Version2.1 2021-01-14T20:20:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)C[C@H]1NN[C@@H](S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)OC C63557688 RHF 6-31G(d) (6D,7F) CC(C)(C)C[C@H]1NN[C@@H](S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)OC C01[X(C23H34N5O3S1)] 192 C1 552 COc1ccc2=[NH+]CC(=c2c1)CCN1C[C@@H](CC1=O)C(=O)N[C@H]1NN[C@@H](S1)CC(C)(C)C COc1ccc2=[NH+]CC(=c2c1)CCN1C[C@@H](CC1=O)C(=O)N[C@H]1NN[C@@H](S1)CC(C)(C)C COC1=CC2=C(CCN3C[C@@H](CC3=O)C(=O)N[C@H]4NN[C@H](CC(C)(C)C)S4)C[NH+]=C2C=C1 InChIKey=GOJDINJEVIJCSV-MPHOGZCYSA-O InChI=1S/C23H33N5O3S/c1-23(2,3)11-19-26-27-22(32-19)25-21(30)15-9-20(29)28(13-15)8-7-14-12-24-18-6-5-16(31-4)10-17(14)18/h5-6,10,15,19,22,26-27H,7-9,11-13H2,1-4H3,(H,25,30)/p+1/t15-,19+,22+/m1/s1 InChI=1/C23H33N5O3S/c1-23(2,3)11-19-26-27-22(32-19)25-21(30)15-9-20(29)28(13-15)8-7-14-12-24-18-6-5-16(31-4)10-17(14)18/h5-6,10,15,19,22,26-27H,7-9,11-13H2,1-4H3,(H,25,30)/p+1/t15-,19+,22+/m1/s1/fC23H34N5O3S/h24-25H/q+1 CC(C)(C)C[C@H]1NN[C@@H](S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)OC C01[X(C23H34N5O3S1)] 192 C01 552 COc1ccc2=[NH+]CC(=c2c1)CCN1C[C@@H](CC1=O)C(=O)N[C@H]1NN[C@@H](S1)CC(C)(C)C CO[C]1[CH]=[CH][C]2[C]([CH]=1)=C(CCN1C[C@@H](CC1=O)C(=O)N[C@H]1NN[C@@H](S1)CC(C)(C)C)C[NH]2 COC1=CC2=C(CCN3C[C@@H](CC3=O)C(=O)N[C@H]4NN[C@H](CC(C)(C)C)S4)CN[C]2C=C1 InChIKey=PFGFCUUEXVRXOG-MPHOGZCYSA-N InChI=1S/C23H34N5O3S/c1-23(2,3)11-19-26-27-22(32-19)25-21(30)15-9-20(29)28(13-15)8-7-14-12-24-18-6-5-16(31-4)10-17(14)18/h5-6,10,15,19,22,24,26-27H,7-9,11-13H2,1-4H3,(H,25,30)/t15-,19+,22+/m1/s1 InChI=1/C23H34N5O3S/c1-23(2,3)11-19-26-27-22(32-19)25-21(30)15-9-20(29)28(13-15)8-7-14-12-24-18-6-5-16(31-4)10-17(14)18/h5-6,10,15,19,22,24,26-27H,7-9,11-13H2,1-4H3,(H,25,30)/t15-,19+,22+/m1/s1/f/h25H 3232.2878765698 -1784.8900652 1-A 34968.0297 123 429 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.98993 -20.70474 -20.62915 -20.60864 -15.77460 -15.69216 -15.67344 -15.65135 -15.64410 -11.48015 -11.44554 -11.43728 -11.43555 -11.43479 -11.43422 -11.41299 -11.39384 -11.38972 -11.38710 -11.38702 -11.37381 -11.36975 -11.36616 -11.36321 -11.34645 -11.34535 -11.33175 -11.28453 -11.27424 -11.25714 -11.25369 -11.25206 -9.00145 -6.68395 -6.68301 -6.68078 -1.53753 -1.49614 -1.48016 -1.47776 -1.39642 -1.37176 -1.31955 -1.29240 -1.26172 -1.20211 -1.17672 -1.16186 -1.16080 -1.14078 -1.12562 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5213.41 5464.55 5572.13 5575.44 0.607442 0.637834 0.638779 0.540479 -1784.282624 -1784.252231 -1784.251287 -1784.349586 3.296965D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE CC(C)(C)C[C@H]1NN[C@@H](S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=c4cc(ccc4=[NH+]C3)OC C63557688 RHF 6-31G(d) (6D,10F) C1 460.238237 |X|Y|Z| 47.012132 25.353424 179.205562 59.776803 23 6 7 16 17 5 1 |36.858105| |12.405015|36.858105| |7.595981|12.392034|36.858105| |7.628452|12.390702|7.631838|36.858105| |7.452169|12.320603|7.497596|7.684310|36.858105| |6.028771|7.205067|5.972526|4.862140|12.454123|36.858105| |5.809955|6.807811|6.778653|4.499080|8.768325|17.537700|0.500000| |4.179814|4.934255|4.386643|3.891933|7.808144|13.040116|0.249807|53.358707| |3.522108|3.818205|3.535895|3.092675|5.174693|8.083869|0.194226|18.465230|53.358707| |3.706164|3.739717|3.297809|3.044333|4.898866|7.238249|0.165419|11.597767|17.982834|36.858105| |3.422464|3.480047|3.001817|2.957358|4.580861|5.965101|0.133091|10.010660|12.594789|17.749927|0.500000| |5.623172|5.198594|4.248179|3.881251|6.673920|10.346012|0.220254|10.102081|9.846875|10.303899|0.217333|388.023441| |3.144362|3.057486|2.803244|2.542128|3.679036|4.994584|0.128570|7.348568|10.850739|13.292489|0.257885|50.003041|53.358707| |2.617777|2.554224|2.351942|2.204765|3.012135|3.782382|0.097606|5.710708|7.767890|7.784424|0.208125|34.745817|19.160671|36.858105| |2.457311|2.436944|2.220204|2.151469|2.907807|3.517843|0.088611|5.515687|7.159219|6.785931|0.217555|30.748947|11.508935|15.905159|73.516695| |2.304977|2.214218|2.082883|1.930384|2.506431|3.050970|0.081878|4.405580|5.615749|5.017693|0.131190|27.142799|10.647487|12.503317|14.301295|36.858105| |2.366832|2.257994|2.157356|1.944997|2.520412|3.107228|0.085736|4.374702|5.571262|4.818225|0.118932|27.487666|10.279624|8.800149|10.460829|17.568835|0.500000| |2.196062|2.066345|1.921417|1.829663|2.291432|2.688597|0.071563|3.764096|4.502705|4.078201|0.111722|24.355361|7.563203|7.513130|11.028554|12.365134|0.245258|36.858105| |1.874747|1.782040|1.681326|1.600733|1.952184|2.244903|0.060502|3.164651|3.716855|3.163977|0.087245|19.267285|5.486227|5.161497|8.337547|7.908120|0.181478|12.607402|36.858105| |1.734959|1.640614|1.549429|1.488732|1.773563|2.002184|0.054076|2.790319|3.195488|2.687366|0.074590|16.997298|4.454887|3.952007|6.601682|5.321842|0.132360|7.826726|15.826037|73.516695| |1.800017|1.740138|1.659541|1.562163|1.921026|2.224254|0.060335|3.203509|3.825836|3.142145|0.086106|18.497540|5.453649|5.227565|8.548086|8.118998|0.186745|8.191772|14.082628|14.964925|53.358707| |1.972575|1.930506|1.839891|1.713972|2.175087|2.580589|0.069719|3.816636|4.760965|3.897775|0.105692|21.419975|7.119960|7.510596|11.740723|12.369956|0.245645|7.869902|8.099876|9.676431|17.799819|36.858105| |1.586093|1.544224|1.483385|1.403133|1.691083|1.923204|0.052387|2.774935|3.239859|2.578511|0.071305|15.519659|4.240066|3.837398|6.613865|5.077532|0.126547|5.162746|7.878067|12.223249|17.984382|7.445275|36.858105| |1.494590|1.447943|1.405300|1.316266|1.562420|1.767341|0.048774|2.508829|2.890177|2.272405|0.061817|14.139453|3.693810|3.159614|5.295199|4.110623|0.111547|4.214146|6.020079|10.619802|10.494507|5.236028|12.302986