Version2.0 2020-01-31T12:57:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](CCc1ccccn1)[C@H]2[C@H](O[C@H]([C@H]2O)CO)C[NH+](Cc3ccc(cc3)F)Cc4ccc(cc4)F C20464719 RHF 6-31G(d) (6D,7F) C[NH+](CCc1ccccn1)[C@H]2[C@H](O[C@H]([C@H]2O)CO)C[NH+](Cc3ccc(cc3)F)Cc4ccc(cc4)F C01[X(C28H35F2N3O3)] 207 C1 610 OC[C@@H]1O[C@@H]([C@@H]([C@@H]1O)[NH+](CCc1ccccn1)C)C[NH+](Cc1ccc(cc1)F)Cc1ccc(cc1)F OC[C@@H]1O[C@@H]([C@@H]([C@@H]1O)[NH+](CCc1ccccn1)C)C[NH+](Cc1ccc(cc1)F)Cc1ccc(cc1)F C[NH+](CCc1ccccn1)[C@@H]2[C@H](O)[C@H](CO)O[C@@H]2C[NH+](Cc3ccc(F)cc3)Cc4ccc(F)cc4 InChIKey=ARDFLTNFCDYTIN-WXIAYYLYSA-P InChI=1S/C28H33F2N3O3/c1-32(15-13-24-4-2-3-14-31-24)27-25(36-26(19-34)28(27)35)18-33(16-20-5-9-22(29)10-6-20)17-21-7-11-23(30)12-8-21/h2-12,14,25-28,34-35H,13,15-19H2,1H3/p+2/t25-,26+,27+,28-/m1/s1 InChI=1/C28H33F2N3O3/c1-32(15-13-24-4-2-3-14-31-24)27-25(36-26(19-34)28(27)35)18-33(16-20-5-9-22(29)10-6-20)17-21-7-11-23(30)12-8-21/h2-12,14,25-28,34-35H,13,15-19H2,1H3/p+2/t25-,26+,27+,28-/m1/s1/fC28H35F2N3O3/h32-33H/q+2 C[NH+](CCc1ccccn1)[C@H]2[C@H](O[C@H]([C@H]2O)CO)C[NH+](Cc3ccc(cc3)F)Cc4ccc(cc4)F C01[X(C28H35F2N3O3)] 207 C01 610 OC[C@@H]1O[C@@H]([C@@H]([C@@H]1O)[NH+](CCc1ccccn1)C)C[NH+](Cc1ccc(cc1)F)Cc1ccc(cc1)F OC[C@@H]1O[C@@H]([C@@H]([C@@H]1O)[NH](CCc1ccccn1)C)C[NH](Cc1ccc(cc1)F)Cc1ccc(cc1)F C[NH](CCc1ccccn1)[C@@H]2[C@H](O)[C@H](CO)O[C@@H]2C[NH](Cc3ccc(F)cc3)Cc4ccc(F)cc4 InChIKey=VOIFCRJLKOFWLU-WXIAYYLYSA-N InChI=1S/C28H35F2N3O3/c1-32(15-13-24-4-2-3-14-31-24)27-25(36-26(19-34)28(27)35)18-33(16-20-5-9-22(29)10-6-20)17-21-7-11-23(30)12-8-21/h2-12,14,25-28,32-35H,13,15-19H2,1H3/t25-,26+,27+,28-/m1/s1 InChI=1/C28H35F2N3O3/c1-32(15-13-24-4-2-3-14-31-24)27-25(36-26(19-34)28(27)35)18-33(16-20-5-9-22(29)10-6-20)17-21-7-11-23(30)12-8-21/h2-12,14,25-28,32-35H,13,15-19H2,1H3/t25-,26+,27+,28-/m1/s1 4077.5420222182 -1666.9697877 1-A 19092.3928 132 478 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.48323 -26.47054 -20.81840 -20.81438 -20.75846 -15.94247 -15.92008 -15.75673 -11.55684 -11.55295 -11.54330 -11.53776 -11.51423 -11.51339 -11.51198 -11.51154 -11.51131 -11.50551 -11.50052 -11.48465 -11.47129 -11.46045 -11.45490 -11.45031 -11.44566 -11.44506 -11.43657 -11.43200 -11.43024 -11.43001 -11.42615 -11.42516 -11.41934 -11.41190 -11.41176 -11.41058 -1.80565 -1.79297 -1.66575 -1.62573 -1.57198 -1.56696 -1.55566 -1.45945 -1.36742 -1.35435 -1.32724 -1.30348 -1.28789 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0.70643 0.71253 0.71562 0.71776 0.71952 0.72748 0.73191 0.73432 0.74590 0.75077 0.76170 0.77124 0.77977 0.78243 0.78647 0.78923 0.79851 0.80638 0.81560 0.82669 0.83155 0.84278 0.85671 0.85906 0.86358 0.87143 0.87786 0.87975 0.88494 0.89133 0.89344 0.90176 0.90757 0.91354 0.91590 0.91741 