Version2.0 2019-11-12T06:05:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccc(cc3)S(=O)(=O)N(CC)Cc4ccccc4)C1 C12378215 RHF 6-31G(d) (6D,7F) CC[NH+]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccc(cc3)S(=O)(=O)N(CC)Cc4ccccc4)C1 C01[X(C26H31N4O4S2)] 195 C1 610 CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC[NH+](C2)CC)Cc1ccccc1 CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC[NH+](C2)CC)Cc1ccccc1 CCN(Cc1ccccc1)[S](=O)(=O)c2ccc(cc2)C(=O)Nc3sc4C[NH+](CC)CCc4c3C(N)=O InChIKey=VPEMNPODXCXJJF-UHFFFAOYSA-O InChI=1S/C26H30N4O4S2/c1-3-29-15-14-21-22(17-29)35-26(23(21)24(27)31)28-25(32)19-10-12-20(13-11-19)36(33,34)30(4-2)16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H2,27,31)(H,28,32)/p+1 InChI=1/C26H30N4O4S2/c1-3-29-15-14-21-22(17-29)35-26(23(21)24(27)31)28-25(32)19-10-12-20(13-11-19)36(33,34)30(4-2)16-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3,(H2,27,31)(H,28,32)/p+1/fC26H31N4O4S2/h28-29H,27H2/q+1 CC[NH+]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccc(cc3)S(=O)(=O)N(CC)Cc4ccccc4)C1 C01[X(C26H31N4O4S2)] 195 C01 610 CCN(S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N)CC[NH+](C2)CC)Cc1ccccc1 CCN([S@](=O)(c1ccc(cc1)C(=O)N[C@@H]1SC2=C([C@@H]1C(=O)N)CC[NH](C2)CC)O)Cc1ccccc1 CCN(Cc1ccccc1)[S](O)(=O)c2ccc(cc2)C(=O)N[C@@H]3SC4=C(CC[NH](CC)C4)[C@@H]3C(N)=O InChIKey=CMHYQZWCIYUICW-XMMPIXPASA-N InChI=1S/C26H27ClN4O5/c1-30(2)18-9-6-15(7-10-18)24-28-20-11-8-17(27)14-19(20)26(33)31(24)29-25(32)16-12-21(34-3)23(36-5)22(13-16)35-4/h6-14,24,28H,1-5H3,(H,29,32)/t24-/m1/s1 InChI=1/C26H27ClN4O5/c1-30(2)18-9-6-15(7-10-18)24-28-20-11-8-17(27)14-19(20)26(33)31(24)29-25(32)16-12-21(34-3)23(36-5)22(13-16)35-4/h6-14,24,28H,1-5H3,(H,29,32)/t24-/m1/s1/f/h29H 4064.6354407014 -2314.6500158 1-A 38273.0950 139 471 610 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4675.35 4699.95 4711.44 4714.43 4724.51 4727.51 4740.30 4752.63 4765.28 4781.54 4785.76 4799.01 4817.34 4822.34 4829.25 4838.82 4854.48 4855.40 4869.97 4881.96 4904.37 4920.39 4925.11 5303.00 5429.97 5544.91 5585.87 0.592395 0.624876 0.625820 0.522452 -2314.057621 -2314.025140 -2314.024196 -2314.127564 3.466980D-04 MUNgauss RevisionA1.9 retrievium 12-Nov-2019 DUDE CC[NH+]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccc(cc3)S(=O)(=O)N(CC)Cc4ccccc4)C1 C12378215 RHF 6-31G(d) (6D,10F) C1 527.178637 |X|Y|Z| 185.594772 48.382845 38.550192 70.214676 26 6 7 16 21 3 2 |36.858105| |12.522339|36.858105| |7.557571|12.648234|53.358707| |7.367671|9.288807|25.687853|0.500000| |5.986781|7.567308|17.205730|0.258423|36.858105| |4.305025|4.951709|10.383026|0.204374|12.510024|36.858105| |3.664215|4.429399|9.211369|0.183089|7.641527|12.639108|36.858105| |3.849024|5.020727|10.611013|0.199237|6.859478|7.661743|14.213395|36.858105| |2.926179|3.601577|6.368947|0.126671|4.227329|4.730732|7.388600|10.962131|388.023441| |2.619340|3.056748|5.392538|0.110375|3.985344|5.047087|8.182309|7.732990|77.935022|36.858105| |2.886681|3.326813|6.124110|0.126233|4.911232|7.241079|13.183086|8.227407|52.345873|13.937848|36.858105| |2.564620|2.822734|4.925580|0.102571|4.152935|6.112012|7.431504|5.131781|33.508626|7.475666|12.796501|36.858105| |2.