Version2.0 2020-02-16T19:53:36Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOc1ccc(cc1)[C@@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4Cl)C)C(=O)OCCC C54623095 RHF 6-31G(d) (6D,7F) CCCCOc1ccc(cc1)[C@@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4Cl)C)C(=O)OCCC C01[X(C27H31Cl1N4O3S1)] 195 C1 610 CCCOC(=O)C1=C(C)Nc2n([C@@H]1c1ccc(cc1)OCCCC)nc(n2)SCc1ccccc1Cl CCCOC(=O)C1=C(C)Nc2n([C@@H]1c1ccc(cc1)OCCCC)nc(n2)SCc1ccccc1Cl CCCCOc1ccc(cc1)[C@H]2n3nc(SCc4ccccc4Cl)nc3NC(=C2C(=O)OCCC)C InChIKey=HDIXHYRGJKIYHN-XMMPIXPASA-N InChI=1S/C27H31ClN4O3S/c1-4-6-16-34-21-13-11-19(12-14-21)24-23(25(33)35-15-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-9-7-8-10-22(20)28/h7-14,24H,4-6,15-17H2,1-3H3,(H,29,30,31)/t24-/m1/s1 InChI=1/C27H31ClN4O3S/c1-4-6-16-34-21-13-11-19(12-14-21)24-23(25(33)35-15-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-9-7-8-10-22(20)28/h7-14,24H,4-6,15-17H2,1-3H3,(H,29,30,31)/t24-/m1/s1/f/h29H CCCCOc1ccc(cc1)[C@@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4Cl)C)C(=O)OCCC C01[X(C27H31Cl1N4O3S1)] 195 C01 610 CCCOC(=O)C1=C(C)Nc2n([C@@H]1c1ccc(cc1)OCCCC)nc(n2)SCc1ccccc1Cl CCCOC(=O)C1=C(C)N[C@@H]2N([C@@H]1c1ccc(cc1)OCCCC)N[C@H](N2)SCc1ccccc1Cl CCCCOc1ccc(cc1)[C@H]2N3N[C@H](N[C@@H]3NC(=C2C(=O)OCCC)C)SCc4ccccc4Cl InChIKey=QSGSPWUDHFECJE-STXQHDJLSA-N InChI=1S/C27H35ClN4O3S/c1-4-6-16-34-21-13-11-19(12-14-21)24-23(25(33)35-15-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-9-7-8-10-22(20)28/h7-14,24,26-27,29-31H,4-6,15-17H2,1-3H3/t24-,26+,27+/m1/s1 InChI=1/C27H35ClN4O3S/c1-4-6-16-34-21-13-11-19(12-14-21)24-23(25(33)35-15-5-2)18(3)29-26-30-27(31-32(24)26)36-17-20-9-7-8-10-22(20)28/h7-14,24,26-27,29-31H,4-6,15-17H2,1-3H3/t24-,26+,27+/m1/s1 3972.5206129940 -2339.8806459 1-A 33352.8168 139 471 610 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3213.6757 3227.5621 3239.3436 3239.9538 3255.8483 3258.7276 3265.3736 3267.0097 3268.0120 3275.3041 3292.3542 3302.5429 3311.7212 3313.4692 3337.7173 3357.1287 3360.2091 3363.6841 3374.8605 3378.3098 3389.7936 3397.4060 3403.7543 3404.4838 3899.5869 7.3280 6.2479 4.1624 4.4326 3.8537 5.8354 5.2054 4.0724 7.3825 3.2279 1.8307 2.8688 4.2012 4.8339 2.9591 5.5500 3.1933 4.1976 5.2116 1.2232 2.1226 4.0079 4.0630 5.0825 4.3201 5.8402 4.3574 5.0513 1.1307 1.1308 5.7874 5.3388 5.3730 4.9015 5.5790 5.5869 3.7319 5.1981 5.0353 6.1000 3.8345 3.2979 2.8750 2.1756 2.7598 4.2959 4.5612 3.6403 5.6071 4.3061 4.3811 4.8959 3.1342 4.8102 5.7129 5.3443 5.3551 6.9347 6.0862 4.5141 11.4688 5.0446 1.0757 3.0502 1.2183 9.3360 1.7130 6.7609 2.3991 5.4766 1.1534 6.3234 4.3204 6.3009 1.2997 4.9080 1.9655 2.0218 1.3565 1.9325 1.4475 1.5100 2.0549 1.1435 1.5162 1.3677 3.1494 1.4360 3.0553 3.8286 3.6966 2.2725 1.3344 2.6578 3.6612 2.1849 2.8326 1.5216 4.0517 2.8224 3.5631 1.9841 4.1910 1.7428 2.5972 2.3395 3.0602 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4623.76 4643.74 4660.69 4661.57 4684.44 4688.58 4698.14 4700.50 4701.94 4712.43 4736.96 