0.92245 0.92846 0.93443 0.93587 0.94077 0.94133 0.94282 0.94512 0.94942 0.95389 0.95860 0.96238 0.96459 0.96763 0.97525 0.98049 0.98260 0.98824 0.99448 0.99777 0.99877 1.00439 1.00745 1.01148 1.01604 1.02025 1.02783 1.03248 1.03886 1.04149 1.04708 1.04976 1.05752 1.06088 1.07110 1.07176 1.07778 1.08864 1.09471 1.10407 1.12092 1.12631 1.13788 1.14398 1.16013 1.17170 1.17991 1.19290 1.20196 1.20493 1.21937 1.22368 1.22811 1.23146 1.23784 1.24382 1.25155 1.26206 1.26564 1.27191 1.27723 1.28043 1.29187 1.30407 1.32076 1.32643 1.32780 1.34350 1.36302 1.36520 1.37418 1.38035 1.38820 1.40243 1.40903 1.42123 1.43089 1.44693 1.46565 1.47869 1.48590 1.50180 1.50404 1.50757 1.52081 1.52486 1.52600 1.54217 1.54698 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0.683655 0.684599 0.583631 -1666.317609 -1666.286133 -1666.285188 -1666.386157 3.386517D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE C[NH+](CCc1ccccn1)[C@H]2[C@H](O[C@H]([C@H]2O)CO)C[NH+](Cc3ccc(cc3)F)Cc4ccc(cc4)F C20464719 RHF 6-31G(d) (6D,10F) C1 499.264649 |X|Y|Z| 97.019839 82.546360 53.530736 75.402758 30 6 7 8 26 3 1 |36.858105| |12.660704|53.358707| |9.494872|25.752121|0.500000| |7.580177|17.019156|0.260340|36.858105| |5.947753|10.301241|0.214372|12.441226|36.858105| |4.100384|6.798933|0.139384|7.615055|12.567618|36.858105| |3.452638|5.244467|0.106140|5.301295|7.523997|13.799754|36.858105| |2.787819|4.225450|0.085753|4.034644|5.025784|8.007049|13.715902|36.858105| |2.608374|4.080611|0.083381|3.840800|4.507521|7.023708|7.990359|13.803232|36.858105| |2.893727|4.761165|0.098183|4.575199|5.248931|8.383232|7.047652|8.030327|13.742174|36.858105| |3.596759|6.244597|0.129836|6.505291|7.927354|14.340496|8.001830|6.884055|7.988284|14.423298|53.358707| |7.607576|17.158034|0.263146|7.348516|4.960851|3.874621|3.102830|2.645701|2.645626|3.107855|5.266711|36.858105| |7.441464|12.579076|0.230322|5.524758|4.208350|3.314643|2.738571|2.356621|2.341556|2.696757|4.453809|17.638293|0.500000| |4.880536|10.027698|0.196831|5.974692|4.464618|3.804525|3.002098|2.645591|2.756877|3.361848|5.632580|12.306483|0.244023|36.858105| |4.204339|7.615022|0.153343|4.512828|3.595138|3.131086|2.564336|2.301145|2.397345|2.855899|4.592089|9.030882|0.232971|17.473647|0.500000| |4.169864|8.005316|0.146743|5.791794|4.221617|3.866643|3.079742|2.773329|2.948476|3.633091|5.931324|8.173115|0.164814|13.721327|0.260691|73.516695| |4.170570|7.267491|0.125710|5.073407|3.661441|3.318118|2.766049|2.495608|2.588500|3.040171|4.809317|7.773147|0.164506|8.465876|0.207887|23.916051|36.858105| |3.611789|5.970695|0.108160|4.016475|3.089010|2.824346|2.402498|2.199562|2.289366|2.656166|4.100411|6.350950|0.151730|7.275117|0.216624|16.659072|17.549220|0.500000| |5.895688|9.975