Version2.2 2021-02-06T10:02:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(cc1Cl)Cl)S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N4CC[NH+](CC4)C C38672645 RHF 6-31G(d) (6D,7F) Cc1cc(c(cc1Cl)Cl)S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N4CC[NH+](CC4)C C01[X(C23H31Cl2N4O2S1)] 183 C1 554 C[NH+]1CCN(CC1)[C@H](c1ccc2c(c1)CCN2C)CNS(=O)(=O)c1cc(C)c(cc1Cl)Cl C[NH+]1CCN(CC1)[C@H](c1ccc2c(c1)CCN2C)CNS(=O)(=O)c1cc(C)c(cc1Cl)Cl CN1CCc2cc(ccc12)[C@H](CN[S](=O)(=O)c3cc(C)c(Cl)cc3Cl)N4CC[NH+](C)CC4 InChIKey=OHLHOSNVIXPNNC-QFIPXVFZSA-O InChI=1S/C23H30Cl2N4O2S/c1-16-12-23(20(25)14-19(16)24)32(30,31)26-15-22(29-10-8-27(2)9-11-29)17-4-5-21-18(13-17)6-7-28(21)3/h4-5,12-14,22,26H,6-11,15H2,1-3H3/p+1/t22-/m0/s1 InChI=1/C23H30Cl2N4O2S/c1-16-12-23(20(25)14-19(16)24)32(30,31)26-15-22(29-10-8-27(2)9-11-29)17-4-5-21-18(13-17)6-7-28(21)3/h4-5,12-14,22,26H,6-11,15H2,1-3H3/p+1/t22-/m0/s1/fC23H31Cl2N4O2S/h27H/q+1 Cc1cc(c(cc1Cl)Cl)S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N4CC[NH+](CC4)C C01[X(C23H31Cl2N4O2S1)] 183 C01 554 C[NH+]1CCN(CC1)[C@H](c1ccc2c(c1)CCN2C)CNS(=O)(=O)c1cc(C)c(cc1Cl)Cl C[NH]1CCN(CC1)[C@H]([C]1[CH][CH][C]2[C]([CH]1)CCN2C)CNS(=O)(=O)[C]1[CH][C]([C]([CH][C]1Cl)Cl)C C[C]1[CH][C]([C](Cl)[CH][C]1Cl)[S](=O)(=O)NC[C@@H]([C]2[CH][CH][C]3[C]([CH]2)CCN3C)N4CC[NH](C)CC4 InChIKey=DEBYZPNYIQCRRW-QFIPXVFZSA-N InChI=1S/C23H31Cl2N4O2S/c1-16-12-23(20(25)14-19(16)24)32(30,31)26-15-22(29-10-8-27(2)9-11-29)17-4-5-21-18(13-17)6-7-28(21)3/h4-5,12-14,22,26-27H,6-11,15H2,1-3H3/t22-/m0/s1 InChI=1/C23H31Cl2N4O2S/c1-16-12-23(20(25)14-19(16)24)32(30,31)26-15-22(29-10-8-27(2)9-11-29)17-4-5-21-18(13-17)6-7-28(21)3/h4-5,12-14,22,26-27H,6-11,15H2,1-3H3/t22-/m0/s1 3939.7338803228 -2572.708718 1-A 21284.9060 131 423 554 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10.10024
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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| 10.5768 14.4760 24.7979 29.0570 38.2358 41.3026 57.3353 61.6192 94.0146 100.9003 133.1200 142.1473 146.5175 156.9674 165.3380 176.3160 194.4316 204.0467 214.6125 221.3604 230.0183 239.1486 240.1729 244.3719 249.1577 273.8232 291.6322 300.1283 308.4296 318.1753 336.8375 357.5414 376.6611 401.9324 411.4382 419.6127 433.8705 451.4665 467.8490 483.2084 491.4106 497.6612 516.3637 527.3185 532.5437 541.1743 562.4865 582.6622 616.1197 618.8918 654.3080 664.1056 675.1957 693.2336 704.5891 724.0853 748.0535 785.5646 790.2728 796.7261 819.6334 824.7355 840.9006 898.2989 908.7306 920.9209 930.5033 975.3516 979.4262 995.0946 1013.3428 1016.2918 1022.8826 1039.1260 1047.1618 1050.6044 1065.9596 1071.2748 1086.3706 1091.9685 1108.9725 1115.2471 1144.2189 1148.6141 1155.5380 1177.1903 1183.5225 1183.6633 1190.5025 1193.6515 1211.8538 1227.7406 1231.7849 1249.9024 1251.1731 1254.2564 1263.8828 1274.6076 1281.6951 1297.9783 1306.9172 1311.6421 1316.5772 1321.8418 1333.2221 1348.6098 1365.1738 1370.8002 1400.7333 1407.8184 1414.9477 