.267399|2.372900|2.797202|0.102516|0.116208|0.128563|0.169996|0.110226|0.092707|0.098430|0.120728|0.078119|0.103363|0.058278|0.056780|0.302347|0.500000| |2.902270|3.325571|3.925622|3.895032|4.045264|3.471278|3.012944|2.940472|3.281956|4.157861|0.075163|4.155714|0.110550|3.252235|2.980487|2.475021|2.271145|2.382108|2.801632|3.712660|1.876686|3.497828|7.669960|8.807848|17.618461|12.368741|0.225781|5.633511|4.995955|7.094997|4.769313|4.326637|3.300675|2.874737|2.990411|3.691692|0.070148|0.077706|0.084272|0.121681|0.092076|0.074647|0.072206|0.088184|0.063953|0.078181|0.048856|0.049308|0.214952|0.213968|0.500000| |2.932151|3.529072|4.475050|4.774697|5.580154|4.541488|3.605940|3.348446|3.729376|4.451950|0.078556|4.744088|0.115051|3.786431|3.649620|2.944036|2.591660|2.636695|3.082164|4.005496|2.047690|3.923649|9.605312|8.848882|17.633816|12.406812|0.181860|7.005208|5.842814|7.068858|4.596489|3.789959|3.000418|2.767324|3.034058|3.860919|0.072130|0.076090|0.083597|0.187234|0.122899|0.087493|0.079362|0.113726|0.076757|0.082336|0.052931|0.053427|0.173382|0.216485|0.300003|0.500000| |2.489763|2.711508|3.270967|3.046012|3.216220|2.704305|2.302336|2.230747|2.503251|3.247743|0.059199|4.135559|0.108480|3.918540|3.672186|3.201331|3.005967|3.134515|3.547874|4.869401|2.445332|4.622234|7.675563|4.997815|5.635638|12.366283|0.226509|17.656550|8.801223|7.020002|6.991380|5.338029|4.401118|4.313769|5.038538|6.628590|0.063737|0.063286|0.075234|0.105975|0.074265|0.057825|0.055308|0.101295|0.081488|0.095551|0.060582|0.065947|0.131184|0.109475|0.126905|0.143302|0.500000| |2.656927|3.049826|3.865189|3.808756|4.325535|3.517506|2.838128|2.668097|2.988674|3.711192|0.066370|4.738543|0.113888|4.396625|4.399734|3.639739|3.188521|3.185133|3.627224|4.774139|2.442199|4.779926|9.652198|5.871255|7.034928|12.431139|0.182375|17.627272|8.856392|7.019414|5.489234|4.131239|3.392508|3.332290|3.922390|5.226803|0.067792|0.066969|0.078023|0.155487|0.097880|0.070243|0.064546|0.130994|0.094174|0.093481|0.061091|0.064502|0.134776|0.130954|0.143562|0.210209|0.299693|0.500000| |3.308671|3.659784|4.706015|4.021354|4.018443|3.151008|2.669209|2.657957|3.138099|4.133503|0.073399|7.164066|0.173268|7.751092|6.541445|5.136272|4.737977|5.142135|6.425704|7.144932|3.397609|6.580759|12.452125|5.757561|4.978793|7.635990|0.145518|9.043197|17.665366|4.125612|3.744082|3.264110|2.865890|2.799666|3.077132|3.591568|0.085169|0.079674|0.102011|0.133403|0.082880|0.065163|0.064864|0.162341|0.118719|0.158300|0.081877|0.087630|0.145728|0.127824|0.109451|0.130470|0.214278|0.216736|0.500000| |3.483848|3.693450|4.529335|3.719001|3.550686|2.847101|2.488258|2.532429|3.006143|4.097205|0.073489|6.758324|0.198391|5.733788|4.485465|3.660053|3.567297|4.103268|5.306589|6.150178|2.870691|5.239511|12.218318|7.194464|5.827786|9.341950|0.208392|8.850620|17.385023|4.561671|4.162109|3.845873|3.284473|3.038255|3.179205|3.684427|0.086367|0.085873|0.112239|0.111523|0.074137|0.061038|0.062646|0.115800|0.087318|0.154137|0.071224|0.075049|0.215956|0.145515|0.131045|0.134194|0.214565|0.173393|0.302564|0.500000| |2.205661|2.441373|2.818264|2.826520|3.056263|2.754005|2.390111|2.271395|2.440096|3.098205|0.057346|3.075497|0