Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)Cl)NC(=O)CSc2nc3cc([nH]c3c(=O)n2Cc4ccccc4)c5ccccc5 C33022275 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)Cl)NC(=O)CSc2nc3cc([nH]c3c(=O)n2Cc4ccccc4)c5ccccc5 C01[X(C28H23Cl1N4O2S1)] 171 C1 594 O=C(Nc1ccc(cc1Cl)C)CSc1nc2cc([nH]c2c(=O)n1Cc1ccccc1)c1ccccc1 O=C(Nc1ccc(cc1Cl)C)CSc1nc2cc([nH]c2c(=O)n1Cc1ccccc1)c1ccccc1 Cc1ccc(NC(=O)CSC2=Nc3cc([nH]c3C(=O)N2Cc4ccccc4)c5ccccc5)c(Cl)c1 InChIKey=FOWALQSUCKQQBL-UHFFFAOYSA-N InChI=1S/C28H23ClN4O2S/c1-18-12-13-22(21(29)14-18)30-25(34)17-36-28-32-24-15-23(20-10-6-3-7-11-20)31-26(24)27(35)33(28)16-19-8-4-2-5-9-19/h2-15,31H,16-17H2,1H3,(H,30,34) InChI=1/C28H23ClN4O2S/c1-18-12-13-22(21(29)14-18)30-25(34)17-36-28-32-24-15-23(20-10-6-3-7-11-20)31-26(24)27(35)33(28)16-19-8-4-2-5-9-19/h2-15,31H,16-17H2,1H3,(H,30,34)/f/h30H Cc1ccc(c(c1)Cl)NC(=O)CSc2nc3cc([nH]c3c(=O)n2Cc4ccccc4)c5ccccc5 C01[X(C28H23Cl1N4O2S1)] 171 C01 594 O=C(Nc1ccc(cc1Cl)C)CSc1nc2cc([nH]c2c(=O)n1Cc1ccccc1)c1ccccc1 O=C(Nc1ccc(cc1Cl)C)CSC1=N[C@@H]2C[C@@H](N[C@H]2C(=O)N1Cc1ccccc1)c1ccccc1 Cc1ccc(NC(=O)CSC2=N[C@@H]3C[C@@H](N[C@H]3C(=O)N2Cc4ccccc4)c5ccccc5)c(Cl)c1 InChIKey=WJBPCLDSXSLAIW-DGWZTRNLSA-N InChI=1S/C28H27ClN4O2S/c1-18-12-13-22(21(29)14-18)30-25(34)17-36-28-32-24-15-23(20-10-6-3-7-11-20)31-26(24)27(35)33(28)16-19-8-4-2-5-9-19/h2-14,23-24,26,31H,15-17H2,1H3,(H,30,34)/t23-,24-,26-/m1/s1 InChI=1/C28H27ClN4O2S/c1-18-12-13-22(21(29)14-18)30-25(34)17-36-28-32-24-15-23(20-10-6-3-7-11-20)31-26(24)27(35)33(28)16-19-8-4-2-5-9-19/h2-14,23-24,26,31H,15-17H2,1H3,(H,30,34)/t23-,24-,26-/m1/s1/f/h30H 3767.6714874464 -2298.2743969 1-A 30538.8845 134 460 594 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0.8538 0.7400 0.8490 0.7336 0.8442 0.2091 0.8551 0.8552 0.8568 0.4635 0.5684 0.3573 0.8510 0.8287 0.4421 0.7098 0.4471 0.5078 0.7070 0.6100 0.8532 0.6727 0.8261 0.8568 0.2556 0.5151 0.7859 0.4101 0.8505 0.1219 0.7747 0.5777 0.5412 0.8558 0.5338 0.2082 0.4615 0.8570 0.8174 0.2615 0.3300 0.8558 0.2937 0.8539 0.3015 0.1870 0.8318 0.2692 0.3091 0.8571 0.3022 0.8329 0.7257 0.2005 0.3359 0.4337 0.3525 0.8540 0.7199 0.8009 0.3956 0.8562 0.6569 0.5797 0.5802 0.6525 0.8374 0.8162 0.2795 0.8558 0.6583 0.3537 0.7423 0.2577 0.2804 0.3505 0.2389 0.7853 0.2999 0.8559 0.3833 0.3325 0.8522 0.5503 0.6730 0.6060 0.5298 0.5098 0.7881 0.4875 0.7744 0.8571 0.5043 0.5988 0.7605 0.7395 0.4437 0.8433 0.4635 0.7558 0.3583 0.5349 0.8565 0.2676 0.8079 0.8504 0.5564 0.5780 0.4319 0.3752 0.0979 0.8571 0.0519 0.8561 0.0681 0.8557 0.6111 0.8565 0.8436 0.4850 0.8433 0.8482 0.8275 0.8569 0.5213 0.2043 0.4389 0.1973 0.2251 0.4635 0.3475 0.2589 0.3329 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 6 6 6 6 6 17 7 6 8 6 16 6 7 6 6 6 7 1 6 6 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 17142.6304 40334.5085 55190.9794 0.99997 0.00807 -0.00119 -0.00807 0.99996 