603283|2.820668|4.848527|0.099329|4.361490|6.511533|6.497873|4.511807|27.707609|5.341595|8.110967|15.915976|73.516695| |2.217812|2.399127|4.027243|0.085092|3.234016|4.321510|5.099347|4.030710|29.060091|6.401259|7.820572|13.854354|15.053483|53.358707| |2.204416|2.507462|4.193859|0.086177|3.110911|3.782194|5.210795|4.994329|49.694590|13.837681|7.797680|6.233398|8.146206|8.934693|53.358707| |2.010782|2.283732|3.694376|0.075702|2.660444|3.063578|4.002835|4.141107|43.620852|7.793727|5.126322|4.298018|6.123036|6.228209|18.825489|36.858105| |2.078760|2.391423|3.833800|0.078296|2.669822|2.975329|3.890125|4.321332|49.952422|6.839772|4.590487|3.695637|5.427893|5.104427|11.578447|15.933901|73.516695| |1.743847|1.941466|3.063141|0.062853|2.237577|2.549640|3.137756|3.150889|29.486281|5.077897|3.908227|3.626043|5.360353|5.560660|10.640738|12.754963|14.302508|36.858105| |1.613536|1.782445|2.758865|0.056886|1.983319|2.209115|2.651732|2.717474|24.959311|3.918135|3.142985|2.922154|4.441848|4.420657|7.121633|7.744439|11.967175|13.705846|36.858105| |1.449019|1.582004|2.416317|0.049800|1.752207|1.938628|2.261585|2.285973|19.974405|3.123610|2.638358|2.541373|3.956982|3.876242|5.402908|5.088932|8.060365|7.929312|13.781769|36.858105| |1.395894|1.516545|2.316685|0.047584|1.708479|1.902911|2.192037|2.169355|18.413753|2.969384|2.579309|2.568582|4.042957|3.977751|5.138500|4.476405|6.795572|6.893561|7.963426|13.736142|36.858105| |1.476088|1.609072|2.484896|0.050842|1.860591|2.104493|2.439088|2.367473|19.983008|3.380155|2.947748|3.000989|4.689622|4.733624|6.064700|5.019833|7.130860|7.924657|6.858009|7.901630|13.748769|36.858105| |1.651575|1.821728|2.862976|0.058479|2.145157|2.465437|2.952561|2.858217|24.981983|4.467207|3.712077|3.695922|5.567548|5.855684|8.901077|7.513384|9.428502|13.702037|7.916154|6.859781|7.964774|13.769286|36.858105| |1.236005|1.328378|2.000395|0.041092|1.478873|1.627714|1.828016|1.804524|14.815835|2.331438|2.097080|2.119899|3.425270|3.243536|3.815387|3.153011|5.025365|4.186890|4.718353|6.927212|10.662865|6.930723|4.718646|388.023441| |1.215147|1.298367|1.957940|0.040253|1.463703|1.621751|1.801189|1.749876|14.075633|2.256715|2.075639|2.153056|3.512247|3.336884|3.663511|2.896363|4.547244|3.724283|3.869193|5.009109|7.416979|6.541642|4.458144|94.709550|73.516695| |1.198200|1.282400|1.920709|0.039662|1.405975|1.537654|1.721377|1.713127|14.056543|2.169308|1.951822|1.953864|3.156071|2.974596|3.489675|2.905079|4.764426|3.717501|4.449994|6.531661|7.397881|4.996867|3.861768|94.854322|13.593850|73.516695| |1.179726|1.271669|1.899067|0.038699|1.404456|1.526981|1.706002|1.698511|13.887871|2.135728|1.926120|1.928349|3.156372|2.873664|3.423195|2.829759|4.626601|3.603434|3.984621|5.338533|6.917037|5.368048|3.992578|83.608821|13.719176|13.726314|53.358707| |1.137872|1.227207|1.818163|0.037018|1.332382|1.432454|1.597895|1.611625|13.210229|1.977144|1.776974|1.752003|2.874813|2.572175|3.113280|2.606074|4.404721|3.204826|3.678891|4.783487|5.227090|4.089309|3.330683|50.252969|8.903191|11.814475|17.638842|36.858105| |1.187565|1.291242|1.910636|0.038699|1.392248|1.487082|1.672100|1.708532|14.203177|2.084828|1.848513|1.790051|2.929387