677|0.155441|5.996064|4.077926|3.428364|2.863701|2.498215|2.500539|2.874802|4.670100|12.176282|0.241406|7.904164|0.190355|14.399417|12.286110|0.244327|36.858105| |5.240660|7.800971|0.130234|4.595481|3.401038|2.893874|2.484980|2.195319|2.190286|2.473741|3.922042|8.801624|0.231152|6.250034|0.173080|10.701454|8.770139|0.230302|17.601642|0.500000| |6.411566|9.606484|0.143517|6.704231|4.410249|3.694493|3.154493|2.705694|2.637064|2.958203|4.801080|7.836827|0.170105|5.470498|0.129894|10.484730|7.699145|0.160542|13.661578|0.259837|73.516695| |3.489904|5.715840|0.100219|4.462512|3.352257|3.216670|2.767725|2.557697|2.669720|3.076770|4.675629|5.093439|0.115010|5.312784|0.132410|14.142034|12.586135|0.249277|7.310659|0.164532|11.962548|36.858105| |2.859348|4.647007|0.085550|3.619323|2.904792|2.889720|2.515432|2.397403|2.573511|2.978807|4.352166|4.061896|0.095824|4.647475|0.121426|12.190644|8.179814|0.211759|5.060146|0.123220|8.067466|13.659312|73.516695| |4.249174|8.454036|0.196290|5.557108|4.776861|4.184951|3.211343|2.846017|3.028685|3.824506|6.531829|7.100635|0.167036|12.484501|0.249502|14.307955|5.273734|0.132116|4.969729|0.116759|7.209299|4.020689|6.713342|36.858105| |3.204579|5.767104|0.126280|4.109846|3.695252|3.544941|2.837227|2.637001|2.910699|3.689994|5.803627|4.844956|0.119464|7.736978|0.196476|12.331287|4.669791|0.124022|3.989876|0.097345|5.918584|3.801073|6.920663|12.663169|53.358707| |3.086467|5.456253|0.114483|3.847897|3.334012|3.195380|2.611010|2.442227|2.681085|3.324900|5.119975|4.883749|0.120341|8.096199|0.226781|14.260372|5.368560|0.149225|4.265286|0.105130|6.128704|4.265426|8.055590|9.301837|25.730916|0.500000| |2.756913|4.663858|0.104642|3.235545|3.062287|2.937381|2.440365|2.296773|2.512179|3.062091|4.636609|3.807913|0.100900|5.275210|0.150263|8.141058|3.526664|0.097793|3.174077|0.081132|4.807158|2.961354|5.429314|7.551252|17.080889|0.258557|36.858105| |2.732569|4.480585|0.099918|2.949975|2.740110|2.547252|2.155174|2.010529|2.146315|2.535511|3.848067|3.817104|0.107071|5.089731|0.163232|7.449132|3.440889|0.099584|3.180773|0.084406|4.705790|2.815168|5.096104|6.209110|10.332680|0.201789|12.651826|36.858105| |2.783706|4.424365|0.101295|2.826731|2.683937|2.438702|2.081975|1.922660|2.015401|2.339788|3.575823|3.654018|0.107502|4.450758|0.139966|6.318884|3.035479|0.086840|2.970994|0.080164|4.463698|2.496667|4.397593|5.324239|7.382490|0.139386|7.556701|13.702215|36.858105| |2.593654|3.954879|0.088448|2.497901|2.353845|2.129665|1.851956|1.712667|1.775624|2.021931|3.060945|3.300780|0.100659|3.781666|0.122378|5.494013|2.779491|0.081282|2.771095|0.077272|4.171953|2.301046|4.037699|4.087912|5.521101|0.110481|5.016550|7.890517|13.756643|36.858105| |2.405069|3.644117|0.078938|2.327