|36.858105| |1.342272|1.303690|1.266657|1.197623|1.398109|1.557845|0.042928|2.207884|2.497634|1.946479|0.053485|12.300409|3.069372|2.577461|4.435196|3.152831|0.085027|3.290745|4.400840|8.371661|6.890739|3.830559|7.529667|12.712435|36.858105| |1.288037|1.245796|1.204470|1.151780|1.330082|1.467653|0.040256|2.068158|2.312421|1.816028|0.050328|11.630558|2.827650|2.362617|4.114555|2.827965|0.075476|3.075216|4.067090|8.311556|5.834303|3.289028|5.787006|7.456736|14.073238|36.858105| |1.325191|1.271813|1.220408|1.177825|1.354909|1.489353|0.040632|2.084170|2.318834|1.849576|0.051560|11.962171|2.877782|2.409887|4.207393|2.879626|0.075996|3.303569|4.422317|9.944393|5.780684|3.217350|5.215635|5.911067|7.457762|13.186897|36.858105| |1.236873|1.186795|1.137756|1.107366|1.257790|1.368111|0.037268|1.907927|2.097086|1.667257|0.046713|10.919483|2.548550|2.104369|3.711057|2.436216|0.064456|2.779449|3.490621|7.607024|4.512124|2.656582|3.870434|4.191206|5.155718|7.987370|14.177197|36.858105| |1.136314|1.096620|1.056604|1.027696|1.159605|1.255122|0.034285|1.754611|1.918173|1.505612|0.042156|9.878015|2.275995|1.860195|3.295201|2.116598|0.056434|2.336573|2.840484|5.853302|3.811278|2.324492|3.301460|3.616032|4.667141|6.917182|7.825200|13.061926|36.858105| |1.110326|1.077283|1.043450|1.008289|1.140878|1.238000|0.033938|1.738578|1.906094|1.481386|0.041324|9.658831|2.240189|1.828297|3.233692|2.081802|0.055833|2.239167|2.718136|5.421103|3.785158|2.329589|3.377670|3.813664|5.299216|7.668648|6.569427|7.676887|14.116340|36.858105| |1.175927|1.142844|1.109412|1.063155|1.215644|1.330603|0.036562|1.876490|2.078089|1.612288|0.044757|10.396409|2.467519|2.030702|3.567087|2.356887|0.063338|2.503997|3.124017|6.155187|4.503472|2.709014|4.250088|5.119227|8.448468|13.217329|7.595545|6.797621|8.088581|13.418015|36.858105| |1.156158|1.129946|1.103270|1.049863|1.203295|1.320100|0.036426|1.869875|2.075492|1.591317|0.043975|10.209854|2.431590|1.990849|3.488621|2.300475|0.062374|2.368453|2.901798|5.486477|4.339946|2.684068|4.126028|5.072265|8.272551|8.426491|5.271998|4.647950|5.264043|7.709015|14.496103|53.358707| |1.094130|1.072403|1.049910|0.999778|1.139387|1.244312|0.034379|1.762638|1.945193|1.481400|0.040954|9.546533|2.242355|1.819569|3.199174|2.069886|0.056319|2.112932|2.524796|4.725061|3.753401|2.388920|3.445223|4.064525|5.823272|5.911588|4.219181|3.942365|4.644539|6.803804|9.269221|26.016847|0.500000| |1.243358|1.216756|1.190675|1.122441|1.301860|1.442942|0.039934|2.052286|2.305683|1.763999|0.048412|11.182456|2.734252|2.255356|3.909220|2.663874|0.072676|2.682223|3.345894|6.136190|5.261696|3.209934|5.274570|7.196944|12.709305|8.205853|5.078606|4.106335|4.161308|5.197426|8.384691|17.918632|0.243742|36.858105| |1.234358|1.178507|1.124325|1.104093|1.244292|1.344476|0.036498|1.863839|2.032459|1.626910|0.045