Version2.1 2021-01-13T01:13:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 31-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC(=C)C)[C@@H]1CCc2c(sc3c2c(=O)n(cn3)Cc4cc5ccccc5nc4)C1 C11790221 RHF 6-31G(d) (6D,7F) CC[NH+](CC(=C)C)[C@@H]1CCc2c(sc3c2c(=O)n(cn3)Cc4cc5ccccc5nc4)C1 C01[X(C26H29N4O1S1)] 177 C1 542 CC[NH+]([C@@H]1CCc2c(C1)sc1c2c(=O)n(cn1)Cc1cnc2c(c1)cccc2)CC(=C)C CC[NH+]([C@@H]1CCc2c(C1)sc1c2c(=O)n(cn1)Cc1cnc2c(c1)cccc2)CC(=C)C CC[NH+](CC(C)=C)[C@@H]1CCc2c(C1)sc3N=CN(Cc4cnc5ccccc5c4)C(=O)c23 InChIKey=DCWAYBCKCWRVED-HXUWFJFHSA-O InChI=1S/C26H28N4OS/c1-4-29(14-17(2)3)20-9-10-21-23(12-20)32-25-24(21)26(31)30(16-28-25)15-18-11-19-7-5-6-8-22(19)27-13-18/h5-8,11,13,16,20H,2,4,9-10,12,14-15H2,1,3H3/p+1/t20-/m1/s1 InChI=1/C26H28N4OS/c1-4-29(14-17(2)3)20-9-10-21-23(12-20)32-25-24(21)26(31)30(16-28-25)15-18-11-19-7-5-6-8-22(19)27-13-18/h5-8,11,13,16,20H,2,4,9-10,12,14-15H2,1,3H3/p+1/t20-/m1/s1/fC26H29N4OS/h29H/q+1 CC[NH+](CC(=C)C)[C@@H]1CCc2c(sc3c2c(=O)n(cn3)Cc4cc5ccccc5nc4)C1 C01[X(C26H29N4O1S1)] 177 C01 542 CC[NH+]([C@@H]1CCc2c(C1)sc1c2c(=O)n(cn1)Cc1cnc2c(c1)cccc2)CC(=C)C CC[NH]([C@@H]1CC[C]2=C(C1)S[C]1[C]2C(=O)N(C=[N]1)C[C]1[CH][N][C]2[C]([CH]=1)[CH]=[CH][CH]=[CH]2)CC(=C)C CC[NH](CC(C)=C)[C@@H]1CCC2=C(C1)S[C]3N=CN(CC4=C[C]5C=CC=C[C]5[N][CH]4)C(=O)[C]23 InChIKey=JGSCDLRMGGHSIA-HXUWFJFHSA-N InChI=1S/C26H29N4OS/c1-4-29(14-17(2)3)20-9-10-21-23(12-20)32-25-24(21)26(31)30(16-28-25)15-18-11-19-7-5-6-8-22(19)27-13-18/h5-8,11,13,16,20,29H,2,4,9-10,12,14-15H2,1,3H3/t20-/m1/s1 InChI=1/C26H29N4OS/c1-4-29(14-17(2)3)20-9-10-21-23(12-20)32-25-24(21)26(31)30(16-28-25)15-18-11-19-7-5-6-8-22(19)27-13-18/h5-8,11,13,16,20,29H,2,4,9-10,12,14-15H2,1,3H3/t20-/m1/s1 3200.9220504190 -1691.4457922 1-A 23288.0174 118 424 542 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06905 -20.61973 -15.84301 -15.71939 -15.65810 -15.62308 -11.45268 -11.43790 -11.43729 -11.43648 -11.42792 -11.40806 -11.38245 -11.38192 -11.37194 -11.36940 -11.36737 -11.36214 -11.35977 -11.35348 -11.35092 -11.34384 -11.33448 -11.33176 -11.32721 -11.32271 -11.31453 -11.30426 -11.29505 -11.29153 -11.29013 -11.28404 -9.07915 -6.76159 -6.76072 -6.75889 -1.49541 -1.47501 -1.41799 -1.33298 -1.32522 -1.28854 -1.24242 -1.23063 -1.20382 -1.18636 -1.17578 -1.16249 -1.12475 -1.10674 -1.09479 -1.08444 -1.07239 -1.07036 -1.03093 -1.02556 -1.01150 -0.97307 -0.96518 -0.93784 -0.92831 -0.90236 -0.88651 -0.88262 -0.87210 -0.84603 -0.84041 -0.82850 -0.80057 -0.79452 -0.78552 -0.77849 -0.76959 -0.76562 -0.76019 -0.75866 -0.75355 -0.74015 -0.73309 -0.72059 -0.71263 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0.0732 0.0285 0.0583 0.0829 0.0966 0.1487 0.0394 0.1098 0.1353 0.1263 0.3487 0.1141 0.3249 0.2996 