152|2.151234|1.967865|1.724009|1.606451|1.670782|1.894386|2.837315|3.131697|0.094868|3.605189|0.121008|5.425770|2.822045|0.085310|2.750839|0.078223|4.099292|2.342825|4.172132|3.662743|5.134767|0.108757|4.467409|6.905361|8.017171|13.814239|36.858105| |2.362912|3.657918|0.077886|2.383565|2.170405|2.015129|1.758413|1.650872|1.736745|1.985580|2.954219|3.215628|0.094115|3.893120|0.134056|6.055505|3.124263|0.096876|2.902518|0.081862|4.268687|2.589995|4.736539|3.885955|5.827918|0.130575|5.027436|7.889618|6.860761|7.881848|13.773113|36.858105| |2.502808|4.016654|0.086201|2.661771|2.420031|2.269756|1.950889|1.835663|1.958006|2.282355|3.406440|3.533980|0.099520|4.622887|0.157632|7.195949|3.491343|0.106316|3.128319|0.085153|4.575746|2.871408|5.332420|4.891215|8.141729|0.187147|7.579827|13.656155|7.940880|6.860341|8.016398|13.796074|36.858105| |2.203880|3.239748|0.069325|2.074503|1.924127|1.761237|1.564243|1.460546|1.507452|1.685716|2.507068|2.748800|0.084126|3.018221|0.099087|4.654054|2.502941|0.075897|2.480997|0.071962|3.755643|2.116177|3.751525|2.983605|4.100800|0.086995|3.414608|4.676609|5.329541|8.204725|14.489297|8.200174|5.332578|97.533100| |2.891362|5.096471|0.108918|4.009992|3.752061|3.926749|3.138318|3.017706|3.508753|4.698616|7.016843|3.970096|0.095985|5.522844|0.133814|10.515461|4.143712|0.106321|3.490789|0.084173|5.509294|3.721062|6.998553|7.571318|16.938588|0.260188|7.520856|4.932985|3.901827|3.102860|2.927530|3.274195|4.250709|5.499461|36.858105| |2.401580|4.033156|0.084232|3.141723|2.939348|3.116740|2.633383|2.617564|3.063002|3.867354|5.324667|3.200943|0.079479|4.226094|0.110245|8.421416|3.641221|0.097596|2.990277|0.074238|4.760017|3.445323|6.960624|4.984841|10.319826|0.208371|6.107358|4.368085|3.406220|2.814330|2.756456|3.179501|4.110253|5.244322|12.674114|36.858105| |2.092714|3.410713|0.072088|2.634724|2.555079|2.731004|2.376575|2.407273|2.821842|3.433802|4.558014|2.646668|0.067476|3.320625|0.088704|6.293792|2.881968|0.078342|2.467422|0.062528|3.997140|2.757504|5.479147|3.927137|7.454223|0.144988|5.369391|3.939125|3.167148|2.640758|2.574385|2.927007|3.693638|4.946956|7.555405|13.689644|36.858105| |1.843714|2.936785|0.061329|2.257004|2.179306|2.323254|2.074599|2.123478|2.462481|2.877638|3.762630|2.290355|0.059043|2.789295|0.076052|5.338976|2.560244|0.070813|2.192609|0.056422|3.580048|2.509508|5.086545|3.125873|5.558798|0.114246|4.090324|3.303121|2.717270|2.350640|2.346428|2.683806|3.267575|4.599345|5.019982|7.894796|13.773461|36.858105| |1.814297|2.876709|0.059082|2.210044|2.087415|2.211716|1.984730|2.026379|2.327906|2.691277|3.538924|2.280805|0.058596|2.765836|0.076106|5.465929|2.685699|0.075264|2.246640|0.058076|3.661572|2.695205|5.679917|2.955967|5.146161|0.111662|3