|2.589431|3.273371|2.802395|4.842252|3.399313|3.943812|4.852719|4.859470|3.942368|3.402400|37.162468|6.975782|8.715125|10.310161|12.482918|36.858105| |1.164864|1.256040|1.873541|0.037962|1.399418|1.520412|1.686763|1.667762|13.457925|2.080789|1.900341|1.921571|3.183115|2.839864|3.303353|2.659528|4.320361|3.295450|3.409204|4.172952|5.392354|4.991159|3.807654|50.525973|11.744567|8.867960|17.657710|7.557578|5.899880|36.858105| |1.068129|1.144316|1.692462|0.034295|1.265423|1.364646|1.493495|1.475403|11.705823|1.789633|1.659806|1.686125|2.828777|2.472355|2.775764|2.195323|3.622435|2.613793|2.701451|3.200201|3.861182|3.627287|2.940458|36.202239|9.123880|7.285305|10.420349|6.110232|4.713051|12.568027|36.858105| |1.029360|1.103517|1.621879|0.032725|1.212442|1.296364|1.411825|1.401460|11.054437|1.666782|1.551478|1.566559|2.647911|2.263768|2.547684|2.007758|3.358870|2.329850|2.392832|2.742393|3.160484|3.026586|2.571468|27.131241|6.679953|5.788595|7.284378|5.009546|4.337891|7.558954|13.744820|36.858105| |0.958921|1.022697|1.494648|0.030181|1.117776|1.189731|1.284143|1.273318|9.933590|1.489678|1.399816|1.417757|2.413576|2.041045|2.248388|1.753764|2.953632|1.998004|2.049280|2.314822|2.610808|2.512155|2.180232|22.198366|5.589287|4.949822|5.474023|3.914147|3.429819|5.011054|7.901418|13.717615|36.858105| |0.926591|0.983318|1.436806|0.029122|1.075009|1.146772|1.232536|1.217013|9.445535|1.422833|1.344506|1.370817|2.336503|1.985827|2.144460|1.662296|2.791929|1.892749|1.945760|2.208330|2.497429|2.392591|2.066687|21.799766|5.661687|4.952849|5.113110|3.589773|3.031870|4.429622|6.840116|7.941892|13.783613|36.858105| |0.954382|1.011639|1.484879|0.030207|1.111196|1.193009|1.285504|1.264214|9.839941|1.496685|1.412927|1.448599|2.457631|2.121999|2.274827|1.763795|2.937197|2.035512|2.100924|2.427265|2.803252|2.658352|2.244007|25.762456|6.941522|5.800346|5.916320|3.938344|3.151751|5.017714|7.915651|6.892396|7.948444|13.714812|36.858105| |1.023386|1.089246|1.608743|0.032743|1.203572|1.300031|1.412916|1.388636|10.919259|1.675519|1.568479|1.607558|2.705072|2.374253|2.584343|2.021092|3.332079|2.387340|2.473250|2.930713|3.514409|3.287778|2.674770|34.486120|9.438790|7.285342|8.404934|5.046530|3.805679|7.546601|13.680655|7.953940|6.874275|7.927644|13.784387|36.858105| |4.987950|7.665812|17.289881|0.260161|7.730251|6.353663|7.549649|12.722011|47.975995|4.842257|5.065076|3.756983|6.268290|4.212607|4.933492|3.228216|6.147984|2.581831|2.309996|1.984091|1.879502|2.014585|2.358865|11.364970|2.750452|2.722285|2.070723|1.460769|1.552415|1.495494|1.338926|1.282763|1.174216|1.122601|1.159399|1.262936|36.858105| |17.556073|8.787550|9.328464|0.217512|5.286198|4.165375|3.621061|3.785466|20.828017|2.637613|2.897769|2.579263|4.593153|3.072822|3.029503|2.032791|3.738896|1.762711|1.638511|1.470019|1.410578|1.485781|1.661019|8.878668|2.180834|2.161916|1.612635|1.142942|1.189202|1.163847|1.066594|1.024372|0.954345|0.924619|0.955141|1.024976|4.723373|0.500000| |17.603792|8.722434|9.100049|0.179148|6.417141|4.553188|3.643627|3.638090|19.615852|2.556055|2.882276|2.627059|4.856275|3.066859|2.940075|1.949969|3.534656|1.703966|1.567829|1.415195|1.374352|1.461714|