0.00243 0.00120 -0.00242 1.00000 1 0.00505 0.00215 0.00157 0.10528 0.04474 0.03270 8.26 17.69 28.47 32.03 39.15 43.78 48.51 55.75 68.30 86.15 98.57 106.58 143.12 157.81 166.17 201.53 221.43 244.84 262.43 291.73 309.06 323.14 330.18 362.69 403.70 426.96 456.89 473.89 509.94 545.37 552.80 587.32 643.04 652.43 655.15 656.84 660.83 687.47 717.09 722.07 729.34 766.01 798.41 818.36 824.63 834.83 896.06 930.31 933.05 945.31 975.43 978.91 1034.29 1060.90 1067.17 1072.52 1084.30 1111.92 1115.30 1119.45 1125.33 1154.24 1181.20 1215.86 1223.28 1225.20 1243.61 1292.82 1321.05 1328.09 1346.98 1363.81 1380.59 1386.07 1386.81 1448.46 1469.92 1476.64 1498.32 1507.94 1522.32 1538.38 1566.30 1569.06 1584.77 1589.91 1597.23 1601.67 1623.13 1624.38 1625.11 1629.28 1640.28 1665.58 1686.89 1690.52 1706.41 1708.13 1743.92 1748.57 1770.33 1794.44 1854.03 1862.85 1871.98 1872.55 1876.95 1881.19 1897.40 1910.05 1923.42 1923.67 1952.59 1964.22 1994.43 2005.23 2063.76 2107.54 2115.58 2141.63 2146.22 2171.59 2217.64 2237.67 2257.70 2257.92 2300.82 2328.87 2334.17 2346.63 2358.07 2359.25 2374.80 2386.69 2392.00 2407.84 2453.50 2471.61 2516.93 2555.18 2570.76 2574.69 2577.32 2609.28 2611.64 2618.15 2761.23 2841.48 4612.24 4689.22 4708.32 4723.69 4738.24 4783.33 4822.42 4826.24 4832.65 4838.28 4840.40 4843.46 4855.54 4858.27 4871.81 4872.32 4878.32 4883.03 4893.32 4957.98 4990.74 5580.13 5623.17 0.491933 0.521761 0.522705 0.422543 -2297.782464 -2297.752636 -2297.751692 -2297.851854 3.359450D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE Cc1ccc(c(c1)Cl)NC(=O)CSc2nc3cc([nH]c3c(=O)n2Cc4ccccc4)c5ccccc5 C33022275 RHF 6-31G(d) (6D,10F) C1 514.123026 |X|Y|Z| 93.171002 145.089898 28.407002 72.685500 32 6 7 16 27 4 1 |36.858105| |12.611405|36.858105| |7.537490|13.699923|36.858105| |5.003346|7.858841|13.809993|36.858105| |4.391516|6.737621|7.906732|13.652179|36.858105| |5.014520|7.917524|6.972060|8.011278|13.704202|36.858105| |7.546046|13.778016|8.039222|6.899833|7.854412|13.762072|36.858105| |3.659195|4.769326|4.247464|4.749317|6.964833|10.863801|7.079907|448.794386| |3.317869|4.502357|5.126359|7.724794|13.562841|7.898925|5.155983|51.298591|53.358707| |2.840871|3.651337|4.325860|6.291730|7.638184|5.128459|3.878702|35.473579|19.040162|36.858105| |2.844093|3.600124|4.511097|6.589346|6.497842|4.428271|3.596382|29.236888|11.413712|15.930999|73.516695| |2.355453|2.894709|3.240262|4.219162|5.058307|3.999377|3.132328|31.489255|10.837146|12.527523|14.174699|36.858105| |2.030006|2.407455|2.724894|3.390322|3.655872|2.987839|2.500038|23.022562|6.539831|7.007436|11.883654|10.536355|388.023441| |1.765416|2.050775|2.239566|2.672797|2.937045|2.550765|2.164374|20.807698|5.067044|4.639000|7.481639|6.991192|76.242376|36.858105| |1.775254|2.066031|2.212631|2.625468|2.978988|2.652923|2.226574|22.578674|5.195980|4.462659|6.800257|6.926692|51.