1433.2883 1442.6229 1457.0299 1462.2654 1465.9928 1472.5100 1478.9450 1495.4136 1506.6019 1511.0032 1528.6523 1531.9118 1542.3819 1557.9384 1573.6848 1579.4038 1581.5682 1596.9067 1607.9900 1610.4354 1613.8318 1618.0248 1622.9607 1628.1880 1630.8138 1631.2649 1641.3093 1642.3975 1642.8335 1645.8813 1646.1508 1649.9971 1651.4656 1661.0596 1665.0203 1683.8922 1685.0487 1738.9624 1782.0079 1788.6884 1814.8770 3120.7947 3130.6974 3147.2951 3152.2521 3159.6397 3218.8637 3221.9913 3253.6938 3260.8222 3267.9538 3269.8990 3274.6431 3278.4630 3281.8563 3284.2268 3303.8571 3306.3867 3329.6659 3337.9911 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18.3100 61.4365 12.9678 15.8089 11.6716 13.5249 45.5744 19.6777 177.7226 7.1974 16.1313 21.1828 36.1102 14.9152 12.2437 21.1003 16.6287 2.2245 14.7694 26.4135 3.5019 22.0374 84.0626 42.4700 22.2674 7.6588 17.2058 163.1306 156.1727 13.0125 11.0328 7.8529 58.6316 8.1738 53.4910 14.9252 3.4785 14.4195 10.2286 4.3362 9.3870 2.3764 66.0265 12.8096 94.0840 13.6791 69.9102 21.8617 14.9156 24.0397 130.3625 27.2185 28.1522 7.2272 101.3862 44.3464 11.2927 22.2183 17.8964 14.8208 17.8197 2.1534 17.6818 27.8965 6.4980 4.8021 2.0400 35.0559 23.1057 104.7734 144.9359 59.8731 14.1910 31.3493 61.7449 56.9562 8.1039 23.8915 26.3456 0.6468 30.4297 0.2458 35.3633 39.7574 3.4093 0.1109 6.9396 29.5545 71.3765 2.1968 6.4676 46.7081 7.4685 22.6027 46.2897 27.0002 7.6037 61.7297 35.3967 3.5558 6.8111 105.1230 40.6029 53.9021 43.1174 6.1613 51.8137 111.9706 14.4799 57.1307 55.4285 32.9402 138.6903 25.3454 17.8373 53.6945 3.7746 41.7635 26.5979 6.0580 6.0143 53.4025 11.7499 16.2611 26.6868 5.6438 2.7378 6.6386 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MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE Cc1cc(c(cc1Cl)Cl)S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N4CC[NH+](CC4)C C38672645 RHF 6-31G(d) (6D,10F) C1 497.154479 |X|Y|Z| 73.438118 118.814108 42.126440
71.633269 25 6 7 16 20 4 1
|36.858105| |12.628042|36.858105| |7.561978|13.709911|36.858105| |4.999463|7.827659|13.740193|36.858105| |4.412859|6.782870|7.959559|13.700591|36.858105| |4.987100|7.853818|6.931022|7.952399|13.816021|36.858105| |7.496579|13.725613|8.056485|6.904159|7.964819|13.759870|36.858105| |6.175279|7.016329|4.784746|4.238496|4.800555|7.119422|10.973184|448.794386| |3.148393|4.193993|4.738345|6.924508|10.978932|7.146889|4.804160|28.748276|448.794386| |3.659937|4.727331|7.043647|10.687382|6.777676|4.675341|4.198191|24.376666|45.811579|388.023441| |3.130247|3.919003|5.213627|7.283569|5.886940|4.208897|3.676525|22.267639|46.638750|95.120952|73.516695| |3.802590|4.556352|6.798398|7.410038|4.903837|3.842509|3.763878|22.655898|32.473667|94.578029|13.605150|73.516695| |3.076678|3.834048|5.062596|6.971963|5.692859|4.115378|3.603151|21.949510|45.528563|82.389408|13.558938|13.798932|53.358707| |2.531332|3.065972|3.762317|4.934103|4.627491|3.505974|3.009312|19.198235|44.115474|49.628