0.2998 0.2093 0.3139 0.3421 0.4916 0.6363 0.4277 0.2903 0.5379 0.3377 0.5779 0.3776 0.5774 0.6035 0.7905 1.0970 1.3949 0.9239 0.8841 1.4279 0.6240 1.7930 1.2906 1.4491 1.4106 3.0472 0.5887 2.4509 1.6537 0.8361 1.9658 0.6676 1.0696 0.7342 1.2039 1.8795 1.4398 0.8769 1.9336 1.9740 0.8613 1.5056 1.0501 1.1970 1.4112 1.7185 1.3965 2.0666 1.2440 1.5321 1.7569 1.0173 1.1524 1.2366 1.4408 1.6925 0.9853 2.1423 1.0092 2.3568 1.4503 1.6681 1.9871 1.6752 1.8271 1.8014 1.5391 2.7379 1.4944 1.5406 1.2515 1.8417 1.5284 1.5738 2.6530 2.3902 1.6525 2.1625 2.0184 2.0378 1.6577 1.4859 1.6210 4.7760 2.5495 1.9522 2.8094 1.9068 3.2670 1.9222 2.1971 2.1442 1.7575 2.0412 2.6001 1.7360 1.8687 2.1226 3.5886 3.6320 1.9843 1.8675 1.7186 1.6450 3.9101 1.6687 1.6796 1.7386 1.7693 1.7036 1.7927 1.7581 5.0386 1.7925 15.5521 12.8866 13.5227 12.9555 10.3768 12.6761 9.3738 25.9669 6.3941 6.4967 6.3047 6.3771 6.5822 6.8838 6.8698 6.7465 7.0163 7.0279 6.9705 7.0922 7.0782 7.0570 7.0023 6.9695 7.0394 7.2197 7.2864 7.2473 7.2902 7.4083 7.3233 7.5066 7.4220 7.4927 7.5249 7.7449 8.6292 1.4599 0.3429 1.1424 0.0628 0.5368 0.1728 0.5372 3.2254 1.8008 2.2204 2.5327 2.5208 0.6903 0.7762 0.2300 0.2576 0.1198 7.5335 0.6262 2.5053 1.6611 1.9912 0.1493 0.7899 2.7679 0.4221 2.5106 0.4556 12.6396 6.0838 2.6832 2.9866 1.3813 4.5696 4.8346 0.1084 4.9098 3.4003 12.1127 7.0274 11.2312 6.4188 0.6138 5.0671 4.6174 5.4829 0.3883 5.9952 3.2029 0.2126 6.9809 0.1811 8.0693 15.3996 3.6413 2.6921 3.2127 33.4121 9.9754 1.5218 29.0039 59.5464 21.8777 1.0843 13.1646 9.1064 3.5098 16.7372 8.5466 40.4138 23.1167 19.2017 4.1208 32.8380 10.9328 8.0730 48.5997 1.3664 7.4500 0.4831 28.3763 25.1412 34.1769 58.7669 0.0937 14.4746 19.5949 16.6574 4.1609 1.9374 0.0788 14.9498 5.7027 77.8824 7.6040 5.3184 1.5611 4.3224 2.2957 18.9130 37.8348 19.6928 13.7106 0.8545 43.8436 5.6174 5.1834 37.9790 17.4435 16.5656 68.7575 7.3870 2.7655 33.7538 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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 6844.0363 36940.5531 40056.8224 0.99997 0.00782 -0.00153 -0.00785 0.99981 -0.01780 0.00139 0.01781 0.99984 1 0.01266 0.00234 0.00216 0.26370 0.04886 0.04505 15.39 27.77 34.96 49.41 54.62 71.27 98.49 116.10 147.54 160.86 169.02 195.88 233.86 239.09 267.08 295.23 299.84 315.28 342.94 372.02 386.41 409.27 429.42 436.05 468.03 514.72 529.06 561.18 571.78 601.51 624.97 630.51 656.09 661.71 684.83 704.39 745.96 753.57 779.09 786.45 790.48 818.64 824.78 865.88 895.08 928.13 952.62 961.35 992.16 1017.15 1043.74 1054.03 1099.25 1146.16 1167.52 1205.63 1212.58 1223.99 1246.79 1259.77 1266.43 1282.60 1293.71 1327.14 1360.06 1381.49 1409.54 1425.91 1459.50 1462.94 1477.36 1517.85 1519.81 1536.71 