790|10.783005|2.466099|2.021990|3.578891|2.304441|0.060833|2.678345|3.249139|7.137062|4.048163|2.438971|3.285427|3.417266|3.874438|5.204056|7.958466|14.328983|8.224146|5.302353|4.627578|4.783282|0.086421|3.201543|73.516695| |1.334628|1.264478|1.198534|1.181708|1.335133|1.444692|0.039071|1.991729|2.173245|1.764718|0.049766|11.761951|2.688472|2.210504|3.897277|2.530024|0.066375|3.058808|3.690701|8.485800|4.349878|2.605348|3.359480|3.391506|3.574446|4.458129|6.721465|8.050958|5.225206|3.943279|3.747417|4.097861|0.074139|2.892843|23.950241|36.858105| |17.546086|8.703496|6.930280|5.501029|6.617388|6.511261|0.187296|5.924946|5.196582|4.073426|0.100436|46.794643|4.795387|2.856009|4.649341|2.529224|0.073334|2.389277|2.020101|3.303404|2.635599|2.130096|1.690961|1.598593|1.424178|1.360410|1.398213|1.297679|1.188252|1.162045|1.236115|1.655282|0.031887|1.314577|2.295302|1.398506|0.500000| |17.550458|8.735994|5.494626|6.863030|6.855649|5.576922|0.138503|5.535981|4.720337|3.813787|0.100878|41.699310|4.374186|2.707972|4.570570|2.364050|0.066472|2.289825|1.938832|3.197535|2.508474|2.011263|1.619066|1.515680|1.362739|1.314260|1.360999|1.272787|1.165090|1.133341|1.197120|1.594427|0.030745|1.256207|2.268940|1.387449|0.301335|0.500000| |17.545485|8.795125|6.898870|7.054548|5.451881|4.551845|0.126919|4.635691|4.017469|3.073065|0.079681|30.653750|3.674841|2.300269|3.851095|2.070611|0.059259|1.993988|1.726885|2.869006|2.254638|1.793617|1.472831|1.399764|1.265231|1.218189|1.253775|1.175725|1.083585|1.058412|1.116898|1.494462|0.028933|1.175974|2.090730|1.269102|0.302874|0.301717|0.500000| |6.919598|8.781442|17.549561|7.022016|5.466506|4.532311|0.139483|4.789847|4.032387|2.825900|0.072313|25.476996|3.366353|2.111956|3.549316|1.903950|0.054879|1.779453|1.570666|2.594965|2.101840|1.691622|1.388927|1.325291|1.200963|1.146176|1.163003|1.088627|1.013035|0.999448|1.058982|1.432101|0.027863|1.131033|1.917340|1.148864|0.171721|0.140689|0.206592|0.500000| |5.495086|8.734837|17.531996|6.905882|6.893745|5.470055|0.168806|5.976887|4.731104|3.124255|0.079980|26.772317|3.602909|2.250360|3.820467|1.988041|0.056879|1.821506|1.607946|2.632794|2.179985|1.782248|1.441281|1.362891|1.232584|1.170225|1.180465|1.101502|1.027082|1.017496|1.082062|1.469623|0.028609|1.164966|1.930405|1.152061|0.140786|0.122426|0.140721|0.301952|0.500000| |6.890740|8.687317|17.548463|5.498530|6.670813|6.464420|0.235946|6.275631|5.236851|3.548370|0.086912|32.738204|4.164485|2.518578|4.148983|2.241831|0.065441|2.043313|1.781363|2.902661|2.400019|1.965176|1.567331|1.489856|1.334077|1.262066|1.275345|1.183198|1.096939|1.085245|1.158826|1.571544|0.030469|1.252469|2.071340|1.242139|0.206680|0.140554|0.169727|0.303052|0.301198|0.500000| |6.943245|8.740095|5.510371|17.544196|6.975294|4.560740|0.112223|5.123875|4.119678|3.069726|0.084946|