545|11.679594|9.182115|17.747536|36.858105| |2.196305|2.551056|3.049131|3.674337|3.402613|2.759402|2.468695|16.333602|30.619420|35.409587|8.412267|7.738458|10.374598|12.359177|36.858105| |1.993600|2.300170|2.677033|3.196630|3.084513|2.554635|2.269337|15.301133|28.902310|28.822890|7.196511|6.277296|7.683472|9.037352|17.448103|0.500000| |2.102120|2.394757|2.875128|3.357211|3.016997|2.482725|2.273009|15.153665|26.105869|33.698748|8.482325|7.926024|8.117400|7.492103|12.529748|0.249873|36.858105| |2.233567|2.508856|3.063861|3.457742|2.968751|2.461574|2.313068|15.350102|24.177716|35.851363|8.565177|9.503627|7.805888|5.821340|7.456439|0.155496|13.726448|36.858105| |2.068498|2.272638|2.723952|2.975665|2.577144|2.188779|2.087930|14.091550|20.772539|29.198912|7.369773|8.018292|5.709673|4.218618|4.963962|0.116428|7.840618|13.703077|36.858105| |1.846108|2.023794|2.372572|2.606054|2.332293|2.001948|1.894391|12.972063|19.344391|24.495872|6.551257|6.337682|4.788988|3.760372|4.422366|0.111775|6.831074|7.984546|13.760536|36.858105| |1.766873|1.959061|2.277378|2.557390|2.351466|2.010035|1.869127|12.833722|20.261577|23.729577|6.502966|5.787230|4.850929|4.113348|5.036522|0.135517|7.922275|6.921399|7.901315|13.633563|36.858105| |1.865465|2.102287|2.462114|2.838331|2.630997|2.210898|2.022813|13.748123|23.294869|26.826395|7.251446|6.268171|5.920629|5.497408|7.575295|0.208633|13.598648|7.955811|6.828838|7.925020|13.897155|36.858105| |1.576896|1.729966|1.970299|2.182791|2.046497|1.784296|1.665498|11.632472|17.704468|19.303499|5.352592|4.698350|3.842256|3.209773|3.707305|0.104547|4.925906|4.488886|5.181430|8.078160|12.600006|7.255304|36.858105| |1.527787|1.650715|1.872604|2.027823|1.878065|1.656744|1.571733|11.048442|15.794551|17.732659|4.812584|4.480578|3.441517|2.740765|3.112861|0.084968|4.067387|4.117576|5.230794|8.283743|8.061719|5.134963|12.383466|36.858105| |1.691600|1.826849|2.103513|2.265841|2.050319|1.793911|1.713644|11.913468|16.890459|20.368142|5.489894|5.305666|3.863625|2.983166|3.358574|0.087734|4.582218|5.128357|7.622385|13.780550|8.333594|5.328086|8.063983|13.049894|53.358707| |1.649093|1.750528|2.000188|2.102378|1.889669|1.676295|1.626524|11.401246|15.222125|18.456939|4.829458|4.976304|3.451457|2.573402|2.852748|0.073910|3.687330|4.316734|6.261609|7.739921|5.262272|3.950227|5.114307|7.657576|17.997790|36.858105| |2.201938|2.517346|2.972485|3.440174|3.156850|2.636119|2.412605|16.127942|26.931547|31.021615|6.809588|7.307171|9.058704|7.645826|12.856438|0.251381|7.649367|6.271833|4.355464|3.738658|3.978804|5.238821|3.076349|2.722390|4.011629|2.622930|53.358707| |1.923584|2.140498|2.468950|2.753984|2.548391|2.197576|2.048661|14.053625|21.541374|24.011976|5.479692|5.925621|6.111895|5.011667|7.799188|0.194387|6.576594|5.650661|4.263789|3.768974|4.016159|5.076088|3.154418|2.833552|4.097130|2.707494|17.872178|36.858105| |1.896763|2.071412|2.352896|2.540326|2.343286|2.069256|1.968149|13.678503|19.169912|21