1548.65 1558.03 1575.26 1581.98 1586.12 1586.51 1593.14 1603.20 1613.67 1616.48 1630.12 1652.34 1668.48 1703.85 1706.66 1715.33 1736.76 1785.63 1792.18 1811.12 1823.39 1856.75 1860.91 1863.12 1884.32 1954.25 1967.10 1970.39 1984.18 2004.42 2020.55 2028.15 2053.27 2078.09 2087.97 2110.65 2130.99 2133.71 2160.61 2171.75 2177.89 2183.96 2204.13 2214.52 2223.96 2233.23 2243.21 2257.14 2276.09 2279.81 2287.35 2290.21 2296.35 2315.68 2337.15 2342.92 2347.72 2348.90 2354.42 2360.00 2362.02 2371.04 2381.76 2390.20 2407.41 2407.89 2431.39 2566.27 2571.49 2609.61 2621.08 2657.95 2697.67 2773.95 4579.00 4608.39 4612.70 4636.70 4647.62 4685.67 4698.66 4707.37 4737.08 4749.14 4754.73 4761.66 4767.15 4774.50 4786.88 4790.42 4818.05 4818.50 4825.22 4835.68 4842.51 4851.21 4855.41 4874.95 4878.32 4897.83 4913.58 4934.41 5304.06 0.552372 0.578867 0.579812 0.492186 -1690.893421 -1690.866925 -1690.865981 -1690.953606 2.938957D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CC[NH+](CC(=C)C)[C@@H]1CCc2c(sc3c2c(=O)n(cn3)Cc4cc5ccccc5nc4)C1 C11790221 RHF 6-31G(d) (6D,10F) C1 445.206209 |X|Y|Z| 53.332507 34.597256 138.731439 63.494511 24 6 7 16 20 3 1 |36.858105| |12.500605|36.858105| |7.478851|12.590571|53.358707| |7.093330|9.420455|25.703118|0.500000| |6.284825|7.478477|16.972667|0.260761|36.858105| |4.788044|5.713560|10.028138|0.157002|12.593547|36.858105| |3.633485|4.177737|7.263261|0.125151|7.812690|14.405156|36.858105| |4.838446|5.636213|7.878993|0.125576|7.287862|12.593157|7.687899|36.858105| |4.857879|7.454599|16.924646|0.258369|7.471902|6.271361|5.195367|5.048257|36.858105| |4.456713|6.624905|12.382799|0.182909|7.101502|7.362075|6.041711|6.121501|17.644659|0.500000| |3.788226|4.924764|10.328630|0.205658|6.251535|5.295528|5.077688|4.028179|12.426338|0.244995|36.858105| |2.983784|3.752266|6.696585|0.130687|4.345663|4.181665|4.295286|3.423365|7.537278|0.193257|12.429449|36.858105| |2.874489|3.664651|5.986247|0.116762|3.649141|3.519580|3.447062|3.103086|6.708038|0.173173|7.616149|12.673098|36.858105| |3.272517|4.356281|6.747308|0.130276|3.791302|3.560403|3.298107|3.250585|7.693942|0.187914|6.797006|7.637524|14.199606|36.858105| |2.730823|3.425729|4.832801|0.095003|2.866447|2.754715|2.577529|2.644671|4.625220|0.121995|4.193303|4.717829|7.363385|10.884943|388.023441| |2.306186|2.801793|4.121859|0.081549|2.586349|2.542659|2.481691|2.395872|3.929309|0.106634|3.966006|5.042629|8.141048|7.708609|78.270495|36.858105| |2.382570|2.911957|4.501121|0.088890|2.868170|2.831428|2.828333|2.581444|4.472039|0.121360|4.906688|7.259407|13.201175|8.265178|52.689094|13.984014|36.858105| |2.067950|2.449671|3.786208|0.075300|2.529196|2.538251|2.619684|2.307501|3.559200|0.098499|4.061792|5