27.768974|3.474786|2.238066|3.925968|1.948805|0.053983|1.868183|1.628700|2.699466|2.149577|1.726730|1.417138|1.322817|1.205593|1.164367|1.196448|1.127370|1.044037|1.020782|1.073575|1.437651|0.027913|1.126186|2.005967|1.211762|0.140405|0.205228|0.174541|0.142408|0.140532|0.122314|0.500000| |5.507656|8.733003|6.917474|17.538104|7.027683|4.552412|0.117746|5.276788|4.135396|2.897027|0.078759|24.827898|3.288226|2.115035|3.702714|1.849222|0.051596|1.739406|1.534115|2.534022|2.055575|1.662824|1.364518|1.278357|1.166387|1.119854|1.140176|1.072595|0.999291|0.983477|1.037355|1.398779|0.027243|1.098572|1.896196|1.136157|0.122352|0.140182|0.142564|0.172569|0.205855|0.140279|0.301476|0.500000| |6.951562|8.760109|6.982920|17.549192|5.531693|3.985708|0.107080|4.419711|3.657731|2.662580|0.071527|23.869584|3.116389|2.004453|3.461048|1.786373|0.050272|1.706913|1.505225|2.505619|1.994782|1.592926|1.322975|1.250411|1.142130|1.100977|1.126516|1.062415|0.987896|0.968809|1.018939|1.369149|0.026651|1.072467|1.886448|1.134626|0.141952|0.168982|0.212324|0.212259|0.171139|0.141992|0.301669|0.301735|0.500000| |5.486118|8.900056|7.029819|7.099798|17.496313|9.023858|0.203621|10.380387|6.683212|4.318962|0.114435|36.305694|4.508907|2.781947|4.848150|2.329396|0.064858|2.114335|1.829792|2.959706|2.480138|2.067474|1.620831|1.497781|1.346928|1.279217|1.295713|1.204884|1.116991|1.103278|1.175465|1.590415|0.030831|1.263305|2.113012|1.267251|0.137884|0.140204|0.123460|0.143520|0.213154|0.168638|0.172438|0.215231|0.144002|0.500000| |6.690096|8.775432|5.481845|7.200252|17.572989|8.951984|0.174544|9.447596|6.610729|4.938511|0.137045|46.935720|4.985868|3.066830|5.385038|2.521764|0.069176|2.343635|1.986175|3.216397|2.638465|2.185025|1.705027|1.563423|1.402889|1.341989|1.375043|1.279956|1.177195|1.153524|1.225181|1.643289|0.031725|1.301346|2.261002|1.369926|0.159721|0.200244|0.139328|0.122957|0.142129|0.136842|0.216500|0.179675|0.144198|0.304575|0.500000| |3.768321|4.637917|4.399942|3.777864|6.908989|9.208157|0.219104|25.926351|13.087908|6.081729|0.152576|38.689722|5.999411|3.603414|6.257665|2.887167|0.080149|2.472029|2.128728|3.359867|2.967568|2.581792|1.918857|1.746635|1.547774|1.447164|1.448682|1.329865|1.231360|1.225725|1.322355|1.803236|0.034836|1.452680|2.303451|1.374866|0.107246|0.099562|0.087844|0.097737|0.129546|0.127375|0.099066|0.108844|0.088154|0.218996|0.163712|0.500000| |3.471825|3.715022|3.612550|2.959032|4.741286|7.462632|0.211739|12.993893|25.687624|9.525803|0.183953|47.104440|10.409674|5.342497|8.240249|4.143023|0.120085|3.262354|2.720429|4.155672|3.841098|3.507139|2.389666|2.166137|1.860289|1.709719|1.704087|1.535568|1.406690|1.403141|1.536145|2.098065|0.040135|1.722430|2.634536|1.580020|0.107655|0.092363|0.081781|0.084298|0.098035|0.113625|0.078886|0.080445|0.072670|0.124971|0.118424|0