387689|14.944575|53.358707| |1.589926|1.818620|1.919169|2.219061|2.486497|2.282147|1.957669|19.732637|4.141112|3.388216|5.333025|4.644276|34.695489|8.475383|18.909728|36.858105| |1.525601|1.731428|1.794919|2.043163|2.307433|2.179935|1.883624|19.432538|3.759164|2.931887|4.594923|3.801531|26.214464|5.265476|10.238549|13.437245|36.858105| |1.375659|1.541315|1.595702|1.791762|1.984772|1.884756|1.658935|16.561818|3.151597|2.458923|3.962032|3.054084|22.080495|4.297037|7.235965|8.521341|13.875277|36.858105| |1.341834|1.501117|1.570708|1.767356|1.928799|1.805704|1.596289|15.489114|3.059138|2.445478|4.016826|3.036317|23.443716|4.759115|7.352506|8.588345|8.566818|14.022607|53.358707| |1.258346|1.397620|1.461759|1.631907|1.762315|1.654354|1.476889|14.079267|2.756619|2.198463|3.663602|2.660979|20.800070|4.015289|5.858687|6.012426|5.989777|9.052963|26.084430|0.500000| |1.451881|1.640755|1.737197|1.984220|2.168756|1.991551|1.740794|16.874713|3.513485|2.893714|4.737968|3.744624|30.519971|7.153098|10.824762|13.961884|8.501244|8.611134|18.982989|0.252395|36.858105| |1.440986|1.625645|1.743847|1.995838|2.137538|1.932299|1.699917|15.928996|3.441005|2.916570|4.932922|3.701070|33.679410|7.835265|9.063094|7.793456|5.277555|5.286031|10.304671|0.186273|13.381985|36.858105| |1.333269|1.488888|1.594906|1.802743|1.903371|1.731834|1.544380|14.171829|2.997855|2.511953|4.337123|3.044578|27.267581|5.387891|6.376733|5.339595|4.157929|4.451964|8.675294|0.182329|8.126745|15.794391|73.516695| |1.585678|1.810013|1.972016|2.299814|2.456673|2.165929|1.884392|17.520918|4.041841|3.588505|6.120303|4.724065|50.423093|13.781235|10.977014|7.094275|4.666088|4.235391|7.067214|0.126937|8.131413|13.577186|14.816984|53.358707| |1.553088|1.760407|1.941904|2.250519|2.331102|2.037491|1.799154|16.038267|3.736916|3.354733|6.061250|4.065323|45.532639|7.594658|6.999172|4.575668|3.426950|3.227835|5.249339|0.100557|5.149902|7.799804|12.505632|17.541603|36.858105| |1.531746|1.727549|1.911741|2.200679|2.248675|1.966574|1.751505|15.329178|3.546726|3.156332|5.817594|3.663582|38.707964|5.703061|5.768814|3.813890|2.999007|2.845809|4.513575|0.088197|4.176634|5.674962|9.752273|10.278834|12.555696|36.858105| |1.617209|1.825211|2.051447|2.366505|2.360113|2.035268|1.823714|15.478776|3.669547|3.308702|6.388543|3.622484|37.697794|4.677391|4.927511|3.170503|2.580964|2.418689|3.693899|0.072090|3.298283|4.101166|6.998936|7.203491|7.560142|13.733426|36.858105| |1.559670|1.742104|1.949916|2.211821|2.182775|1.904533|1.729151|14.440242|3.314360|2.895258|5.584569|3.065251|28.751366|3.649452|4.103404|2.710412|2.284190|2.163042|3.255755|0.064303|2.805301|3.338878|5.826896|5.419115|5.011083|7.897488|13.728970|36.858105| |1.437488|1.593208|1.755152|1.967281|1.966135|1.747769|1.593559|13.480021|2.972981|2.528200|4.728591|2.720485|24.382586|3.340423|3.876947|2.652223|2.267