.918995|7.330303|5.145254|34.318315|7.872816|13.162906|36.858105| |2.026004|2.374539|3.744761|0.074631|2.579195|2.609088|2.771340|2.325578|3.468398|0.096534|4.157748|6.194821|6.261404|4.398876|27.478077|5.370417|8.072327|15.840921|73.516695| |1.839366|2.141352|3.208116|0.064046|2.153031|2.165392|2.217380|2.016109|2.898358|0.080530|3.162857|4.155317|5.066861|4.108916|30.994229|7.205470|8.053645|13.652366|14.911206|53.358707| |1.825969|2.125867|3.105664|0.061981|2.050977|2.051527|2.059483|1.946012|2.778405|0.076950|2.905898|3.628797|4.643669|4.124733|35.238540|8.610409|7.113159|7.913605|9.669225|19.115658|36.858105| |1.995607|2.355576|3.394932|0.067569|2.186232|2.167615|2.133575|2.072598|3.073345|0.084452|3.107762|3.798321|5.224471|5.004264|49.978891|14.042207|7.871487|6.662368|8.340923|11.027163|14.914353|53.358707| |1.631560|1.862828|2.781514|0.055738|1.912753|1.937058|2.011643|1.806913|2.435697|0.068045|2.673900|3.383772|3.768245|3.150056|23.165780|4.624773|5.085957|7.694378|12.283103|17.543250|7.798824|7.083437|36.858105| |1.543320|1.754429|2.590413|0.051318|1.804695|1.863426|1.945678|1.764376|2.243686|0.064049|2.404366|2.977113|3.252082|2.795260|20.627153|3.895097|4.150364|5.602193|9.443846|10.406997|5.998335|5.964048|12.624042|36.858105| |1.413420|1.590726|2.313357|0.045920|1.613290|1.663321|1.723490|1.594877|1.968028|0.056093|2.072208|2.480103|2.712524|2.420840|18.330700|3.314278|3.348663|4.129249|6.888029|7.413023|5.041296|5.246946|7.584909|14.031255|36.858105| |1.340722|1.500308|2.165229|0.042737|1.524935|1.589770|1.651525|1.540902|1.821541|0.052474|1.893347|2.226029|2.395531|2.172379|16.321548|2.823757|2.845891|3.354226|5.733200|5.524125|3.867229|4.340997|4.999764|7.925915|13.434966|36.858105| |1.233069|1.367543|1.953651|0.038669|1.377239|1.430974|1.477506|1.397704|1.620936|0.046524|1.669638|1.921333|2.063673|1.910616|14.496526|2.430170|2.401210|2.729618|4.654660|4.403042|3.216684|3.746298|3.806168|5.122776|7.639288|13.436587|36.858105| |1.176068|1.297447|1.844238|0.036392|1.309704|1.369829|1.416260|1.347894|1.516488|0.043769|1.550800|1.762703|1.871963|1.748041|13.144406|2.147123|2.129062|2.372414|4.095669|3.684989|2.688960|3.236453|3.072350|3.960163|5.118374|7.913137|14.019243|36.858105| |1.203576|1.329168|1.893254|0.037150|1.355206|1.432725|1.491165|1.413815|1.556681|0.045347|1.588949|1.806757|1.896686|1.764195|13.057184|2.117504|2.130864|2.370082|4.151212|3.580245|2.562435|3.119881|2.939937|3.819754|4.532738|6.837723|7.915099|13.448328|36.858105| |1.297905|1.443685|2.073695|0.040520|1.488023|1.584309|1.661911|1.555492|1.722111|0.050510|1.767418|2.038710|2.129557|1.951965|14.261253|2.346464|2.404580|2.720287|4.816589|4.071674|2.834582|3.415806