.225106|0.500000| |3.218753|3.060052|2.865256|2.508749|3.549637|4.832790|0.131943|6.583155|9.059247|9.121071|0.181605|48.580604|26.057043|9.356348|10.838862|7.468644|0.238734|5.430186|3.989458|5.812762|5.340163|4.928094|3.053405|2.743515|2.263902|2.077580|2.111227|1.865246|1.664921|1.640207|1.810101|2.431282|0.045736|2.015232|3.204932|1.966296|0.103211|0.089763|0.077329|0.070695|0.074174|0.088757|0.069164|0.065707|0.063523|0.088097|0.095743|0.112727|0.201629|0.500000| |2.209611|2.084058|1.908880|1.864076|2.330786|2.694967|0.070286|3.805330|4.478433|4.138457|0.119495|24.554701|7.222130|7.338973|12.363925|8.729388|0.174972|17.557979|9.036454|12.004141|8.849537|6.477521|4.575590|3.660771|3.001850|2.878875|3.140003|2.707161|2.280359|2.165041|2.380935|3.044503|0.055799|2.482712|4.723947|3.064165|0.065876|0.064927|0.055548|0.049049|0.050367|0.055744|0.053443|0.049231|0.048088|0.059693|0.067391|0.069008|0.087432|0.135380|0.500000| |2.301002|2.120813|1.970561|1.868150|2.312678|2.704046|0.072567|3.666538|4.297471|3.917050|0.104800|25.080049|7.110257|6.116620|8.850385|8.593277|0.220747|17.619023|8.852860|12.379142|8.223981|5.708987|4.256936|3.778380|3.019781|2.864333|3.116464|2.664590|2.239798|2.131002|2.355013|3.021255|0.055306|2.484854|4.639078|3.023170|0.070259|0.066749|0.058267|0.050989|0.051348|0.058429|0.052949|0.048882|0.048702|0.058626|0.065497|0.066694|0.087651|0.151467|0.301549|0.500000| |1.920221|1.895598|1.834866|1.677844|2.127926|2.536852|0.069738|3.767308|4.725853|3.677450|0.097115|20.398442|6.566994|6.165908|9.519430|8.700359|0.224727|5.733984|5.975080|7.918827|12.345538|17.591131|6.661261|5.213674|3.798498|3.159283|2.984888|2.479296|2.214611|2.259833|2.653375|3.675507|0.067212|3.303449|4.009209|2.364569|0.057769|0.053730|0.048663|0.046851|0.049629|0.054803|0.046541|0.045440|0.043414|0.056672|0.058579|0.071943|0.099547|0.130809|0.133501|0.129181|0.500000| |1.933919|1.914192|1.811367|1.714862|2.182122|2.564054|0.068224|3.884640|4.825473|3.914946|0.110726|20.950300|6.762444|7.372580|13.784232|8.762648|0.175679|6.474714|6.481801|8.436366|12.311416|17.600174|6.572930|4.491019|3.524190|3.097779|3.038506|2.558683|2.261538|2.266103|2.604638|3.512945|0.064363|3.026585|4.202464|2.510122|0.057330|0.055072|0.048732|0.046129|0.049084|0.053244|0.048235|0.046482|0.044054|0.058070|0.061478|0.073206|0.095698|0.122969|0.171275|0.133183|0.300205|0.500000| |1.553254|1.528975|1.474733|1.391646|1.684397|1.916631|0.052233|2.805812|3.289398|2.561465|0.071025|15.175054|4.153375|3.747657|6.604445|4.695726|0.117302|4.400724|5.816419|8.924463|12.579443|7.303435|17.601765|8.755846|6.447424|4.914893|4.261164|3.351065|2.994054|3.143784|3.935760|5.481509|0.095564|5.240466|5.105102|2.882121|0.045843|0.043879|0.040015|0.038249|0.040066|0.043247|0.038950|0.037817|0.036364|0.045211|0.047055