1.632187|8.680016|2.146590|2.095603|1.585236|1.118504|1.162735|1.155205|1.061249|1.022661|0.953957|0.922918|0.950807|1.018433|4.439721|0.300088|0.500000| |17.590647|8.955776|7.544804|0.147745|4.606401|3.489333|3.073867|3.262284|18.465967|2.316573|2.502510|2.246116|4.049657|2.686163|2.703388|1.838378|3.393948|1.610259|1.502897|1.357723|1.307295|1.374743|1.526387|8.287264|2.033776|2.013839|1.521387|1.083005|1.131605|1.104166|1.016765|0.983329|0.918687|0.887565|0.911742|0.974496|4.161739|0.302705|0.303147|0.500000| |8.859517|17.627377|12.417510|0.214915|5.605493|4.156953|4.017849|4.807003|26.013909|2.981851|3.124307|2.622644|4.564035|3.095234|3.362389|2.295869|4.354419|1.946122|1.805798|1.597658|1.517740|1.596441|1.804349|9.448533|2.293110|2.292312|1.733987|1.236892|1.307138|1.251984|1.140072|1.100321|1.019298|0.979106|1.006577|1.083946|7.556957|0.210793|0.172489|0.216600|0.500000| |8.769446|17.623594|12.405947|0.182207|7.252400|4.646396|4.140431|4.629012|24.180651|2.911494|3.158931|2.711707|4.889325|3.127260|3.284472|2.204250|4.088263|1.886974|1.728013|1.540457|1.484790|1.580371|1.784986|9.275755|2.269338|2.228627|1.711569|1.213759|1.280490|1.249605|1.140507|1.104586|1.024312|0.982230|1.007002|1.082576|6.757731|0.172145|0.209341|0.211114|0.301956|0.500000| |5.142733|6.821010|12.457934|0.182472|17.617448|8.787659|6.666679|6.387251|29.463008|3.839707|4.564849|3.872516|7.289603|4.136259|4.139847|2.629064|4.703884|2.219619|1.963018|1.737861|1.700287|1.856719|2.139376|10.476480|2.588791|2.477736|1.921679|1.341065|1.408891|1.415653|1.280463|1.232999|1.135834|1.087697|1.119615|1.211857|7.327840|0.122070|0.151072|0.117687|0.146008|0.213222|0.500000| |6.877012|7.241041|12.310470|0.216513|17.667973|8.811401|5.561625|4.998630|24.424482|3.313557|4.015288|3.628966|6.962593|3.966901|3.663635|2.334484|4.147785|2.006917|1.798319|1.608041|1.574750|1.707081|1.940581|9.808217|2.438323|2.338720|1.784159|1.244926|1.294137|1.307838|1.190958|1.142883|1.059070|1.021890|1.055620|1.138126|5.632711|0.162871|0.237539|0.142912|0.144515|0.193421|0.301220|0.500000| |3.686810|4.111301|7.606670|0.146151|8.954152|17.639642|8.902215|5.849362|29.148152|4.612123|6.609375|6.450712|14.208371|6.031902|4.932429|2.923246|4.946717|2.488905|2.141263|1.899856|1.892326|2.116426|2.467499|11.571470|2.908502|2.710375|2.084665|1.428034|1.477192|1.539619|1.384597|1.316842|1.209372|1.165441|1.211408|1.318912|4.935177|0.097546|0.111267|0.085868|0.097078|0.112692|0.219230|0.206867|0.500000| |4.297158|4.561933|8.971258|0.203262|8.828471|17.528517|8.883741|6.079503|29.580533|4.535905|6.341590|5.877256|11.062538|5.938959|4.804876|2.884417|4.958590|2.437807|2.135416|1.886306|1.850842|2.034197|2.358778|11.330424|2.833365|2.693236|2.018415|1.390468|1.432639|1.469134|1.323348|1.252671|1.153340|1.117658|1.166806|1.269419|5.263257|0.121337|0.127723|0.096044|0.107901|0.114367|0.173377|0.219485|0.305559|0.500000| |2.207824|2.381002|3.987763|0.085856|3.089187|4.032921|4.859065|4.010977|30.007100|6.530004|7.211016|9.355794|11.096254|25.953196|9.414220|4.918975|7.162861|4.344657|3.499886|3.025428|3.036274|3.528509|4.364364|17.436234|4.432717|4.058669|2.913233|1.925898|1.