.181398|4.718907|5.422023|5.158295|3.870026|5.047935|0.127328|4.506765|4.377798|3.550630|3.104568|3.151705|3.677207|2.593014|2.426981|3.528133|2.431925|10.628441|12.549735|36.858105| |1.907327|2.088669|2.330090|2.514666|2.375068|2.126102|2.014586|14.124658|19.509572|20.005026|4.424844|4.992572|4.916297|3.668342|4.412544|0.115660|3.678850|3.486875|2.876233|2.569431|2.643730|3.085740|2.236685|2.078913|2.985030|2.060491|8.986027|7.687417|12.675712|53.358707| |1.771188|1.942242|2.147935|2.335252|2.245758|2.018906|1.897154|13.415833|18.863880|18.462013|4.181233|4.521833|4.496949|3.498706|4.240894|0.117439|3.511524|3.217086|2.692222|2.469569|2.596580|3.047736|2.227564|2.048562|2.889398|1.978742|8.072169|7.160632|9.338176|25.689804|0.500000| |2.176152|2.437677|2.743127|3.019619|2.866200|2.531317|2.365953|16.283358|23.523754|23.668966|5.074758|5.738727|6.176253|4.479171|5.026382|0.127435|3.868444|3.624578|2.903149|2.563714|2.644693|3.145106|2.217584|2.037698|2.953792|2.020236|10.620244|6.686069|7.733629|17.278333|0.259417|36.858105| |2.206313|2.536232|2.915218|3.372826|3.234770|2.750428|2.489525|16.800708|28.034656|27.732357|6.048433|6.345784|7.976159|6.537334|7.740753|0.194755|5.007694|4.299801|3.288058|2.928249|3.124107|3.929323|2.558195|2.278733|3.290976|2.187471|17.872827|8.047250|6.667690|10.424510|0.197792|12.521985|36.858105| |1.828953|1.960738|2.146195|2.251084|2.127225|1.949846|1.883567|13.447016|17.074981|17.358342|3.839350|4.427165|4.048587|2.918635|3.321948|0.087375|2.925092|2.882045|2.478044|2.222619|2.242004|2.523775|1.941280|1.843070|2.647583|1.867858|6.076393|4.986734|7.655126|17.407749|0.260327|7.665252|4.978569|36.858105| |17.574998|8.860797|5.893274|4.289123|3.958025|4.567729|6.655271|50.724276|23.486938|23.101398|5.161787|5.911579|3.709960|2.304104|2.009785|0.051192|1.941289|2.052083|1.926909|1.741870|1.669901|1.748620|1.506754|1.463517|2.195634|1.575280|2.711195|1.757781|1.724831|2.353457|0.044965|1.949990|1.989550|1.659229|0.500000| |17.570563|8.851317|5.882826|4.280728|3.948278|4.559066|6.649254|50.839671|23.438044|22.980943|4.918462|5.935818|3.887463|2.378239|2.087856|0.052965|1.977966|2.086652|1.925618|1.724136|1.658676|1.757365|1.484619|1.438069|2.152387|1.544755|2.895292|1.869821|1.867821|2.590992|0.049079|2.174689|2.165940|1.847849|0.302728|0.500000| |17.603243|8.893354|7.320048|4.776572|3.973711|4.170690|5.567632|36.766495|23.486429|26.686765|5.626411|7.377774|4.236417|2.533598|2.231629|0.055773|2.169337|2.351712|2.194620|1.936058|1.827380|1.914544|1.623910|1.587645|2.416834|1.747139|3.062077|1.977352|1.959918|2.649010|0.049867|2.199619|2.216538|1.872064|0.301483|0.301169|0.500000| |7.036687|8.947345|17.779950|9.003260|5.676586|4.987194|5.701253|31.585903|31.429207|48.898525|8.893040|14.664843|6.631003|3.598089|3.029358|0.073003|2.942731|3.254872|2.929390|2.499516|2.345120|2.500449|2.017269|1.944487|3.018788|2.136744|4.067446|2.515963|2.419536|3.202336|0.059708|2.723