4751.62 4764.83 4767.34 4802.23 4830.16 4834.59 4839.59 4855.67 4860.63 4877.16 4888.11 4897.24 4898.29 5610.64 0.586615 0.620596 0.621540 0.511732 -2339.294031 -2339.260050 -2339.259106 -2339.368914 3.682978D-04 MUNgauss RevisionA2.0 retrievium 16-Feb-2020 DUDE CCCCOc1ccc(cc1)[C@@H]2C(=C(Nc3n2nc(n3)SCc4ccccc4Cl)C)C(=O)OCCC C54623095 RHF 6-31G(d) (6D,10F) C1 526.180541 |X|Y|Z| 148.077251 101.317731 34.068328 79.954248 23 6 7 16 18 4 1 |36.858105| |12.465824|36.858105| |7.486880|12.454504|36.858105| |4.886226|7.515719|12.546339|36.858105| |3.883184|5.095631|8.067225|13.565365|73.516695| |3.082719|3.882454|5.223356|7.977238|25.121789|36.858105| |2.646131|3.143493|4.084619|5.248111|14.578325|13.696852|36.858105| |2.240819|2.613364|3.197788|3.980195|9.417301|7.934628|13.820857|36.858105| |2.132838|2.512537|2.965849|3.769714|8.173813|6.808544|7.898703|13.700322|36.858105| |2.346234|2.850507|3.335645|4.501322|9.246231|7.945726|6.917463|8.011329|13.771121|36.858105| |2.829702|3.593582|4.394076|6.692049|13.981766|13.728524|7.941656|6.888188|7.873256|13.730602|36.858105| |1.824345|2.099812|2.398613|2.906903|5.976869|4.408176|5.005236|7.528604|12.503292|7.507537|4.984406|36.858105| |1.740406|1.975120|2.264953|2.678949|5.579925|3.995750|4.820806|7.398058|8.959034|5.607469|4.191168|17.651939|0.500000| |1.719930|1.969802|2.206911|2.642335|5.254908|3.713709|3.990897|5.283409|7.465553|6.029875|4.276208|12.446658|0.247424|36.858105| |1.630184|1.863456|2.041624|2.426331|4.654896|3.185171|3.257353|4.001106|5.399859|5.091516|3.766934|7.537487|0.162271|14.167118|36.858105| |1.612104|1.845359|2.002705|2.380469|4.497432|3.051505|3.058776|3.679754|4.959522|4.925352|3.669385|6.648026|0.143669|8.070131|13.762808|53.358707| |1.647730|1.886591|2.066666|2.461660|4.715513|3.235019|3.299591|4.055892|5.521829|5.231869|3.844889|7.702667|0.165826|6.933574|7.997337|19.005196|36.858105| |1.737984|1.994111|2.233958|2.682077|5.325660|3.778443|4.047935|5.372641|7.737407|6.245748|4.377982|13.119103|0.258356|7.925694|6.986227|11.179405|14.499451|53.358707| |1.721035|1.960305|2.196469|2.598535|5.162429|3.571915|3.862826|4.903833|6.089510|5.113412|3.957628|7.657356|0.195737|5.135068|4.684204|7.480298|8.765254|19.070403|53.358707| |1.625654|1.843637|2.022032|2.366053|4.547273|3.043911|3.151197|3.753701|4.570796|4.259127|3.431414|5.481308|0.138028|4.325404|4.351417|7.618002|9.262383|12.553893|20.060233|36.858105| |1.580140|1.796538|1.945640|2.283614|4.308527|2.872651|2.900137|3.420255|4.315150|4.221795|3.342471|5.331585|0.127304|4.715547|5.269539|10.822785|14.618285|11.938026|11.552171|14.018015|53.358707| |1.537393|1.719212|1.863309|2.124754|4.024466|2.586988|2.660108|3.005443|3.378508|3.230785|2.812112|3.726371|0.099457|3.099400|3.111569|5.110805|5.052378|6.871487|9.727503|10.818959|9.412197|388.023441| |1.418595|1.579127|1.676177|1.895526|3.501250|2.211675|2.219393|2.458788|2.789337|2.771240|2.441786|3.080906|0.080761|2.761563|2.924035|4.940285|4.528