971|2.186359|3.310343|0.066295|2.798004|3.303320|5.911348|5.058414|4.424370|6.830484|7.939942|13.780298|36.858105| |1.375804|1.526208|1.664368|1.867827|1.899146|1.702684|1.543855|13.372955|2.904662|2.456662|4.479874|2.736007|24.638071|3.658754|4.246988|2.994893|2.535310|2.486188|3.862035|0.078187|3.276830|3.978265|7.316493|5.845867|5.008660|7.907396|6.895811|7.956574|13.728078|36.858105| |1.414181|1.580319|1.725250|1.956933|2.010946|1.792873|1.609058|14.173776|3.131847|2.691421|4.859523|3.105800|29.542847|4.684475|5.170812|3.647509|2.956505|2.894657|4.654964|0.093453|4.143402|5.493519|10.158445|8.280624|7.525567|13.675962|7.959529|6.880169|7.927030|13.776156|36.858105| |1.274497|1.413113|1.448210|1.603387|1.767630|1.706211|1.521419|15.094217|2.746757|2.099822|3.410635|2.512361|17.844160|3.226145|5.179694|5.166176|7.395612|12.915258|10.483716|0.191820|5.264811|3.849807|6.218070|4.363000|2.603897|2.357786|2.050006|1.871776|1.907036|2.146935|2.426235|36.858105| |1.274312|1.409086|1.430940|1.574937|1.745808|1.707837|1.527113|15.335333|2.691211|2.019573|3.262647|2.381355|16.417649|2.858645|4.607284|4.295271|6.089272|7.662269|7.080304|0.132152|4.095263|3.161613|5.119926|3.763128|2.292923|2.127285|1.886567|1.747917|1.785262|1.984788|2.192876|13.682463|36.858105| |1.183951|1.297084|1.309521|1.425943|1.569111|1.548754|1.401602|13.872852|2.379555|1.770918|2.887697|2.039054|14.068133|2.370534|3.703377|3.284713|4.245746|5.067681|5.366144|0.105905|3.208483|2.615968|4.358877|3.154690|1.980723|1.856061|1.666207|1.559929|1.597424|1.762135|1.918159|7.905086|13.770652|36.858105| |1.109481|1.209392|1.223683|1.327254|1.447326|1.424527|1.297738|12.606925|2.181084|1.632371|2.688797|1.864227|13.079280|2.192438|3.347340|2.949303|3.635073|4.468658|5.073949|0.104631|2.993323|2.497920|4.263159|2.979024|1.897415|1.769401|1.586129|1.484459|1.521130|1.680332|1.830827|6.832749|7.933219|13.743620|36.858105| |1.109118|1.211356|1.233786|1.343382|1.458851|1.422858|1.293633|12.466123|2.208944|1.672710|2.767910|1.923626|13.755511|2.343479|3.545359|3.187600|3.860671|5.058358|5.971634|0.127675|3.366440|2.795611|4.832686|3.248194|2.060805|1.894023|1.678361|1.557056|1.593363|1.774201|1.958744|7.900479|6.881279|7.951025|13.753658|36.858105| |1.182531|1.301273|1.333937|1.465985|1.597875|1.543534|1.390588|13.498009|2.451922|1.877773|3.093295|2.203392|15.929582|2.812169|4.314410|4.086159|5.093535|7.635911|8.686292|0.184280|4.441288|3.495498|5.941094|3.925522|2.420054|2.184925|1.904224|1.743732|1.779313|2.001663|2.253772|13.681489|7.944553|6.884669|7.935870|13.760937|36.858105| |17.548199|8.842863|6.701653|4.587505|3.941034|4.298355|5.874876|26.014756|4.170252|2.685053|4.845335|2.238770|13.939117|1.704150|2.319697|1.530071|1.465236|1.326829|1.767785|0.033934|1.404640|1.400073|2.311432|2.096156|1.517423|1.512184|1.606826|1.565238|1.