169|2.852837|2.181007|0.153071|0.152746|0.226274|0.500000| |4.075270|5.618776|4.986629|5.656000|8.953931|17.774852|8.925831|54.711668|55.045922|27.441645|6.467430|5.705028|4.862686|3.209219|2.562944|0.067321|2.294351|2.239166|2.003283|1.859539|1.887990|2.077366|1.695436|1.567607|2.282971|1.563966|3.325526|2.060463|1.939392|2.736783|0.053636|2.378814|2.586459|1.848670|0.107726|0.107528|0.095965|0.108181|0.500000| |3.030421|3.647558|4.756127|5.849455|4.705169|3.642112|3.337084|20.772472|35.856733|61.913326|10.414133|14.070884|25.975508|9.120150|7.465758|0.148880|6.015319|6.245560|4.416328|3.559849|3.510544|4.226998|2.759796|2.520001|3.889238|2.597390|10.663904|5.125768|4.446037|5.645866|0.101623|5.279328|6.494956|3.385102|0.073796|0.079129|0.086852|0.133932|0.088263|0.500000| |2.464889|3.000732|3.553004|4.645523|4.741362|3.648721|3.048177|19.663165|49.588919|39.891492|9.445652|7.549162|12.453032|17.598652|8.777067|0.226804|5.519047|4.429377|3.421385|3.142757|3.466482|4.491355|2.835581|2.429634|3.514773|2.257731|9.075381|4.559044|3.644462|4.981759|0.099142|4.621380|6.956328|2.916098|0.062478|0.065167|0.067349|0.091777|0.095229|0.194819|0.500000| |2.462251|2.980823|3.643331|4.810490|4.580531|3.455108|2.943719|18.841140|45.683428|49.482021|14.378836|8.842557|12.441814|17.674190|8.907991|0.212386|7.230166|5.605000|4.307837|3.997312|4.475544|5.919689|3.511597|2.931262|4.330015|2.683730|7.630625|4.171378|3.280985|4.185905|0.082622|3.582105|4.828365|2.522006|0.063219|0.063493|0.068344|0.096566|0.088454|0.184562|0.304641|0.500000| |2.461785|2.766796|3.445039|3.831901|3.181590|2.630523|2.502199|16.414640|24.922626|40.341984|8.660837|11.693304|8.955507|5.812647|6.862041|0.139456|8.900465|17.736628|9.002876|5.689648|4.978782|5.643108|3.584703|3.388130|5.637059|3.741635|9.107969|5.682486|4.720706|5.134412|0.093480|4.021941|4.612712|3.138724|0.061882|0.063920|0.072760|0.103835|0.065551|0.223156|0.124049|0.145660|0.500000| |2.115438|2.285062|2.734049|2.894854|2.472883|2.128180|2.067266|14.008365|19.366536|27.678791|6.793813|8.109426|5.172065|3.625681|4.062033|0.096330|5.614853|8.917748|17.746168|8.853003|5.611334|4.931486|4.225189|4.570507|9.174274|6.674796|5.144464|3.717259|3.289203|3.665845|0.069328|2.709899|2.961314|2.384424|0.054743|0.054568|0.063228|0.083557|0.053829|0.113063|0.083705|0.101628|0.218455|0.500000| |1.767705|1.996877|2.303512|2.670179|2.548679|2.157241|1.953172|13.392068|23.296411|24.219246|6.602170|5.506788|5.421612|5.282437|7.053719|0.233210|8.852342|5.644120|4.926015|5.638602|8.976230|17.677906|6.552263|4.483103|5.882613|3.327492|6.657223|4.758725|3.460177|4.092587|0.084663|3.070383|3.899039|2.450785|0.046213|0.046510|0.049898|0.063977|0.057068|0.105371|0.127544|0.159357|0.123779|0.107107|0.500000| |1.478214|1.618290|1.825175|2.019067|1.917373|1.684836|1.569791|11.053007|16.738282|17.480336|4.771832|4.227439|3.554568|3.006410|3.526955|0.103180|4.437038|3.908032|4.264247|5.913428|8.