871|5.474055|6.478186|6.913524|8.895202|74.096926|36.858105| |1.335548|1.469946|1.547130|1.719439|3.152679|1.950247|1.955142|2.120782|2.333289|2.322894|2.110743|2.510589|0.067082|2.273815|2.374359|3.837963|3.337806|4.211001|4.912951|4.629214|5.864006|49.694273|12.618173|36.858105| |1.372549|1.508391|1.573538|1.738650|3.148148|1.921700|1.898983|2.018260|2.199269|2.232787|2.075607|2.294076|0.060941|2.079171|2.158421|3.440207|2.933587|3.753673|4.325406|3.894040|4.953079|39.092648|7.604944|13.675937|36.858105| |1.288504|1.400807|1.451697|1.581044|2.851228|1.716216|1.698772|1.785699|1.912970|1.936459|1.827968|1.979157|0.053147|1.810893|1.868058|2.910434|2.423506|3.147151|3.569548|3.070783|3.930233|29.043063|5.024016|7.858724|13.789812|36.858105| |1.189815|1.285025|1.334517|1.444869|2.621464|1.576441|1.577306|1.665973|1.772205|1.769707|1.665008|1.854660|0.050403|1.709098|1.759941|2.714023|2.241398|2.923094|3.296625|2.798976|3.591677|26.034715|4.419494|6.800155|7.963236|13.752795|36.858105| |1.164178|1.259434|1.316547|1.431634|2.620003|1.589335|1.606283|1.719026|1.836279|1.809788|1.679801|1.959199|0.053601|1.808367|1.866928|2.889724|2.400604|3.116444|3.527080|3.029734|3.886290|28.499068|4.977598|7.861200|6.911907|7.957852|13.785531|36.858105| |1.226226|1.337262|1.406820|1.547150|2.847654|1.750109|1.773924|1.925032|2.086731|2.046661|1.867892|2.264627|0.061660|2.076356|2.157629|3.407984|2.895261|3.704650|4.254347|3.815336|4.870026|37.853261|7.456856|13.703066|8.015438|6.905504|7.957095|13.750951|36.858105| |1.168991|1.272775|1.346930|1.482240|2.755257|1.705185|1.753960|1.934117|2.098378|2.014896|1.813158|2.346961|0.064918|2.178089|2.268433|3.555068|2.998525|3.829957|4.326728|3.817932|4.957621|34.443805|6.086503|6.964130|4.754111|4.228589|4.786479|7.098209|10.902567|448.794386| |1.523146|1.725190|1.859012|2.168727|4.072910|2.687947|2.704396|3.155463|3.922426|3.872517|3.114885|4.799363|0.114658|7.434423|12.600894|10.746163|5.165219|6.141053|4.677260|3.325259|5.422453|18.230188|2.511281|2.097483|1.923425|1.690522|1.604685|1.697963|1.935001|16.390527|36.858105| |1.698029|1.925473|2.169738|2.552014|5.135333|3.545519|3.927378|5.056965|6.040523|4.888102|3.837044|7.620608|0.199921|12.880988|7.612446|6.905721|4.521741|6.977216|5.280177|3.308957|4.720023|18.156686|2.290439|1.947700|1.800036|1.596894|1.520422|1.603069|1.809599|15.283795|6.129125|36.858105| |1.721674|1.938727|2.217301|2.579472|5.334677|3.671942|4.326871|5.721828|6.002515|4.557974|3.740988|6.965520|0.213325|8.131286|5.341544|5.524184|3.897178|6.313442|5.091439|3.112571|4.246555|17.535559|2.166274|1.867063|1.731969|1.547351|1.478586|1.557024|1.746229|14.740590|4.439890|15.960547|73.516695| |1.620126|1.826070|2.022456|2.346366|4.589284|3.054510|3.242492|3.861284|4.456329|4.010490|3.323531|5.150607|0.134073|8.028362|6.736395|6.159112|3.811155|5.434473|4.285945|2.817631|4.123376|15.933267|2.076093|1.785649|1.659113|1.482956|1.416129|1.489482|1.668818|14.096782|6.971