444560|1.374010|1.401301|1.230341|1.231136|1.145278|1.073659|1.072670|1.142369|0.500000| |17.580955|8.838682|5.564504|4.160721|3.933423|4.747172|7.239833|29.815549|4.172772|2.607000|4.549848|2.214598|13.519311|1.681999|2.324677|1.542388|1.494870|1.349752|1.781127|0.034098|1.406343|1.385685|2.280470|2.058498|1.471009|1.447645|1.515296|1.462365|1.358755|1.308711|1.345628|1.258410|1.265300|1.180312|1.104738|1.099695|1.167621|0.301879|0.500000| |17.547438|8.842955|6.687738|4.583177|3.941569|4.302689|5.884795|26.047324|4.170454|2.687004|4.851693|2.240062|13.941869|1.705067|2.320510|1.531267|1.466223|1.328399|1.770679|0.033971|1.406581|1.402091|2.315195|2.098287|1.519214|1.491538|1.576072|1.515619|1.393001|1.332966|1.372970|1.231888|1.226120|1.141462|1.075028|1.078430|1.149149|0.302168|0.301885|0.500000| |6.989085|8.914008|17.702948|9.010194|5.648775|5.002280|5.686600|27.499756|5.665292|3.770244|7.306084|2.900697|18.113936|2.095343|2.782862|1.786863|1.666221|1.495992|2.019312|0.038578|1.637833|1.659770|2.721795|2.550939|1.873495|1.858043|2.014941|1.931088|1.731394|1.627988|1.676525|1.361373|1.341026|1.231879|1.157023|1.169410|1.261718|0.190203|0.140222|0.189429|0.500000| |4.092750|5.625298|8.953947|17.835468|8.935452|5.687161|4.975216|31.433848|9.593354|6.937259|15.339053|4.470275|26.812046|2.848370|3.705696|2.278970|2.062416|1.815441|2.467969|0.046593|2.056377|2.102908|3.381353|3.350736|2.454414|2.411750|2.645422|2.457030|2.143660|2.012445|2.110749|1.612870|1.570679|1.417990|1.324731|1.348939|1.478572|0.108336|0.095937|0.108203|0.217956|0.500000| |6.949470|8.906524|5.677069|4.968290|5.632333|8.987443|17.740387|55.032789|5.722474|3.274066|5.375320|2.771316|15.947988|1.991523|2.815580|1.847062|1.802491|1.595588|2.076050|0.039289|1.645986|1.595787|2.587011|2.378153|1.661113|1.616620|1.669874|1.589983|1.479590|1.441394|1.499232|1.478058|1.494532|1.380902|1.277846|1.266966|1.353246|0.151250|0.220611|0.151630|0.124326|0.107940|0.500000| |3.070594|4.039093|4.284942|5.743298|9.353801|7.539924|4.874597|62.531692|26.075042|9.481064|10.878297|7.847247|32.260360|3.786221|5.565548|3.270444|3.030387|2.491770|3.227936|0.058841|2.705732|2.581254|3.964542|4.056498|2.677994|2.520270|2.546964|2.303266|2.101993|2.085563|2.258972|2.170609|2.144700|1.885036|1.711774|1.723800|1.916055|0.078533|0.081077|0.078508|0.098212|0.143905|0.115992|0.500000| |2.292710|2.797624|3.058103|3.877812|4.733198|3.927605|3.076945|32.442496|9.695308|8.866100|10.990292|17.622383|56.412228|6.632220|9.888481|4.942416|4.121925|3.246399|4.314317|0.076342|3.873064|3.700661|5.386781|6.192321|3.809304|3.300939|3.180674|2.699680|2.434463|2.485479|2.841484|2.662181|2.507117|2.139018|1.957559|2.027153|2.332808|0.059789|0.060480|0.061030|0.075814|0.110704|0.076677|0.214513|0.500000| |2.293854|2.799864|3.061135|3.884268|4.744581|3.933916|3.079956|32