.081989|2.658526|2.532910|2.203559|2.042001|2.104108|2.372954|3.351317|1.724790|3.222422|5.442141|4.758595|7.425260|12.430431|0.219390|5.596066|4.172924|17.619887|8.870508|7.041373|4.702250|3.987118|4.244443|5.730816|0.055337|0.058906|0.064236|0.094869|0.077116|0.061306|0.056881|0.074152|0.058101|0.065596|0.044577|0.046210|0.124494|0.114922|0.229966|0.187550|0.142671|0.146301|0.097274|0.110155|0.500000| |2.185505|2.461354|2.922630|2.994723|3.398962|3.036729|2.536438|2.350767|2.516040|3.125723|0.057325|3.241265|0.083030|2.907971|2.877617|2.506034|2.270790|2.283689|2.540905|3.589576|1.867624|3.563461|5.888816|4.592424|6.851715|12.397531|0.182301|7.121100|4.665347|17.633644|8.816188|5.604359|4.182184|3.964350|4.726054|7.174554|0.055581|0.057266|0.063266|0.111382|0.087397|0.064887|0.058105|0.085801|0.066844|0.068251|0.047823|0.050044|0.112481|0.110122|0.168883|0.208368|0.178309|0.218646|0.112555|0.113871|0.301864|0.500000| |2.020280|2.127059|2.368740|2.261905|2.323707|2.094628|1.884347|1.847223|2.003849|2.651769|0.049947|2.658297|0.074739|2.363641|2.190889|1.960818|1.889127|1.994728|2.229666|3.271441|1.668024|3.036210|4.405863|3.677741|4.522226|8.056486|0.197595|4.444450|3.637651|7.029528|8.870208|17.674324|8.944988|5.651821|4.950948|5.634871|0.051096|0.054363|0.060260|0.070318|0.057673|0.048660|0.047242|0.061559|0.051197|0.063545|0.043028|0.045351|0.108108|0.088303|0.134786|0.107854|0.130306|0.106414|0.087082|0.106699|0.207724|0.141781|0.500000| |1.684201|1.735038|1.895641|1.805324|1.845716|1.688901|1.539693|1.513355|1.626407|2.174045|0.041480|2.124716|0.060132|1.982223|1.860597|1.723366|1.695577|1.784805|1.933841|3.008878|1.552400|2.793859|3.342733|2.606172|2.946492|4.965599|0.113645|3.263137|2.808594|4.105442|5.635357|8.929751|17.733216|8.905890|5.643758|4.951837|0.043503|0.045323|0.050231|0.055438|0.046791|0.040219|0.039177|0.051450|0.045363|0.055198|0.040016|0.042980|0.076204|0.064325|0.083637|0.074365|0.101870|0.080909|0.071589|0.083107|0.111325|0.096337|0.216232|0.500000| |1.526726|1.581984|1.739434|1.674799|1.739133|1.602085|1.450570|1.410457|1.504172|1.993015|0.038020|1.954487|0.054273|1.892994|1.823892|1.729806|1.703590|1.758555|1.854442|2.986014|1.569298|2.849044|3.046802|2.260538|2.528622|4.253825|0.090968|3.061227|2.599576|3.554348|4.943806|5.650846|8.915392|17.732045|8.920984|5.647587|0.040032|0.040661|0.045204|0.052780|0.044958|0.038098|0.036480|0.050356|0.046129|0.051912|0.040171|0.044022|0.063928|0.056172|0.068970|0.066556|0.099426|0.079049|0.069269|0.074405|0.090743|0.090287|0.124346|0.214836|0.500000| |1.586870|1.678516|1.883486|1.844354|1.966730|1.810564|1.606548|1.535616|1.630930|2.122153|0.040139|2.125341|0.057346|2.096918|2.080283|1.982945|1.914077|1.926155|2.010973|3.216932|1.712621|3.187666|3.377375|2.423035|2.764273|4.732974|0.094458|3.630909|2.916850|4.095143|5.639565|4.955115|5.643148|8.913587|17.733537|8.925773|0.041775|0.041763|0.046599|0.061033|0.051607|0.042167|0.039332|0.058118|0.053572|0.054831|0.043458|0.047959|0.065951|0.059984|0.072736|0.075564|0.121154|0.098866|0.079597|0.079299|0.097894|0.112372|0.107514|0.124087|0.214940|0.500000| 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