.617124|3.068387|2.523459|2.232034|2.279964|2.649553|3.173824|4.516331|4.473994|6.914675|8.022092|13.804056|36.858105| |1.997665|3.208095|0.064948|2.474346|2.272883|2.393220|2.120691|2.141433|2.451020|2.874566|3.846987|2.595919|0.065675|3.208581|0.087958|6.652601|3.253480|0.091460|2.609825|0.066865|4.207119|3.315583|7.366718|3.314531|5.807529|0.132829|3.791687|3.239530|2.626707|2.324443|2.394543|2.820994|3.408264|4.724569|5.037281|7.900144|6.861088|7.878498|13.782226|36.858105| |2.323992|3.852948|0.078090|2.997112|2.708539|2.846622|2.447067|2.434719|2.806779|3.431001|4.711035|3.147435|0.077791|4.094576|0.109110|8.815507|3.990977|0.109269|3.107173|0.077591|4.925265|3.948218|8.696696|4.313716|8.064329|0.189147|4.734795|3.825516|3.022593|2.600524|2.634101|3.100882|3.890404|5.096409|7.600904|13.655768|7.926580|6.849940|8.012153|13.790555|36.858105| |1.620686|2.522961|0.051641|1.928713|1.830183|1.932932|1.764983|1.810873|2.055975|2.313338|3.027482|1.991812|0.051731|2.350098|0.065265|4.594979|2.334639|0.065988|1.984370|0.051964|3.265797|2.371369|4.963947|2.465099|4.108600|0.088901|2.951153|2.612101|2.205863|1.996434|2.058570|2.371335|2.741549|4.154056|3.418472|4.680879|5.332247|8.203798|14.489514|8.204320|5.331646|97.533100| |17.665045|12.303657|0.228493|7.120734|6.721197|4.427357|3.810435|2.990635|2.722622|2.964316|5.021387|5.576307|0.150274|4.083000|0.098307|6.374665|3.491403|0.084869|4.526052|0.112800|8.938720|3.051669|4.556916|3.828122|4.019312|0.077698|2.583940|2.522053|2.590326|2.401813|2.205196|2.154823|2.287368|4.562865|2.737402|2.276032|2.011517|1.772459|1.730044|1.883509|2.176711|3.487923|0.500000| |17.642617|12.251090|0.227878|5.548008|4.682658|3.432933|2.941879|2.443699|2.316801|2.564192|4.237838|7.116558|0.232663|4.677790|0.118363|6.821239|3.863019|0.097014|5.378062|0.143888|9.434019|3.169710|4.723564|4.079560|4.223795|0.083444|2.749593|2.814026|2.943554|2.802600|2.582683|2.485013|2.581018|5.368735|2.723875|2.287965|2.012573|1.781431|1.750900|1.916681|2.211613|3.533955|0.300228|0.500000| |17.736563|12.280481|0.182844|6.830820|5.118152|3.791701|3.292694|2.697167|2.516557|2.753116|4.551917|6.826119|0.179026|4.454773|0.108372|7.224805|4.341241|0.103441|6.444273|0.161241|14.490787|3.747466|5.298993|3.731181|3.996211|0.080340|2.514363|2.495591|2.500718|2.359227|2.237353|2.226037|2.342123|4.662880|2.696310|2.289513|1.991445|1.774922|1.767895|1.960311|2.262082|3.574237|0.299041|0.298404|0.500000| |7.361715|12.307123|0.184408|17.722031|8.740635|6.435719|5.089068|3.918515|3.628546|4.097681|7.293730|6.267196|0.136391|4.926353|0.109274|9.034374|4.941119|0.108218|6.054602|0.130083|14.413679|4.646146|6.452544|4.357261|4.694927|0.092591|2.783844|2.586361|2.481752|2.243895|2.124971