935549|2.077880|1.805474|1.645784|1.483826|1.447847|1.552907|1.740430|3.088681|0.063248|0.061608|0.054627|0.063455|0.062540|0.079652|0.077484|0.109675|0.115901|0.500000| |2.079198|2.210395|3.634576|0.076744|2.952501|3.858291|4.229221|3.402676|23.996752|4.805806|5.750872|9.563165|14.090118|25.921416|6.765395|3.776366|5.626476|3.550680|2.909300|2.633755|2.756762|3.275014|3.861901|16.429149|4.313676|3.759681|2.783224|1.820373|1.811398|2.036622|1.790842|1.637383|1.484686|1.453370|1.557431|1.735511|2.726996|0.058751|0.059249|0.051693|0.057966|0.059097|0.077297|0.075739|0.113103|0.110353|0.316703|0.500000| |2.085466|2.330656|3.862813|0.079654|2.946375|3.644333|4.752462|4.281616|37.511010|9.436894|7.278285|7.056715|8.997116|11.664079|26.023010|9.262091|10.859836|7.425969|4.927328|3.950833|3.957186|4.929318|7.408350|20.907237|5.154478|4.697212|3.533830|2.311336|2.383028|2.530320|2.120787|1.928997|1.701152|1.630308|1.740990|1.986095|3.209369|0.058482|0.057455|0.052266|0.063086|0.062577|0.079851|0.071969|0.100092|0.095994|0.238761|0.173725|0.500000| |1.653345|1.832329|2.823978|0.058426|1.993676|2.194426|2.643251|2.776356|26.027087|3.847445|3.058951|2.768791|4.219991|4.093688|6.615800|7.253998|13.324956|8.933016|17.756984|8.917177|5.654280|4.947356|5.644622|27.723687|5.764294|6.911264|4.654973|3.315390|3.630391|2.944775|2.409688|2.174032|1.887852|1.794819|1.920427|2.221857|2.387214|0.046816|0.044266|0.042864|0.052097|0.049084|0.054641|0.050150|0.058313|0.059025|0.090964|0.074551|0.121402|0.500000| |1.373308|1.491897|2.255409|0.046581|1.624043|1.777007|2.049063|2.086839|17.999334|2.730022|2.341119|2.250186|3.544539|3.391881|4.528272|4.145232|6.954224|5.640642|8.915495|17.761031|8.920446|5.637187|4.949065|47.135327|8.212138|13.352044|7.184724|5.170587|5.171778|3.936388|3.127175|2.694728|2.298703|2.206485|2.425863|2.901907|1.842711|0.038785|0.037163|0.035923|0.042053|0.040309|0.044689|0.041639|0.048210|0.048256|0.073693|0.064621|0.091062|0.214230|0.500000| |1.414954|1.532969|2.356858|0.048122|1.784912|2.018746|2.296503|2.199996|18.017418|3.047822|2.753513|2.885833|4.609210|4.555574|5.252205|4.081314|5.954284|5.640110|4.948074|5.634888|8.917647|17.764456|8.918500|47.111897|13.319042|8.184412|7.253651|3.897428|3.628171|5.426980|3.953339|3.234756|2.678446|2.567379|2.885776|3.615147|1.886986|0.039459|0.039156|0.036659|0.042012|0.041996|0.049600|0.045798|0.057083|0.054299|0.092080|0.090204|0.121186|0.107494|0.124169|0.500000| |1.722398|1.903500|3.019184|0.061321|2.307711|2.696508|3.233544|3.043571|25.894885|4.890347|4.184258|4.318823|6.479083|6.877827|9.700066|6.840398|8.642659|8.839150|5.620241|4.945924|5.674168|8.992897|17.721908|27.834048|6.954220|5.765492|4.689708|2.900300|2.959320|3.448909|2.741838|2.436207|2.087219|1.978986|2.132416|2.506387|2.474312|0.047875|0.047619|0.044009|0.051838|0.052050|0.064205|0.057773|0.076231|0.071020|0.134621|0.125328|0.251136|0.123794|0.107470|0.217054|0.500000| |1.074179|1.154459|1.701060|0.034583|1.249889|1.337580|1.478609|1.488218|12.039678|1.794238|1.631439|1.616502|2.677169|2.359402|2.784720|2.288127|3.884936|2.737934|3.050098|3.772052|4.134249|3.449424|2.869313|39.222688|7.841707