|0.054346|0.067327|0.082086|0.111673|0.101546|0.199045|0.195823|0.500000| |1.528400|1.485443|1.417953|1.360641|1.623602|1.824578|0.049336|2.626839|3.022500|2.423414|0.068138|14.748717|3.898763|3.517719|6.271340|4.418043|0.108074|4.834682|7.350580|12.988371|12.550073|5.877796|17.598889|8.792364|7.272752|6.478865|6.235831|4.534367|3.747846|3.738487|4.624577|5.772166|0.097768|5.026050|6.765145|3.877803|0.044961|0.043615|0.039514|0.036981|0.038271|0.041337|0.038380|0.036743|0.035669|0.043221|0.045825|0.050409|0.061180|0.077143|0.126511|0.111711|0.140791|0.158088|0.302701|0.500000| |1.541873|1.478773|1.432269|1.340686|1.585783|1.794187|0.049589|2.513765|2.885123|2.300395|0.062232|14.559826|3.768564|3.187147|5.239079|4.236294|0.117487|4.597546|6.803130|12.950711|10.152162|4.962962|8.877372|17.614845|9.066209|6.889516|6.277230|4.377386|3.618644|3.661049|4.675933|5.976892|0.099900|5.596647|6.474233|3.734434|0.046007|0.043508|0.040179|0.037619|0.038350|0.042254|0.037458|0.035976|0.035465|0.041939|0.044095|0.048326|0.060228|0.078917|0.107883|0.118662|0.132896|0.115353|0.174907|0.202339|0.500000| |1.499386|1.459362|1.428612|1.321344|1.573941|1.790194|0.049834|2.546069|2.947923|2.279874|0.061267|14.153427|3.710101|3.114949|5.145320|4.020842|0.113384|3.861588|5.051372|8.426475|9.016471|5.139955|8.762737|17.573095|8.919435|5.606640|4.500295|3.443402|3.100745|3.333576|4.373610|6.342586|0.107769|6.922445|5.131518|2.860966|0.044695|0.041935|0.039017|0.037390|0.038575|0.042278|0.036683|0.035730|0.034881|0.042056|0.043417|0.049530|0.062124|0.077359|0.092448|0.097479|0.155473|0.120419|0.219370|0.173932|0.302523|0.500000| |1.427218|1.362330|1.301385|1.255658|1.454676|1.607951|0.043762|2.243937|2.511093|2.030254|0.056556|13.104219|3.201797|2.710557|4.690789|3.317513|0.086789|3.982278|5.648779|14.246045|6.871496|3.649722|5.868035|6.330947|6.633588|8.738854|17.761273|8.947188|5.550517|4.796188|5.488765|5.839234|0.098096|4.449188|12.369156|7.301108|0.041986|0.040840|0.037380|0.034376|0.034831|0.037850|0.035486|0.033642|0.033295|0.038432|0.041081|0.043030|0.051208|0.065345|0.103965|0.104226|0.091556|0.094084|0.125584|0.196388|0.204187|0.130424|0.500000| |1.086070|1.047641|1.008619|0.986222|1.104108|1.187681|0.032412|1.655927|1.797568|1.409634|0.039563|9.319828|2.111694|1.712806|3.045132|1.921355|0.051288|2.120123|2.513031|5.131533|3.338775|2.079641|2.810747|3.011433|3.694615|4.978724|5.661850|8.839973|17.730279|9.051786|5.692349|5.703044|0.108129|3.399082|13.857161|4.937852|0.031444|0.030971|0.028851|0.026930|0.027241|0.029001|0.027870|0.026641|0.026387|0.029562|0.031186|0.032318|0.036544|0.042873|0.058029|0.056898|0.055044|0.056563|0.071745|0.087714|0.084306|0.073366|0.123805|0.500000| |1.046609|1.018373|0.988913|0.956368|1.076128|1.162771|0.031916|1.633267|1.781548|1.375517|0.038375|9