|2.180707|2.394781|4.328700|3.411372|2.804088|2.377127|2.080192|2.066132|2.320114|2.753070|4.107419|0.192006|0.146057|0.216239|0.500000| |5.624015|12.301844|0.209982|17.728791|8.831677|7.351353|5.003444|4.056441|4.107822|5.217798|10.342521|7.289776|0.146048|7.060964|0.140035|13.631561|6.001149|0.126785|6.221979|0.128425|11.370980|5.285015|7.670647|6.565297|6.695918|0.128246|3.632749|3.208686|2.965771|2.577569|2.424130|2.538821|2.903432|4.802622|4.962061|3.755980|3.033530|2.558418|2.514966|2.869476|3.590663|4.858664|0.143090|0.126093|0.146714|0.303220|0.500000| |5.626701|9.933717|0.248421|8.795826|17.491184|9.003293|5.962038|4.377012|4.101920|4.875617|9.719348|4.930878|0.120445|4.617318|0.104208|7.298071|3.461700|0.083165|3.815312|0.090302|6.899200|3.072911|4.850026|5.376766|5.466544|0.097438|3.400918|3.020705|3.013480|2.594787|2.318471|2.311107|2.591975|4.621463|3.963133|3.031829|2.663036|2.242465|2.114908|2.276499|2.719706|4.155951|0.175313|0.131555|0.127522|0.173619|0.200789|0.500000| |6.145709|8.818996|0.178955|8.777754|17.599756|8.873067|7.257513|4.754368|4.014157|4.316671|7.835877|4.323315|0.106544|3.735896|0.086905|6.274802|3.219676|0.076813|3.686607|0.088041|7.340724|2.994193|4.603265|3.860010|4.195373|0.078702|2.645177|2.427731|2.419714|2.167952|1.987095|1.983837|2.170748|4.057033|3.093737|2.518866|2.232893|1.940156|1.867580|2.018531|2.353966|3.734069|0.218730|0.132630|0.148630|0.218152|0.174157|0.303037|0.500000| |3.538137|5.077883|0.102072|4.923586|6.913987|8.901446|17.738498|8.876682|5.661182|5.044358|7.750109|2.961448|0.073846|2.774107|0.066662|4.979431|2.583628|0.062782|2.748424|0.067129|5.479016|2.574792|4.116613|2.905231|3.461825|0.065629|2.223465|2.005038|1.963671|1.769171|1.647188|1.665649|1.824369|3.391503|2.728056|2.322026|2.111518|1.865615|1.794627|1.913246|2.181535|3.626328|0.112237|0.083405|0.094384|0.137404|0.122081|0.152606|0.220390|0.500000| |2.501236|3.679002|0.074461|3.382364|4.079724|5.670331|8.890501|17.733367|8.905230|5.673546|6.749750|2.333262|0.058564|2.312485|0.056774|4.294008|2.218673|0.054953|2.231855|0.055272|4.315352|2.290058|3.834290|2.455344|3.125358|0.059671|2.036622|1.807115|1.739169|1.565928|1.474582|1.510466|1.663513|3.040448|2.588464|2.302034|2.149556|1.929551|1.849995|1.940241|2.165483|3.768701|0.074799|0.061557|0.067903|0.093540|0.093124|0.100667|0.112494|0.213353|0.500000| |2.278394|3.512394|0.071757|3.182796|3.596143|5.033701|5.651242|8.876187|17.751188|8.903691|7.756944|2.334960|0.058067|2.451986|0.060293|4.682910|2.341056|0.058364|2.236394|0.055119|4.161676|2.441184|4.270962|2.676869|3.600566|0.068400|2.327134|1.995371|1.868813|1.656331|1.568242|1.635187|1.837593|3.197154|3.202857|2.917462|2.757896|2.455749|2.321587|2.408984