493|14.379514|15.342263|73.516695| |1.568298|1.745004|1.930408|2.190436|4.284171|2.765274|2.961563|3.389533|3.626381|3.288875|2.888540|3.937317|0.108162|5.166464|4.482233|4.603662|2.986367|4.293836|3.574547|2.363604|3.381585|13.854873|1.808324|1.585371|1.483362|1.341624|1.288353|1.351071|1.496578|12.636542|4.745758|8.119283|12.901902|23.754267|36.858105| |1.475129|1.630748|1.769671|1.983967|3.778035|2.379228|2.468298|2.729455|2.936083|2.792743|2.511825|3.141348|0.084752|4.022507|3.856315|4.119552|2.624696|3.632955|3.077830|2.093593|3.040813|12.490802|1.668353|1.474589|1.385755|1.260194|1.212334|1.268272|1.396854|11.774597|4.499701|5.265825|8.242443|14.249083|12.556807|36.858105| |1.405221|1.532865|1.656781|1.820449|3.456331|2.126629|2.213836|2.389934|2.482197|2.363802|2.190446|2.593824|0.071453|3.114332|2.960470|3.324029|2.185213|3.048517|2.659063|1.814262|2.594437|11.073993|1.479280|1.325497|1.252391|1.149204|1.110209|1.158319|1.264477|10.642782|3.310658|3.923432|6.675644|9.035707|7.557948|12.462970|36.858105| |17.552185|8.776846|5.460943|4.054209|5.809054|2.701314|2.338447|2.023323|1.953760|2.153672|2.551299|1.694460|0.044826|1.610961|1.542470|2.085254|1.558956|2.215547|2.192655|1.536461|2.045570|10.386187|1.362539|1.288552|1.329372|1.252989|1.156791|1.128396|1.184346|9.042286|1.452652|1.585732|2.838843|2.709820|1.475409|1.400459|1.336241|0.500000| |17.541728|8.777806|6.787515|4.516219|6.687989|2.994999|2.618612|2.215239|2.088208|2.268258|2.711402|1.791283|0.047784|1.671080|1.579192|2.135705|1.618813|2.335322|2.339478|1.622285|2.126493|11.023453|1.421771|1.345939|1.387585|1.307406|1.207453|1.178490|1.237402|9.441697|1.467138|1.644898|2.981452|2.771059|1.507532|1.411314|1.345286|0.301642|0.500000| |17.540817|8.777228|6.787233|4.515871|6.688307|2.992216|2.613965|2.211035|2.085056|2.266348|2.710327|1.788368|0.047652|1.697422|1.601086|2.134053|1.593778|2.294630|2.258803|1.559940|2.067520|10.438159|1.353643|1.272622|1.299643|1.220887|1.133677|1.114363|1.174330|9.050303|1.503558|1.697447|3.077132|2.891976|1.591064|1.498121|1.438308|0.301630|0.301702|0.500000| |8.866521|17.509358|8.846025|6.897179|8.380827|3.753109|3.027381|2.558363|2.500203|2.869332|3.596892|2.100276|0.054582|1.958051|1.868982|2.555362|1.932611|2.762000|2.738876|1.910774|2.531351|12.779671|1.656329|1.546020|1.600497|1.485452|1.352852|1.317855|1.397743|10.583091|1.723152|1.884211|3.348380|3.166942|1.685158|1.576904|1.473157|0.213013|0.210888|0.173036|0.500000| |8.866217|17.507825|8.845228|6.896137|8.381398|3.747685|3.020236|2.551934|2.494851|2.865540|3.594470|2.095627|0.054386|2.000520|1.905345|2.552590|1.890732|2.695838|2.612663|1.811748|2.434221|11.897141|1.551936|1.438358|1.470369|1.362791|1.252041|1.230498|1.309249|10.043949|1.782603|1.963829|3.484656|3.349834|1.803452|1.699953|1.596982|0.213013|0.173038|0.210862|0.303798|0.500000| |6.846038|8.823052|17.537209|8.944529|13.147854|4.921153|4.040204|3.153580|2.872651|3.152782|4.043377|2.338576|0.