|9.318510|12.603915|17.606057|8.847060|7.190177|7.102860|6.062238|4.736247|4.283956|4.612037|5.790752|1.358773|0.029923|0.029385|0.028480|0.032282|0.031799|0.035009|0.032575|0.037158|0.036088|0.048799|0.046704|0.057582|0.077568|0.111378|0.094449|0.071282|0.500000| |1.126646|1.211197|1.792852|0.036677|1.307318|1.405521|1.566860|1.582710|12.976772|1.935945|1.739888|1.713084|2.802303|2.526527|3.040753|2.552324|4.343253|3.124571|3.697540|4.912203|5.079106|3.840175|3.168630|50.021660|8.622934|14.608002|12.501848|17.682806|8.831912|5.623394|4.851351|4.039999|3.365561|3.219724|3.589859|4.435697|1.437358|0.031559|0.030707|0.029796|0.033989|0.033137|0.036370|0.033988|0.038741|0.038100|0.053056|0.049669|0.062525|0.094234|0.159058|0.100027|0.076173|0.304735|0.500000| |1.265297|1.382525|2.057643|0.041731|1.492003|1.599382|1.819438|1.869986|15.847435|2.322849|2.024846|1.939887|3.140505|2.812722|3.700991|3.270431|5.679235|4.065149|4.965845|6.223478|5.717815|4.454790|3.913664|38.560582|7.030688|9.120455|9.216689|8.762508|17.568614|5.192307|4.008011|3.629035|2.937129|2.650894|2.787997|3.353035|1.686293|0.035256|0.034310|0.033394|0.038971|0.037966|0.041861|0.038322|0.043906|0.042740|0.058809|0.054098|0.074011|0.126387|0.185534|0.108317|0.091806|0.172786|0.209856|0.500000| |1.190911|1.298271|1.919501|0.038667|1.406447|1.499224|1.682407|1.716481|14.196208|2.084700|1.855938|1.799854|2.962984|2.582792|3.257137|2.755049|4.740468|3.294864|3.639499|4.258633|4.439831|3.861707|3.376767|32.828279|6.576407|7.265427|9.239194|8.744681|17.565906|6.349491|5.036879|4.904808|3.732932|3.164320|3.198512|3.841414|1.560779|0.032978|0.032459|0.031537|0.036411|0.035949|0.039773|0.036286|0.041585|0.039901|0.053064|0.050248|0.066021|0.092431|0.118905|0.101084|0.083378|0.210355|0.172558|0.301428|0.500000| |1.142381|1.239719|1.821370|0.036897|1.320206|1.399099|1.565019|1.608787|13.297573|1.919782|1.710254|1.648395|2.709246|2.366880|2.963677|2.521373|4.445770|2.957581|3.433559|4.060430|3.910358|3.251199|2.898795|29.870048|5.852352|7.490490|7.553732|8.874595|17.554016|4.567108|4.007462|3.865194|3.208309|2.854516|2.910237|3.369067|1.477414|0.031789|0.031000|0.030354|0.034990|0.034152|0.037108|0.034185|0.038486|0.037500|0.049258|0.046040|0.059488|0.091239|0.124092|0.083747|0.071165|0.213838|0.213558|0.301528|0.302389|0.500000| |1.193166|1.293923|1.928494|0.038869|1.439592|1.557021|1.734533|1.726189|14.009954|2.145542|1.946418|1.947009|3.227544|2.838924|3.397055|2.757618|4.515408|3.381355|3.459541|4.085864|5.027888|4.812990|3.860448|40.117016|8.995726|7.538493|12.418545|6.919245|6.529100|17.579666|8.895215|7.346322|4.787052|3.987511|4.189513|5.587420|1.549605|0.032996|0.032825|0.031441|0.035868|0.035893|0.040693|0.037241|0.043810|0.041497|0.057403|0.056100|0.071494|0.083501|0.105838|0.140251|0.097910|0.181168|0.140681|0.158036|0.223901|0.136950|0.500000| |1.200474|1.293087|1.939836|0.039343|1.459585|1.599860|1.774193|1.734954|13.931643|2.198482|2.020741|2.073669|3.434961|3.100017|3.521812|2.784813|4.427733|3.483608|3.470280|4.180190|5.736224|5.820405|4.244133|51.063028|14.162979|8.478032|12.489004|5.590431|4.647219|17.663411|8.935842|5.938250|4.332