707383|6.445440|17.584790|8.686395|7.922105|4.207168|4.055005|3.132196|2.574400|3.040118|0.062678|2.186383|2.516826|1.936940|0.039245|0.038918|0.042097|0.051585|0.044803|0.071180|0.075500|0.089758|0.089078|0.099028|0.181393|0.500000| |1.585546|1.746393|1.983354|2.209341|2.089551|1.821340|1.691264|11.816870|18.253101|19.390152|5.550021|4.634657|3.772404|3.158634|3.474805|0.098490|4.422659|4.018626|4.515481|6.445739|8.876074|6.208359|17.540609|8.761988|9.005265|4.474527|3.872165|2.827777|2.349349|2.819088|0.057330|2.087912|2.417134|1.807055|0.042328|0.041294|0.045150|0.056012|0.048238|0.073797|0.078106|0.098903|0.091371|0.105231|0.164925|0.301666|0.500000| |1.449832|1.557035|1.755287|1.887290|1.752722|1.557212|1.483246|10.492341|14.691566|16.285323|4.317956|4.147012|3.214423|2.550507|2.950969|0.081117|3.770334|3.816974|4.717003|6.738768|6.596470|4.625485|8.757632|17.455006|12.305261|7.009334|3.619478|2.856802|2.477672|2.863810|0.057820|2.023676|2.233567|1.875613|0.038509|0.038150|0.041875|0.050677|0.041027|0.066257|0.063485|0.074107|0.088928|0.117215|0.114644|0.221653|0.174639|0.500000| |1.459688|1.569144|1.764894|1.898991|1.770086|1.574741|1.498322|10.607866|14.856057|16.298823|4.463780|4.107661|3.106006|2.450833|2.700174|0.074097|3.383202|3.428653|4.226222|5.972042|5.809273|4.124970|8.653238|17.604738|12.343612|6.714790|3.238694|2.446542|2.134184|2.533812|0.051050|1.834954|2.036242|1.669238|0.039109|0.038129|0.042068|0.050794|0.041544|0.062722|0.061129|0.073283|0.080952|0.107417|0.104174|0.190438|0.220560|0.300703|0.500000| |1.542190|1.627728|1.838201|1.922632|1.746621|1.564134|1.520620|10.758841|14.100368|16.500763|4.358672|4.395905|3.062068|2.289906|2.495445|0.065686|3.115546|3.503357|4.679126|5.703338|4.396229|3.384729|4.657625|7.149845|12.559795|17.602527|3.127811|2.364916|2.145579|2.518288|0.049688|1.816121|1.957543|1.692396|0.041229|0.040173|0.045234|0.054242|0.040762|0.063422|0.056629|0.066718|0.086172|0.136242|0.082041|0.109089|0.117908|0.183021|0.204089|0.500000| |1.775410|1.876602|2.160066|2.246522|1.988831|1.762079|1.723270|12.014082|15.743070|19.855538|5.152962|5.508611|3.614608|2.622352|2.843993|0.072308|3.640152|4.465185|6.594475|6.940002|4.675223|3.709525|4.292450|5.619243|12.463649|17.602680|3.583249|2.661173|2.418580|2.802870|0.054379|2.042312|2.198760|1.876383|0.047059|0.045915|0.052721|0.064970|0.045320|0.075884|0.063502|0.075831|0.110892|0.222561|0.086457|0.099120|0.108944|0.141151|0.142545|0.303039|0.500000| |1.591815|1.681769|1.912639|2.000727|1.802483|1.606553|1.563128|11.006286|14.500592|17.392937|4.445711|4.715549|3.328397|2.479288|2.807258|0.072884|3.585309|4.197400|5.855213|6.709347|4.837569|3.777074|4.617944|6.578109|12.250580|17.455803|3.611201|2.819894|2.570905|2.921881|0.057200|2.065984|2.207740|1.956773|0.042072|0.041722|0.046880|0.056789|0.041706|0.070650|0.060828|0.070411|0.102701|0.174926|0.089085|0.111469|0.108924|0.195282|0.155219|0.300124|0.299555|0.