|3.362112|4.579721|5.131357|7.826600|6.816963|7.897187|14.012846|36.858105| |1.381311|1.549220|2.244566|0.043960|1.597145|1.689245|1.772330|1.640438|1.891312|0.055219|1.962873|2.315146|2.446562|2.202587|16.150997|2.756588|2.848709|3.345539|5.883609|5.187319|3.516830|4.071048|4.482163|6.944236|7.898535|13.560517|7.814125|6.820259|7.918201|13.449765|36.858105| |1.501127|1.698259|2.493541|0.048606|1.781162|1.898539|2.014971|1.824952|2.130439|0.062695|2.236808|2.701373|2.817941|2.471363|17.642269|3.061537|3.291491|3.992780|7.241097|5.946338|3.794050|4.375379|5.077496|7.938639|6.847740|7.876067|5.152640|4.588626|5.249066|7.981921|14.019593|53.358707| |1.591600|1.815109|2.696609|0.052824|1.906348|2.008119|2.128655|1.901673|2.343284|0.068261|2.508154|3.129657|3.304891|2.808888|19.959965|3.640276|4.038302|5.321943|9.696535|8.189154|4.762655|5.207580|7.487516|13.359651|8.001505|6.988424|4.599766|3.870936|4.068113|5.348100|8.362786|20.128020|36.858105| |4.405466|6.572210|10.212988|0.189789|4.875556|4.282373|3.694697|3.893453|12.407079|0.245809|7.584767|6.291310|7.515196|12.661247|47.720055|4.826807|5.064542|3.737081|6.092904|4.238574|3.113682|4.935429|2.539001|2.310170|2.042598|1.872073|1.672724|1.553311|1.576393|1.730471|1.912001|2.891919|2.351623|36.858105| |17.548207|8.758413|9.411453|0.213020|5.886691|4.262840|3.386224|4.032157|4.556185|0.111469|3.782245|2.938139|2.801716|3.149313|18.678044|2.242512|2.327974|2.033017|3.556876|2.460599|1.788287|2.648141|1.609242|1.509966|1.382532|1.305556|1.201714|1.143184|1.165698|1.254790|1.338876|1.977856|1.547620|4.166429|0.500000| |17.585760|8.982944|7.531964|0.147615|4.683543|3.901576|3.081360|4.146394|4.090460|0.106443|3.239861|2.661076|2.638833|3.040237|18.814103|2.208177|2.235643|1.941676|3.350949|2.383714|1.759168|2.631034|1.555568|1.477060|1.363120|1.296540|1.199162|1.145823|1.169738|1.254922|1.330972|1.954256|1.515824|3.989775|0.302913|0.500000| |17.625454|8.686880|8.762253|0.163073|6.580987|5.256632|3.906597|5.523629|4.343238|0.116146|3.505658|2.803080|2.646654|2.926972|17.473862|2.128426|2.217633|1.956935|3.445069|2.372934|1.718852|2.529058|1.561799|1.489411|1.365638|1.303566|1.200054|1.150123|1.182696|1.276453|1.350931|2.000406|1.547990|3.771195|0.300233|0.303662|0.500000| |8.778389|17.683477|12.312171|0.182561|6.705504|6.120807|4.367443|6.954482|6.865791|0.197284|4.504407|3.634141|3.595589|4.251072|24.310308|2.805240|2.897949|2.444477|4.201162|2.921985|2.137648|3.225221|1.868596|1.782817|1.619052|1.538355|1.401628|1.335503|1.375451|1.497324|1.599444|2.389399|1.861530|6.065838|0.172251|0.208314|0.212036|0.500000| |8.955146|17.709984|12.433455|0.229670|5.548236|4.465352|3.515025|4.397865|7.055958|0.165276|4.754