.497691|9.754624|8.858333|10.934883|17.625988|56.462475|6.609622|9.907296|4.924903|4.116959|3.232213|4.281764|0.076044|3.842575|3.669589|5.344338|6.148609|3.782726|3.543309|3.455722|3.010911|2.743247|2.784789|3.120323|2.652336|2.556349|2.168288|1.952310|1.992628|2.281501|0.061011|0.060518|0.059849|0.075875|0.110902|0.076736|0.217128|0.303667|0.500000| |1.586678|1.805613|1.851644|2.103338|2.414350|2.318412|1.991012|21.284024|3.932286|2.973911|4.580048|3.805710|24.522736|4.545322|8.760560|8.531834|17.807525|8.721507|7.963284|0.126542|5.812618|4.141235|6.024910|5.294061|2.990244|2.668963|2.363310|2.117067|2.091118|2.293084|2.612415|6.440187|6.164907|4.353168|3.594532|3.644781|4.528533|0.042158|0.043436|0.042181|0.047373|0.058201|0.053262|0.090190|0.116642|0.116714|0.500000| |1.645836|1.875658|2.093511|2.448876|2.511046|2.161585|1.904477|16.740252|4.034849|3.717964|6.908001|4.409759|52.783659|7.146966|6.629994|4.131085|3.165308|2.925920|4.585889|0.087254|4.363892|5.866722|9.352670|12.420708|17.647246|8.868234|7.321855|4.778313|3.979436|4.181794|5.575836|2.395888|2.133152|1.857123|1.780061|1.922674|2.234593|0.044525|0.043039|0.044927|0.056239|0.075260|0.048474|0.078919|0.114633|0.108440|0.078631|0.500000| |1.439794|1.615803|1.768112|2.019199|2.083627|1.847891|1.648954|14.629454|3.280772|2.862667|5.163614|3.382416|34.172740|5.773164|5.922511|4.164186|3.230414|3.165666|5.291413|0.104852|4.976145|7.807011|15.064947|12.665920|17.689894|8.904963|5.922242|4.324907|3.996039|4.631278|6.777425|2.591324|2.251424|1.961968|1.907583|2.099544|2.466967|0.039068|0.038024|0.039296|0.047600|0.060673|0.042588|0.065727|0.090825|0.088138|0.077835|0.304294|0.500000| |1.723584|1.957237|2.231934|2.602023|2.558702|2.170030|1.940468|16.228213|3.979611|3.682495|7.408011|3.914034|42.167719|4.665945|4.887717|3.065718|2.502966|2.317511|3.491536|0.067597|3.114578|3.790028|6.353231|6.801546|7.015952|8.913719|17.714252|8.936307|5.654922|4.963647|5.650322|1.969243|1.815978|1.607866|1.531773|1.619216|1.832450|0.047437|0.044546|0.046866|0.061139|0.082410|0.048949|0.075320|0.094844|0.099767|0.064353|0.225524|0.152807|0.500000| |1.606241|1.787345|2.017158|2.273323|2.200692|1.913752|1.752989|14.289570|3.282508|2.849272|5.625075|2.902632|26.204178|3.197957|3.676307|2.417963|2.072082|1.954962|2.897129|0.057172|2.461368|2.851998|4.956792|4.579215|4.092910|5.633208|8.920696|17.715694|8.915296|5.649227|4.955624|1.711039|1.611741|1.448976|1.379528|1.439341|1.598404|0.045062|0.041605|0.043415|0.056094|0.070799|0.044625|0.062624|0.070891|0.078729|0.054053|0.113843|0.100087|0.216217|0.500000| |1.389915|1.528361|1.676644|1.857462|1.845522|1.654525|1.522589|12.740090|2.749513|2.297144|4.295424|2.425987|20.853526|2.842730|3.395088|2.344898|2.050300|1.985651|2.966128|0.059713|2.452282|2.812372|5.049825|4.200586|3.540135|4.929545|5.643468|8.916