500000| |1.770317|1.967591|2.234499|2.499656|2.371952|2.065315|1.911567|13.271554|20.552887|21.240736|4.997774|5.119629|5.279339|4.547570|6.828609|0.201916|5.677439|4.615839|3.694304|3.461913|3.856883|4.908743|3.138661|2.762314|3.854213|2.523625|12.237225|17.397401|8.860762|9.393917|0.210048|5.850487|7.203644|4.604746|0.045302|0.047949|0.050130|0.062493|0.054528|0.116612|0.120645|0.108336|0.123327|0.089344|0.137490|0.089297|0.078248|0.077996|0.066589|0.062153|0.067851|0.072877|0.500000| |1.882384|2.079842|2.412761|2.670513|2.437013|2.100152|1.972010|13.531014|20.415527|23.880459|5.555644|6.042686|5.783414|4.681826|7.268836|0.176943|7.765052|6.976081|5.271891|4.597989|4.818719|5.974159|3.636708|3.298448|4.837213|3.168507|12.456497|17.675321|9.027627|7.637856|0.145764|4.977277|5.754625|4.150352|0.048020|0.050442|0.054195|0.069230|0.054492|0.133579|0.113482|0.113693|0.182071|0.123865|0.145398|0.099229|0.087919|0.093206|0.077256|0.075311|0.085593|0.092942|0.302757|0.500000| |1.723219|1.859595|2.086352|2.228225|2.071279|1.852204|1.771672|12.481044|16.976843|18.344764|4.177227|4.718882|4.285983|3.248328|4.149297|0.109171|3.918079|3.831318|3.281348|2.950114|2.992553|3.384530|2.524037|2.394790|3.428757|2.391302|7.656227|8.799058|17.620157|12.358723|0.225910|5.631367|4.984075|7.098151|0.043882|0.047225|0.049499|0.059711|0.048553|0.099550|0.085618|0.079114|0.110896|0.085262|0.089304|0.070582|0.062989|0.069205|0.058563|0.058950|0.065272|0.071365|0.214426|0.213844|0.500000| |2.033920|2.205956|2.528240|2.685185|2.420984|2.137501|2.060394|14.231101|19.254192|22.522162|4.892143|5.991071|5.386789|3.802389|4.732738|0.113936|4.408371|4.631491|3.756348|3.156693|3.083850|3.509182|2.522136|2.408098|3.588225|2.518630|9.604551|8.838152|17.630233|12.414258|0.182104|7.025556|5.854632|7.097725|0.050998|0.055584|0.059042|0.073454|0.055024|0.134306|0.097291|0.089820|0.147841|0.099518|0.089257|0.068314|0.063731|0.067890|0.058986|0.061304|0.070795|0.074070|0.173275|0.215488|0.299686|0.500000| |2.114696|2.360823|2.592118|2.832637|2.765979|2.498718|2.332229|16.321604|22.825169|21.232735|4.613659|5.082674|5.333994|3.892163|4.131812|0.109368|3.247011|3.034309|2.504543|2.254325|2.336398|2.740446|2.002669|1.842398|2.643847|1.815455|7.655838|4.998417|5.629261|12.361843|0.225845|17.619585|8.795713|7.100105|0.052798|0.059407|0.058685|0.070452|0.066175|0.120767|0.116404|0.088815|0.091876|0.065439|0.075652|0.055172|0.052878|0.050827|0.046555|0.045819|0.050922|0.051404|0.131452|0.109433|0.126810|0.143465|0.500000| |2.398516|2.675810|3.043047|3.283557|3.024934|2.671544|2.542378|17.310961|23.772022|25.619021|5.293805|6.427271|6.597561|4.380405|4.705287|0.113837|3.790392|3.746768|2.998669|2.582162|2.594387|3.027046|2.165562|2.019295|2.977549|2.061198|9.572457|5.850519|7.022711|12.438164|0.182228|17.628739|8.833103|7.122985|0.058910|0.066739|0.068007|0.085100|0.068550|0.166211|0.121015|0.097815|0.120938|0.079286|0.080151|0.058546|0.