861|3.737155|3.852106|4.851068|27.653869|3.030065|3.070605|2.529961|4.279295|3.030406|2.243672|3.443898|1.915642|1.789600|1.626683|1.524753|1.391978|1.314417|1.337742|1.447935|1.560856|2.316851|1.829163|7.793585|0.208295|0.224583|0.173677|0.303217|0.500000| |4.977973|5.611974|12.363486|0.240914|17.700827|8.915078|7.564490|5.431842|6.721741|0.168690|6.917514|4.627397|3.681766|3.667569|19.630582|2.560606|2.896333|2.597868|4.799378|2.982423|2.058518|2.951391|1.959748|1.832744|1.629691|1.532614|1.380425|1.308760|1.352222|1.486931|1.602770|2.441641|1.933097|4.487644|0.140416|0.108065|0.141174|0.138264|0.127999|0.500000| |7.631798|7.321335|12.372307|0.221871|17.670395|8.874900|6.048388|6.665330|5.540723|0.146219|4.738300|3.515280|3.073277|3.238709|18.220577|2.299000|2.496190|2.223138|4.010518|2.625995|1.855249|2.690826|1.730343|1.639289|1.480647|1.405975|1.280154|1.222215|1.262465|1.376578|1.467426|2.205820|1.721741|4.118577|0.200258|0.149205|0.250379|0.177253|0.148146|0.305305|0.500000| |3.144525|3.553253|5.747856|0.100938|5.541993|9.099728|17.728351|7.049957|4.251875|0.139938|4.135230|3.775101|3.131964|2.979357|17.109071|2.349893|2.657504|2.506806|4.727999|2.925199|1.995137|2.790551|1.972170|1.940072|1.724705|1.671064|1.495671|1.443846|1.533584|1.715470|1.813079|2.812435|2.151754|3.230651|0.080890|0.076350|0.094288|0.106026|0.084994|0.147410|0.130206|0.500000| |3.359546|3.805729|6.867603|0.125414|7.164300|9.042293|17.717405|5.480774|5.020952|0.150858|5.527258|4.626058|3.524407|3.268646|18.019958|2.487063|2.887046|2.716634|5.220471|3.096024|2.083661|2.909330|2.076024|1.985499|1.747538|1.662557|1.482806|1.414893|1.484868|1.656475|1.777964|2.761603|2.165198|3.584248|0.090204|0.079211|0.098227|0.105732|0.091392|0.232320|0.154628|0.290262|0.500000| |5.581573|5.813360|7.395811|0.122316|6.780522|8.812392|5.866425|17.543410|4.385734|0.136732|3.546029|2.986167|2.751389|2.924457|17.318419|2.184172|2.318783|2.078232|3.707473|2.502205|1.788774|2.598187|1.656355|1.613653|1.471040|1.422384|1.300263|1.256199|1.311966|1.431805|1.503892|2.254002|1.721776|3.546042|0.124735|0.132590|0.195001|0.195008|0.123224|0.140100|0.201185|0.149176|0.127148|0.500000| |4.861255|6.198299|8.056988|0.125570|6.244230|8.765736|6.062481|17.541776|5.539366|0.198059|4.123072|3.581762|3.378777|3.649185|21.155516|2.631808|2.797107|2.449038|4.309790|2.916748|2.091396|3.073037|1.895771|1.853619|1.675767|1.617108|1.464745|1.409537|1.476274|1.625104|1.718916|2.600447|1.993619|4.432677|0.110075|0.119704|0.144192|0.240487|0.137187|0.132358|0.154706|0.157928|0.129207|0.301655|0.500000| |3.828988|4.278667|6.020375|0.101273|5.442736|8.892583|7.350678|17.614331|4.117545|0.138077|3.495177|3.117897|2.827955|