|2.694805|4.662494|0.065588|0.057017|0.061503|0.084695|0.094674|0.093088|0.091081|0.123797|0.212403|0.500000| |2.637383|4.353720|0.090160|3.978064|4.286047|5.894460|5.042079|5.681519|8.911763|17.711930|12.698842|2.967971|0.071937|3.338716|0.079896|6.523123|3.022653|0.074438|2.765511|0.066603|4.929995|3.069726|5.483989|3.855312|5.398373|0.099245|3.288130|2.656363|2.401737|2.060742|1.942245|2.060920|2.399954|3.867199|5.461338|4.625885|4.122796|3.387925|3.120349|3.308834|3.987022|5.924451|0.073715|0.066091|0.069896|0.099149|0.129439|0.115088|0.099329|0.109076|0.124253|0.214530|0.500000| |5.227134|7.204795|0.115317|5.092975|3.674539|3.189043|2.818491|2.466359|2.400454|2.640137|4.155378|5.884335|0.140260|4.465114|0.111969|8.648630|6.584020|0.149136|9.774457|0.242115|35.654255|6.400268|7.773394|3.421200|3.975860|0.084919|2.428674|2.403619|2.285837|2.170645|2.160678|2.252231|2.378040|4.516965|2.742768|2.437865|2.072537|1.884715|1.945207|2.231425|2.559066|3.948219|0.118760|0.126688|0.187379|0.170031|0.136683|0.090892|0.098140|0.077300|0.062450|0.060030|0.069294|0.500000| |3.669707|6.071909|0.105035|5.194503|3.817772|3.746760|3.207786|2.945747|3.063530|3.538050|5.418832|4.964853|0.109815|5.007753|0.118608|12.905905|8.893771|0.174986|6.619453|0.142921|12.647747|17.574992|16.437284|4.001341|5.040111|0.110615|2.869323|2.662884|2.388265|2.178949|2.178209|2.371247|2.642813|4.426103|3.789334|3.422507|2.750601|2.478498|2.621876|3.173506|3.805077|5.177565|0.090754|0.089581|0.110044|0.155948|0.175701|0.093917|0.093859|0.082041|0.072485|0.076745|0.096089|0.179948|0.500000| |3.325470|5.132248|0.089819|3.893022|2.994351|2.845350|2.516066|2.328151|2.387941|2.674841|4.015542|4.503595|0.106607|4.377202|0.113909|10.188834|8.944892|0.213016|6.760336|0.168470|11.911077|17.523297|16.460843|3.377637|4.322639|0.097786|2.581479|2.512983|2.272540|2.138607|2.195251|2.402084|2.590460|4.542871|3.076070|2.895084|2.394996|2.219153|2.387023|2.874411|3.281519|4.830333|0.080680|0.084838|0.102242|0.116647|0.120246|0.076217|0.076505|0.066300|0.058840|0.061175|0.073496|0.201315|0.300566|0.500000| |2.591931|4.101073|0.075898|3.248329|2.675234|2.712460|2.416488|2.339355|2.512483|2.847383|4.054205|3.445850|0.082878|3.801212|0.099751|9.238628|5.994698|0.157271|4.225263|0.105413|7.149187|9.811016|35.697996|3.222530|4.535310|0.104779|2.696793|2.528447|2.209753|2.043991|2.110736|2.375483|2.640235|4.319615|3.466926|3.534167|2.867976|2.723250|3.078024|3.946953|4.412742|6.183684|0.065492|0.066817|0.075633|0.092259|0.105242|0.069324|0.067122|0.061981|0.059043|0.065974|0.081979|0.110759|0.223379|0.229871|0.500000| |4.203036|7.838075|0.197378|4.786045|4.372495|3.732241|2.947983|2.607432|2.726476|3.330992|5.560895|6.346854|0.168771