.000979|2.062899|1.670320|2.961878|1.877342|0.050548|1.994565|2.366849|4.631076|3.312901|2.089673|2.903160|3.231089|4.293766|5.497354|4.795352|5.506165|8.974540|17.753430|8.731181|9.210267|0.191932|4.535853|7.630080|3.309737|0.030350|0.029627|0.027779|0.026358|0.026846|0.028522|0.026871|0.025966|0.025566|0.028996|0.030195|0.032111|0.036439|0.041943|0.053789|0.052916|0.056797|0.056818|0.076887|0.087604|0.085759|0.081092|0.104893|0.215441|0.500000| |1.233267|1.206244|1.187543|1.110302|1.284768|1.425766|0.039721|2.018226|2.264706|1.722127|0.046860|10.999638|2.668978|2.168435|3.711410|2.560826|0.071387|2.545624|3.104996|5.636923|4.838458|3.026365|4.544770|6.404207|8.861706|6.224211|4.296687|3.568448|3.613304|4.393062|6.333639|12.360465|0.205694|17.549568|5.106672|2.634619|0.036318|0.034457|0.032478|0.031393|0.032265|0.034808|0.030832|0.030181|0.029538|0.034644|0.035497|0.039792|0.047376|0.055204|0.064773|0.066491|0.088425|0.078029|0.125269|0.115885|0.147059|0.192642|0.108059|0.084285|0.110436|0.500000| |1.246755|1.228164|1.202405|1.133672|1.321476|1.466483|0.040519|2.105393|2.373015|1.800556|0.049574|11.279833|2.780089|2.306041|4.038744|2.689258|0.072678|2.643963|3.244275|5.764498|5.271195|3.325785|5.352233|6.409496|8.846216|6.213689|4.290309|3.563027|3.606658|4.384295|6.321335|12.354016|0.205120|17.543590|5.101093|2.632279|0.036543|0.034962|0.032674|0.031634|0.032808|0.035104|0.031581|0.030929|0.030008|0.035772|0.036687|0.041542|0.049128|0.056437|0.068542|0.067097|0.096444|0.088961|0.162224|0.139744|0.134645|0.179956|0.108047|0.084142|0.110231|0.300447|0.500000| |1.399967|1.329006|1.253443|1.240176|1.413934|1.535197|0.041287|2.129493|2.335687|1.910775|0.054299|12.578422|2.924365|2.446857|4.361100|2.805854|0.072084|3.467253|4.261117|10.024895|4.919602|2.907534|3.772658|3.612968|3.709014|4.522054|6.749573|7.105574|4.737207|3.745646|3.691906|4.093386|0.073604|2.952363|16.416407|17.597072|0.040731|0.040567|0.036782|0.033235|0.033486|0.036065|0.035414|0.033132|0.032932|0.037248|0.040455|0.040682|0.046892|0.058829|0.098547|0.093022|0.071838|0.078631|0.088901|0.125506|0.109078|0.083461|0.221091|0.121207|0.087419|0.073686|0.075936|0.500000| |1.379610|1.300088|1.235484|1.208706|1.367719|1.486784|0.040394|2.036658|2.228722|1.814686|0.050702|12.175646|2.790208|2.278779|3.947544|2.653065|0.070634|3.241762|3.939089|9.323364|4.543234|2.692593|3.440194|3.596576|3.694929|4.503074|6.709587|7.089386|4.735881|3.741207|3.682394|4.083332|0.073486|2.944143|16.427914|17.592563|0.040379|0.039744|0.036472|0.032928|0.032878|0.035710|0.034338|0.032190|0.032288|0.035940|0.038833|0.038984|0.045292|0.057324|0.087915|0.091107|0.068145|0.070568|0.080763|0.106829|0.114787|0.084347|0.218144|0.121369|0.087366|0.075824|0.073432|0.298877|0.500000| 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