056759|0.055489|0.050621|0.051290|0.058638|0.058493|0.134616|0.130412|0.143546|0.210654|0.299965|0.500000| |2.437924|2.874769|3.325031|3.972150|3.882779|3.231631|2.858471|18.909482|34.066748|31.660059|6.725923|6.899758|9.691210|7.602640|7.114466|0.175471|4.643122|4.058893|3.131508|2.785883|2.952713|3.671423|2.437992|2.171907|3.154568|2.097813|12.394402|5.742388|4.979711|7.647748|0.145367|9.085085|17.654923|4.163413|0.060633|0.066392|0.067224|0.088145|0.083982|0.206316|0.250437|0.148952|0.122488|0.079059|0.101287|0.065943|0.065157|0.058413|0.054460|0.052439|0.059131|0.058073|0.145211|0.127571|0.109370|0.131031|0.215093|0.217761|0.500000| |1.994284|2.277736|2.566520|2.960542|2.927204|2.529701|2.273941|15.633379|26.311365|23.833968|5.445572|5.399303|6.413086|5.667614|6.799485|0.202787|4.548594|3.765919|2.986571|2.759670|3.027760|3.825782|2.534954|2.227572|3.142743|2.074970|12.214723|7.163833|5.796191|9.301026|0.206947|8.841563|17.403154|4.578468|0.050561|0.054511|0.055276|0.069259|0.067435|0.135940|0.178091|0.123800|0.107041|0.074277|0.110568|0.070627|0.066671|0.060956|0.055474|0.052041|0.057225|0.058210|0.214727|0.145232|0.130205|0.134017|0.214852|0.173178|0.302592|0.500000| |1.954389|2.077945|2.281536|2.355462|2.190154|2.011342|1.968240|13.999040|17.176185|18.110904|3.938352|4.728850|4.165969|2.895517|3.231794|0.082776|2.900041|2.952376|2.545318|2.241913|2.218032|2.469063|1.911584|1.834802|2.672833|1.905838|5.870298|4.622710|6.968110|12.342760|0.181455|6.973104|4.619534|17.650374|0.048898|0.054999|0.056053|0.065157|0.052468|0.098755|0.079129|0.069588|0.091657|0.069146|0.065557|0.052412|0.049518|0.051677|0.046230|0.047825|0.053748|0.055464|0.113163|0.111039|0.173266|0.213319|0.173166|0.214102|0.111585|0.112728|0.500000| |1.799321|1.928529|2.080910|2.180404|2.094824|1.943447|1.874602|13.522754|16.873708|16.395807|3.641008|4.121059|3.799240|2.747233|3.029440|0.081027|2.632852|2.563424|2.219988|2.014547|2.047300|2.303364|1.793723|1.695932|2.419994|1.703933|5.340871|4.157685|5.582094|12.311481|0.223963|7.065732|4.638164|17.644093|0.045409|0.050921|0.050688|0.058067|0.051616|0.086444|0.078054|0.066238|0.076941|0.059340|0.062951|0.049847|0.046819|0.047738|0.043000|0.043231|0.047566|0.049213|0.110901|0.096944|0.144835|0.144158|0.216765|0.176712|0.111961|0.122575|0.299154|0.500000| |1.673882|1.780478|1.941577|2.028969|1.919911|1.766519|1.710658|12.309854|15.487200|15.733825|3.539698|4.031805|3.593098|2.629102|3.032680|0.081006|2.756105|2.721531|2.392534|2.173499|2.191437|2.432442|1.918797|1.835922|2.615705|1.857158|5.341621|4.645651|7.059054|12.317441|0.224184|5.588239|4.150481|17.644927|0.042519|0.046844|0.047715|0.055038|0.046708|0.082327|0.072424|0.064298|0.080798|0.064107|0.065742|0.053589|0.049303|0.052473|0.046185|0.046875|0.051433|0.054579|0.123140|0.111630|0.216736|0.176106|0.144901|0.144504|0.097114|0.110206|0.299229|0.299113|0.500000|
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