061930|2.176517|1.998269|2.628807|1.975642|2.915795|2.841463|1.911193|2.511517|12.461908|1.578679|1.457090|1.471396|1.361051|1.260378|1.249701|1.334721|10.349058|1.833932|2.185538|4.010739|3.643325|1.986296|1.819679|1.720253|0.140044|0.168609|0.203060|0.173304|0.211055|0.500000| |6.846207|8.823198|17.538933|8.946095|13.144427|4.933230|4.057197|3.165656|2.880776|3.157779|4.046722|2.345011|0.062219|2.122046|1.956370|2.631815|2.023610|3.000108|3.006220|2.028679|2.618734|13.488864|1.689098|1.569499|1.601999|1.483366|1.363526|1.341647|1.428985|10.942570|1.769294|2.077187|3.806483|3.411132|1.831228|1.670873|1.568063|0.140046|0.203071|0.168612|0.211070|0.173298|0.303421|0.500000| |4.526839|6.834348|8.837324|17.532137|16.533551|7.107360|4.802054|3.823566|3.755761|4.613410|6.794011|2.924286|0.074107|2.625561|2.447395|3.347434|2.577601|3.789066|3.726630|2.524676|3.303997|16.259909|2.039893|1.849796|1.888722|1.709430|1.546512|1.522624|1.647172|12.520279|2.170586|2.467960|4.380125|4.019320|2.081099|1.893157|1.725790|0.108353|0.119599|0.111152|0.205810|0.170108|0.174128|0.213106|0.500000| |4.528158|6.838429|8.839297|17.528055|16.529424|7.067176|4.771526|3.800837|3.736649|4.596733|6.776170|2.911141|0.073601|2.731362|2.531385|3.340925|2.479600|3.621510|3.423088|2.306523|3.094320|14.534076|1.852163|1.671656|1.682712|1.528057|1.399567|1.391016|1.506177|11.645628|2.294290|2.657067|4.701679|4.418342|2.319654|2.120370|1.937174|0.108388|0.111183|0.119610|0.170242|0.205933|0.213053|0.174158|0.300976|0.500000| |2.688254|3.108847|4.110471|4.866031|13.485646|8.960816|17.737823|8.897220|5.620487|4.976761|5.662175|4.078660|0.114334|3.368984|2.800403|3.586442|2.828639|4.630717|4.541618|2.772834|3.457764|17.212926|2.028540|1.816763|1.771232|1.602935|1.497677|1.522508|1.665871|13.240138|2.386328|3.422433|6.864308|5.142060|2.731649|2.295849|2.106285|0.065341|0.074875|0.074718|0.081882|0.081677|0.116499|0.117093|0.120700|0.119991|0.500000| |2.045367|2.329126|2.808362|3.329791|7.620376|5.653149|8.977779|17.727103|8.917580|5.678034|4.960721|7.004078|0.228597|4.998897|3.754320|4.658591|3.784531|6.852110|6.445257|3.596794|4.399978|20.841039|2.380605|2.069310|1.950993|1.737437|1.638890|1.704091|1.905417|15.591454|3.001428|5.041563|11.018124|6.749552|3.417367|2.710316|2.401695|0.051537|0.056567|0.056455|0.063181|0.063026|0.077972|0.078264|0.088802|0.088344|0.215192|0.500000| |2.196033|2.651281|2.982921|3.910709|7.466786|5.664881|4.973775|5.668430|8.918750|17.698834|8.981251|6.944654|0.140357|6.274112|5.923329|8.250296|6.133995|8.884396|6.921019|4.518065|6.546119|23.743341|2.968983|2.445488|2.343002|2.012005|1.829725|1.873173|2.133606|16.828578|4.427493|4.735220|7.392897|7.196311|3.231064|2.817911|2.350711|0.056845|0.058710|0.058676|0.075072|0.075004|0.078005|0.078080|0.114051|0.113803|0.107908|0.124353|0.500000| |3.038476|3.994111|4.666967|7.403952|12.468716|8.863424|5.634815|4.963759|5.636641|8.952158|17.762658|4.083565|0.096475|3.705163|3.445281