|8.854785|0.219550|10.269773|4.335332|0.113298|4.356918|0.107685|6.407141|3.370341|5.633584|17.651686|12.284210|0.195232|7.702211|7.101383|6.825354|4.939046|4.135541|4.161343|5.112955|7.436338|5.769826|4.169473|3.513004|2.852127|2.667488|2.906257|3.610416|5.097161|0.106315|0.117515|0.099766|0.106672|0.143322|0.143231|0.101904|0.075611|0.063352|0.067512|0.092401|0.086001|0.092490|0.081639|0.076636|0.500000| |4.422453|9.065009|0.215499|6.777550|6.147903|5.412948|3.892276|3.376441|3.611078|4.760249|8.826595|6.382337|0.145432|8.715265|0.173647|12.536005|4.792401|0.115193|4.633406|0.106540|7.235642|3.905358|6.433169|17.653666|12.414976|0.190173|6.032569|4.785938|4.308452|3.417184|3.062046|3.199145|3.890261|5.784478|7.808551|4.868468|3.884103|3.064821|2.865969|3.180500|4.122959|5.387122|0.114890|0.112726|0.106873|0.138242|0.231067|0.198422|0.128787|0.095254|0.078921|0.086230|0.129664|0.094452|0.113637|0.090963|0.087512|0.299873|0.500000| |2.770358|4.652102|0.107569|3.253189|3.215502|3.088769|2.560291|2.402422|2.621356|3.195492|4.861836|3.600452|0.096007|4.690265|0.127664|7.159708|3.155721|0.085605|2.946818|0.075097|4.579199|2.694869|4.845619|7.053979|12.363065|0.181975|17.625671|8.819294|7.205662|4.735951|3.984476|4.172263|5.582463|7.056794|6.789973|5.256417|4.922065|3.744820|3.231730|3.300066|4.020898|6.037254|0.073571|0.076645|0.069187|0.076911|0.099434|0.102276|0.077062|0.064699|0.059025|0.067143|0.094451|0.064105|0.074095|0.065842|0.067815|0.217498|0.172605|0.500000| |2.420381|4.005689|0.087782|2.860529|2.725769|2.694836|2.283085|2.195184|2.435438|2.944983|4.294068|3.241368|0.085487|4.327204|0.123308|7.217662|3.215165|0.090075|2.831902|0.072879|4.362110|2.802791|5.304319|5.592623|12.436353|0.222206|17.667464|8.866137|5.777120|4.260859|4.007469|4.676945|6.949799|7.091415|7.347158|7.222228|6.912037|5.115821|4.332453|4.371748|5.334803|7.750963|0.063476|0.066644|0.062353|0.069790|0.089545|0.082358|0.066062|0.057628|0.054425|0.063731|0.090064|0.062039|0.075314|0.068111|0.074129|0.150355|0.134306|0.301680|0.500000| 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|2.521655|3.738694|0.084040|2.353406|2.251325|2.025183|1.778548|1.640710|1.684960|1.896776|2.867046|3.032575|0.093745|3.313438|0.103927|4.858883|2.499419|0.072291|2.552118|0.071626|3.915199|2.096829|3.643292|3.557419|4.655823|0.092063|4.077967|5.610617|8.850082|17.748108|8.960778|5.635931|4.948462|16.754829|2.723900|2.468202|2.341839|2.101600|1.993718|2.062369|2.285653|4.054698|0.065563|0.076684|0.063463|0.059087|0.066288|0.069163|0.058404|0.047608|0.041902|0.043689|0.053240|0.056854|0.055627|0.054682|0.051692|0.119338|0.085478|0.112208|0.098197|0.214370|0.500000| 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