2.893632|17.174695|2.240782|2.416037|2.205001|3.982870|2.643614|1.866837|2.676238|1.761711|1.742285|1.579512|1.540400|1.398680|1.357774|1.434939|1.582189|1.654561|2.508064|1.897968|3.303248|0.091792|0.094647|0.120314|0.141137|0.098341|0.124399|0.141015|0.223477|0.144476|0.302419|0.303741|0.500000| |3.741033|4.667215|9.287715|0.216317|5.428315|4.344458|4.115528|3.442993|8.877634|0.173848|17.505441|8.834081|6.655761|6.286918|29.095941|3.821068|4.581862|3.817815|6.859718|4.138395|2.824533|4.126158|2.582265|2.284103|1.985816|1.802361|1.600985|1.482234|1.505475|1.659821|1.843771|2.823425|2.331219|7.074906|0.108270|0.089457|0.094039|0.113325|0.130690|0.171073|0.122463|0.095228|0.125194|0.087613|0.097289|0.083480|0.500000| |3.691037|4.549022|9.605720|0.189936|7.187674|6.108646|6.302226|4.266011|8.747939|0.207630|17.639711|8.930698|5.583445|4.960356|24.257295|3.313035|4.037905|3.578382|6.782285|3.867921|2.584248|3.677016|2.482223|2.265799|1.960141|1.809358|1.599639|1.496224|1.542791|1.718181|1.892288|2.942181|2.396613|5.499304|0.102942|0.086439|0.098497|0.116939|0.115992|0.253621|0.145564|0.134847|0.210705|0.103559|0.115045|0.103872|0.302656|0.500000| |2.658646|3.203475|5.572140|0.113642|3.761335|3.574643|3.769156|2.945264|5.520467|0.140394|8.857971|17.618654|8.921368|5.826227|29.098653|4.621120|6.666455|6.221217|12.732175|5.855372|3.614963|4.955469|3.596827|3.068880|2.532974|2.245352|1.933206|1.762927|1.797486|2.025708|2.316618|3.680105|3.181256|4.880130|0.074131|0.066320|0.069807|0.085185|0.088983|0.115147|0.087150|0.093363|0.116742|0.072831|0.083805|0.075759|0.220249|0.210140|0.500000| |2.833614|3.527001|6.146951|0.115198|4.270551|4.460587|4.842118|3.651961|6.554529|0.195405|8.806196|17.546992|8.941816|6.097618|29.630809|4.548309|6.351051|5.686182|11.174018|5.514491|3.485932|4.852045|3.388836|3.093752|2.555475|2.327304|1.991637|1.839575|1.911519|2.185713|2.476026|4.018191|3.392159|5.245501|0.076185|0.070397|0.075656|0.098375|0.094948|0.124381|0.095573|0.121522|0.143459|0.086132|0.105738|0.094684|0.173918|0.221678|0.305904|0.500000| |1.662787|1.908051|2.755629|0.055138|1.839457|1.844548|1.854258|1.764732|2.405415|0.066810|2.497807|3.020379|3.680582|3.370612|28.653043|5.947825|5.078965|5.702618|7.828197|12.606748|17.743633|12.821694|7.473702|6.213770|5.809583|4.291319|3.627292|2.944704|2.722332|2.950473|3.679772|5.134271|4.600029|2.666915|0.045289|0.044772|0.043667|0.053379|0.055787|0.051246|0.046683|0.050240|0.052028|0.045374|0.052442|0.047330|0.067846|0.062746|0.084212|0.081554|0.500000| |1.542468|1.745470|2.581131|0.052134|1.769029|1.774467|1.827882|1.663306|2.225829|0.061547|2.424146|2.970809|3.320323|2.872040|21.693086|4.200218|4.351215|5.861180|9.304301