|4.668332|3.514895|5.152635|4.715579|3.146277|4.269789|18.791673|2.363512|2.060170|2.052663|1.813502|1.641545|1.642345|1.815731|14.004841|2.953474|3.332566|5.667442|5.347837|2.639344|2.365003|2.074701|0.076825|0.079516|0.079555|0.113466|0.113584|0.115405|0.115279|0.225432|0.226396|0.124162|0.107720|0.218547|0.500000| |1.525388|1.735417|1.857279|2.179734|4.048007|2.679328|2.654545|3.093447|3.961508|4.040488|3.184343|4.942921|0.114169|5.854029|9.203198|26.097341|9.449912|8.131926|6.194513|4.945775|9.914318|25.240821|3.664599|2.855653|2.551512|2.160334|2.019129|2.154723|2.543379|21.359568|7.525725|4.178810|6.085626|7.027131|3.059400|2.842033|2.316075|0.040546|0.041210|0.041163|0.049219|0.049139|0.049715|0.049797|0.062782|0.062613|0.064596|0.080688|0.136521|0.085008|0.500000| |1.480468|1.659819|1.750547|1.994777|3.639639|2.299922|2.262379|2.483154|2.861323|2.934777|2.589893|3.101836|0.079278|2.814578|3.032965|5.236866|4.720518|5.497618|6.226291|6.543274|9.354547|56.410941|17.650891|8.921405|7.213707|4.763884|3.994262|4.214730|5.650546|37.330993|2.613425|2.314672|3.849859|3.756076|1.830054|1.697817|1.499034|0.039603|0.041048|0.039082|0.048643|0.045482|0.045540|0.048719|0.060162|0.054421|0.056961|0.065622|0.089326|0.070686|0.109503|0.500000| |1.350601|1.499383|1.592195|1.797771|3.332704|2.111532|2.136352|2.394350|2.731567|2.677463|2.330445|3.115220|0.082137|2.862770|3.088569|5.273714|4.755371|5.543580|6.277052|6.592376|9.405777|56.327658|17.692002|8.834061|5.655556|4.190726|3.939718|4.652420|6.974492|56.472849|2.672671|2.365994|3.944905|3.833066|1.869896|1.730132|1.527880|0.036055|0.037469|0.035994|0.043384|0.041152|0.041970|0.044348|0.053171|0.049178|0.054286|0.065000|0.080133|0.062399|0.111145|0.303122|0.500000| |1.472351|1.630193|1.696095|1.887127|3.390378|2.070465|2.017981|2.129370|2.337444|2.417816|2.260324|2.398403|0.062845|2.163553|2.248229|3.606393|3.083077|3.933987|4.514910|4.064914|5.200835|39.120248|7.132832|8.951575|17.713134|8.944901|5.659656|4.971836|5.685543|31.455493|1.992648|1.861525|3.173442|3.046452|1.526021|1.424567|1.283629|0.039623|0.041302|0.038518|0.048405|0.044108|0.043727|0.047909|0.057584|0.050663|0.051936|0.056449|0.070925|0.062645|0.073999|0.218746|0.144771|0.500000| |1.303647|1.412971|1.453797|1.573666|2.814160|1.677599|1.647381|1.711312|1.822428|1.862185|1.781849|1.857988|0.049775|1.704421|1.753053|2.707567|2.229948|2.913228|3.270679|2.755865|3.546652|25.030262|4.108195|5.615937|8.934498|17.724563|8.902874|5.651865|4.969465|27.407588|1.595107|1.513172|2.611579|2.507322|1.281675|1.207376|1.104920|0.035339|0.036822|0.034186|0.041831|0.038102|0.037731|0.041345|0.047453|0.042164|0.043319|0.046051|0.053606|0.049485|0.055725|0.113219|0.096812|0.215956|0.500000| |1.136446|1.219607|1.261370|1.354785|2.450956|1.462385|1.462621|1.534233|1.618660|1.617266|1.534495|1.683338|0.045918|1.559871|1.600978|2.439737|1.990165|2.612541|2.915597|2.423820|3.126447|21.752056|3.537420|4.914567|5.652156|8.895