085|4.003924|4.639467|6.788776|1.543170|0.033320|0.033183|0.031502|0.035638|0.035719|0.040955|0.037880|0.045245|0.042978|0.062571|0.062183|0.076387|0.081837|0.105494|0.194749|0.108498|0.144719|0.127731|0.122013|0.136457|0.103619|0.303678|0.500000| |1.056541|1.137774|1.671198|0.033591|1.248287|1.330264|1.453523|1.449942|11.483902|1.719730|1.593064|1.596257|2.697296|2.287867|2.624458|2.079364|3.497579|2.399293|2.453153|2.769888|3.143405|3.039491|2.630714|25.562097|6.116556|5.457799|6.853368|4.892241|4.654458|7.009134|8.913190|17.692069|8.923026|5.652250|4.960102|5.646666|1.328476|0.029130|0.029121|0.028052|0.031548|0.031723|0.035415|0.032595|0.037530|0.035525|0.046081|0.045694|0.054824|0.062092|0.075088|0.088883|0.069407|0.157827|0.107750|0.107339|0.157292|0.114817|0.226409|0.153285|0.500000| |0.932588|0.994610|1.447507|0.029161|1.082130|1.145587|1.232476|1.225529|9.522073|1.416638|1.334330|1.346612|2.301770|1.923249|2.120233|1.649853|2.798909|1.854564|1.895851|2.107968|2.334817|2.263055|2.004261|19.196404|4.786035|4.347288|4.616455|3.397326|3.124555|4.090493|5.633457|8.910422|17.717517|8.918499|5.646239|4.952692|1.136427|0.025731|0.025769|0.024877|0.027551|0.027741|0.030628|0.028517|0.032358|0.030795|0.038767|0.038821|0.044346|0.048954|0.058200|0.066395|0.053657|0.111908|0.082234|0.074888|0.095537|0.083044|0.113960|0.100204|0.215716|0.500000| |0.881321|0.932453|1.357297|0.027515|1.015476|1.079515|1.154117|1.139666|8.789338|1.318124|1.251902|1.276983|2.186009|1.842771|1.970790|1.519809|2.564827|1.710431|1.755148|1.969006|2.194003|2.111918|1.852841|18.739808|4.867381|4.350597|4.239966|3.033898|2.627535|3.543728|4.935029|5.644788|8.921295|17.718926|8.899078|5.642352|1.056469|0.024425|0.024401|0.023498|0.025788|0.025888|0.028536|0.026897|0.030480|0.029271|0.037314|0.037550|0.041544|0.045349|0.054834|0.062584|0.049572|0.098642|0.077427|0.064644|0.075696|0.069992|0.090726|0.091060|0.124238|0.214778|0.500000| |0.924954|0.976442|1.431402|0.029193|1.071276|1.150472|1.234213|1.210773|9.372949|1.426828|1.354223|1.394111|2.370234|2.047369|2.159107|1.663940|2.772777|1.907633|1.968794|2.262842|2.589978|2.459376|2.093207|23.651777|6.498798|5.484068|5.098987|3.422015|2.768162|4.093263|5.638015|4.962147|5.650930|8.903580|17.718384|8.940028|1.112471|0.025760|0.025620|0.024556|0.026972|0.026955|0.029897|0.028355|0.032439|0.031384|0.041711|0.041940|0.045985|0.050252|0.063109|0.074012|0.055431|0.108058|0.089985|0.069340|0.076762|0.071884|0.096270|0.109119|0.107646|0.124120|0.214651|0.500000| |1.045560|1.110887|1.646684|0.033644|1.231847|1.338095|1.456524|1.425784|11.225449|1.738173|1.627422|1.677382|2.809852|2.506151|2.699414|2.107714|3.446774|2.517422|2.617043|3.151588|3.866022|3.572841|2.842158|40.618935|12.154284|8.466936|8.810900|4.958731|3.667097|7.012650|8.906659|5.654092|4.952855|5.640881|8.926772|17.719670|1.290728|0.029174|0.028910|0.027595|0.030688|0.030565|0.034303|0.032357|0.037663|0.036442|0.051284|0.051046|0.058022|0.064790|0.086589|0.110230|0.073387|0.147255|0.127045|0.092595|0.099649|0.089592|0.140754|0.192464|0.124141|0.107522|0.124102|0.215632|0.500000| 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