536|17.712873|8.899415|5.640605|1.759566|1.664650|1.503486|1.432977|1.491337|1.647905|0.039019|0.036539|0.037381|0.046169|0.055927|0.039411|0.054032|0.060641|0.068422|0.053056|0.090573|0.090907|0.124289|0.214606|0.500000| |1.294419|1.426769|1.541845|1.714269|1.749096|1.587444|1.447183|12.575394|2.653965|2.202609|3.974029|2.444356|21.128603|3.205176|3.859726|2.800631|2.432323|2.428913|3.761143|0.077405|3.087785|3.629629|6.810594|5.047262|4.087099|5.635008|4.963447|5.653063|8.905704|17.712104|8.939629|2.131809|1.981858|1.771956|1.693857|1.783606|1.997644|0.035955|0.034366|0.034807|0.041879|0.050803|0.037774|0.053368|0.062454|0.069879|0.061221|0.096138|0.109019|0.107698|0.124125|0.214573|0.500000| |1.351799|1.506656|1.629352|1.839812|1.909775|1.721546|1.544852|13.807530|2.977189|2.520366|4.466457|2.953385|27.173410|4.667504|5.321700|3.970775|3.219524|3.250012|5.439118|0.111657|4.806392|6.628262|13.320765|8.672836|6.985135|8.906597|5.656950|4.957749|5.645213|8.935647|17.739743|2.701071|2.398390|2.084883|1.999307|2.163127|2.519248|0.037081|0.035922|0.036472|0.043805|0.054537|0.040225|0.060440|0.076819|0.083044|0.077339|0.140476|0.192625|0.124177|0.107604|0.124162|0.215974|0.500000| |1.346559|1.496177|1.516234|1.674834|1.873182|1.837386|1.632141|16.687228|2.904894|2.164862|3.461516|2.568580|17.335692|3.005686|4.954380|4.539974|6.609921|7.090654|6.603082|0.119269|4.085494|3.153462|5.006079|3.851980|2.331181|2.183292|1.948158|1.809594|1.845420|2.041111|2.243959|8.911608|17.729114|8.929640|5.646666|4.957404|5.648950|0.036144|0.037175|0.035804|0.039280|0.046216|0.044377|0.064934|0.074733|0.078172|0.202257|0.060395|0.062559|0.052101|0.046415|0.047829|0.056436|0.067481|0.500000| |1.175351|1.283505|1.288312|1.395832|1.537608|1.530322|1.390658|13.792466|2.314705|1.705619|2.779496|1.942051|13.238382|2.186425|3.401299|2.927336|3.692215|4.126665|4.509745|0.088734|2.812115|2.341813|3.903481|2.882404|1.829504|1.733421|1.573108|1.484317|1.520645|1.663727|1.790246|5.634763|8.937983|17.718409|8.910173|5.649941|4.958153|0.031615|0.032671|0.031399|0.033635|0.038374|0.038257|0.051043|0.056312|0.057684|0.108421|0.047923|0.050046|0.042238|0.038510|0.040003|0.046560|0.053521|0.215831|0.500000| 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|1.053855|1.145923|1.167716|1.266169|1.365921|1.331945|1.217964|11.582052|2.054571|1.557793|2.597320|1.773739|12.785935|2.149337|3.190976|2.807872|3.262451|4.118485|5.178835|0.113515|3.006751|2.581723|4.555292|3.012228|1.945443|1.789103|1.591239|1.479639|1.513962|1.681247|1.849386|5.632763|4.956434|5.649073|8.911486|17.718749|8.934126|0.028331|0.029017|0.028555|0.030860|0.035375|0.033152|0.044259|0.051834|0.050596|0.085493|0.050601|0.055609|0.042714|0.038089|0.039466|0.047027|0.056643|0.107601|0.124124|0.214668|0.500000| 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