613|17.723443|8.944349|5.657938|31.771602|1.471864|1.401787|2.432045|2.332098|1.201744|1.134869|1.045034|0.030770|0.032091|0.030099|0.035641|0.032986|0.033149|0.035851|0.040169|0.036446|0.038809|0.042015|0.046247|0.042126|0.050395|0.090879|0.089807|0.124246|0.213881|0.500000| |1.097980|1.181969|1.235369|1.336352|2.450431|1.481897|1.505459|1.611134|1.709434|1.674076|1.556460|1.830042|0.050479|1.701796|1.752606|2.680079|2.200206|2.872367|3.215553|2.705969|3.492831|24.440393|4.068302|5.625209|4.974861|5.649220|8.903876|17.749859|8.946877|54.868125|1.607336|1.523472|2.639441|2.526619|1.297127|1.220725|1.119984|0.029579|0.030878|0.029292|0.034216|0.032108|0.032722|0.034965|0.039240|0.036122|0.039847|0.044665|0.047937|0.042189|0.055547|0.097112|0.110662|0.107889|0.124039|0.214862|0.500000| |1.463116|1.652705|1.759586|2.040026|3.772993|2.455033|2.436332|2.788602|3.423833|3.474015|2.854449|4.087493|0.098626|5.583564|8.900315|10.657776|5.038233|5.628411|4.436994|3.290913|5.562601|18.312848|2.613463|2.176669|1.991725|1.746210|1.656302|1.754312|2.004311|16.962822|17.585136|4.585760|6.357072|8.891854|3.770011|3.721352|2.878466|0.038998|0.039179|0.039941|0.046191|0.047445|0.047909|0.046617|0.057338|0.059814|0.060129|0.073575|0.112379|0.076784|0.250745|0.076377|0.078079|0.057290|0.045690|0.042124|0.046058|0.500000| |1.591860|1.810626|1.946289|2.278303|4.244897|2.786538|2.755132|3.142883|3.859282|3.948035|3.249650|4.385085|0.104716|6.533100|8.867009|8.287403|4.347841|5.397584|4.214067|2.965016|4.697706|16.622349|2.279717|1.932489|1.799335|1.592552|1.506401|1.578685|1.780118|14.871156|17.642155|6.008350|7.789549|13.420143|5.183689|5.136130|3.650035|0.042185|0.042282|0.043799|0.049946|0.052484|0.053604|0.050906|0.062749|0.068070|0.067454|0.081801|0.125030|0.086635|0.160220|0.066367|0.066280|0.052102|0.042081|0.038576|0.041520|0.301348|0.500000| |1.432594|1.606203|1.732913|1.993187|3.769372|2.460720|2.526738|2.952720|3.530141|3.356855|2.764143|4.369353|0.110570|6.571289|8.857771|8.226189|4.425100|5.493300|4.312204|3.041918|4.812789|17.048072|2.339887|1.979902|1.806868|1.602025|1.536450|1.635253|1.855229|15.959121|17.640008|6.178070|8.089228|13.396461|5.261980|5.057918|3.645282|0.037951|0.038445|0.039475|0.044364|0.045957|0.047830|0.046040|0.055031|0.058191|0.062945|0.080186|0.102092|0.072287|0.161926|0.066480|0.069734|0.051465|0.041920|0.039296|0.043348|0.301435|0.303369|0.500000| |1.682353|1.875749|2.097047|2.380401|4.708429|3.030169|3.264458|3.660308|3.781402|3.438538|3.097967|3.864527|0.106251|4.762407|4.009038|4.250835|2.827727|4.146273|3.499496|2.290914|3.226912|13.530739|1.749246|1.541253|1.453257|1.317315|1.260848|1.314722|1.450298|12.130052|4.044704|7.292675|13.106554|16.523338|17.617113|8.806519|6.836627|0.043703|0.044782|0.047714|0.049842|0.053951|0.060625|0.054952|0.061845|0.070365|0.084145|0.101822|0.091264|0.078009|0.078025|0.049280|0.049731|0.041694|0.035103|0.032728|0.035007|0.091782|0.124440|0.117702|0.500000| |1.482858|1.636061|1.812250|2.034564|4.005106|2.570307|2.812910|3.251712|3.394905|2.996614|2.637724|3.785205|0.108836|4.756672|4.083783|4.310601|2.865858|4.166883|3.525919|2.322934|3.282844|13.730011|1.782703|1.569470|1.460831|1.325308|1.280653|1.349599|1.493837|12.735368|4.203027|7.266297|13.028077|16.509975|17.611507|8.804856|6.828788|0.038744|0.039861|0.041797|0.043967|0.046588|0.051786|0.048250|0.053895|0.059001|0.073222|0.094271|0.081080|0.066641|0.079869|0.049601|0.051431|0.041474|0.035073|0.033217|0.036150|0.095196|0.119930|0.133851|0.302522|0.500000| |1.386284|1.528955|1.648684|1.845400|3.494724|2.201843|2.281459|2.544389|2.774468|2.636812|2.344909|3.061180|0.082676|3.971376|3.984549|4.265638|2.676252|3.630999|3.072057|2.115807|3.110817|12.619433|1.704211|1.503559|1.404452|1.276408|1.232366|1.295424|1.430130|12.155580|4.925614|4.933434|7.527116|13.031412|8.923123|17.539949|8.833095|0.036704|0.036969|0.038916|0.041366|0.044129|0.046722|0.043475|0.049453|0.054441|0.058877|0.070505|0.075104|0.061621|0.083140|0.048072|0.049545|0.039941|0.033857|0.032016|0.034706|0.113990|0.150511|0.165214|0.173701|0.212097|0.500000| |1.544949|1.718971|1.854291|2.091822|3.933217|2.471134|2.503734|2.727257|2.975254|2.924353|2.651351|3.104876|0.081577|3.978800|3.919754|4.211796|2.647218|3.619903|3.056317|2.092781|3.065223|12.470480|1.675792|1.479383|1.398308|1.269753|1.215153|1.265005|1.392417|11.631548|4.683320|4.946611|7.546493|13.059162|8.928773|17.542577|8.831465|0.040833|0.040790|0.043549|0.046144|0.050227|0.052899|0.048184|0.055384|0.062980|0.064130|0.073524|0.083027|0.070288|0.081145|0.047806|0.048048|0.040154|0.033896|0.031589|0.033705|0.108403|0.160012|0.137590|0.212065|0.173741|0.303182|0.500000| |1.479860|1.612049|1.749447|1.913438|3.642306|2.222135|2.311659|2.455065|2.504816|2.395412|2.258878|2.546278|0.070167|2.985373|2.784411|3.157459|2.103390|2.967757|2.606468|1.767626|2.504232|10.835105|1.437832|1.292334|1.227681|1.128319|1.087350|1.129722|1.229818|10.281134|3.018347|3.767002|6.612779|8.294168|6.836676|8.765742|17.543485|0.038968|0.039236|0.042345|0.042705|0.046775|0.050941|0.045799|0.049862|0.056781|0.061550|0.068302|0.065298|0.059387|0.060709|0.040531|0.040966|0.035052|0.030228|0.028469|0.030304|0.073232|0.093050|0.089481|0.202391|0.167931|0.172640|0.210279|0.500000| |1.338090|1.451584|1.572974|1.718666|3.284535|2.019464|2.132714|2.318765|2.381093|2.228937|2.059480|2.522172|0.070876|2.982526|2.807631|3.180212|2.118074|2.974156|2.616491|1.781632|2.529179|10.933596|1.455825|1.308500|1.231904|1.133049|1.099740|1.151394|1.255766|10.640169|3.080714|3.761745|6.601101|8.288036|6.835796|8.764362|17.542487|0.035317|0.035786|0.038032|0.038818|0.041711|0.045335|0.041682|0.045384|0.050260|0.056846|0.065858|0.061211|0.053856|0.061536|0.040696|0.041889|0.034910|0.030201|0.028783|0.031031|0.074892|0.091055|0.095950|0.168169|0.202100|0.210241|0.172611|0.301551|0.500000| 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