|12.473974|7.320110|6.740528|17.611993|8.898538|7.274151|4.726031|3.803571|3.021633|2.799288|3.086134|3.990218|5.721407|5.549244|2.348645|0.042446|0.041071|0.040916|0.048399|0.050153|0.050318|0.044843|0.049643|0.052357|0.042732|0.048405|0.044949|0.066171|0.062515|0.087792|0.081098|0.223835|0.500000| |1.641260|1.867099|2.827467|0.056941|1.965094|1.985137|2.086421|1.826257|2.469271|0.068630|2.786917|3.561534|3.773962|3.079849|21.619890|4.156320|4.866690|7.622824|14.637203|12.600377|5.820563|5.912392|17.685005|8.862374|5.834168|4.269673|3.339742|2.783486|2.714828|3.117426|4.032124|6.420406|6.817684|2.517275|0.045196|0.043178|0.043780|0.051728|0.052962|0.056597|0.049231|0.056667|0.060614|0.046446|0.052706|0.049491|0.074914|0.072751|0.109218|0.099274|0.149416|0.302909|0.500000| |1.367155|1.531568|2.216413|0.044285|1.537193|1.569090|1.614292|1.505304|1.873121|0.052846|1.969640|2.328381|2.566960|2.322554|17.895163|3.212497|3.164405|3.810786|6.253134|6.963757|5.035263|5.230006|6.949582|8.968793|17.680833|8.830576|6.986372|4.673045|3.931366|4.155230|5.620916|6.718609|5.641322|1.965349|0.037291|0.036752|0.036568|0.043074|0.043758|0.043160|0.039376|0.044611|0.045528|0.038815|0.043915|0.041219|0.053073|0.051557|0.066364|0.065486|0.173656|0.220309|0.148554|0.500000| |1.200746|1.327916|1.891831|0.037628|1.327420|1.368149|1.405399|1.334980|1.564472|0.044562|1.612040|1.844861|1.993613|1.858070|14.254426|2.384167|2.325375|2.624586|4.432244|4.289937|3.205920|3.731542|3.704025|4.672746|6.980929|8.829190|17.706742|8.988055|5.620886|4.922033|5.590555|5.674523|3.972085|1.627145|0.032607|0.032513|0.032364|0.037643|0.037717|0.036992|0.034370|0.039301|0.039251|0.034650|0.038856|0.036940|0.043286|0.042757|0.051760|0.052509|0.103224|0.107592|0.089711|0.210066|0.500000| |1.110210|1.217993|1.722302|0.034063|1.223431|1.275534|1.313839|1.259252|1.405332|0.040430|1.431906|1.610265|1.708150|1.610063|12.147951|1.954905|1.924703|2.115313|3.647568|3.260172|2.408843|2.943169|2.678473|3.296477|4.137928|5.624990|9.007097|17.726342|8.824737|5.643674|4.925421|4.961657|3.186618|1.442542|0.030009|0.030141|0.030170|0.034785|0.034311|0.033927|0.031864|0.037169|0.036428|0.032763|0.036530|0.035224|0.038191|0.038416|0.044728|0.046419|0.073396|0.074390|0.067995|0.110626|0.216159|0.500000| |1.151263|1.264553|1.793214|0.035162|1.289809|1.367251|1.422393|1.356676|1.462069|0.042654|1.485045|1.669612|1.740933|1.631989|12.026722|1.915955|1.926694|2.112033|3.715839|3.134965|2.254060|2.793323|2.528030|3.156017|3.609575|4.934238|5.652731|8.833809|17.723037|9.012355|5.629098|5.764619|3.380392|1.474960|0.030942|0.031139|0.031528|0.036417|0.035258|0.035680|0.033517|0.040798|0.039228|0.035080|0.039254|0.038411|0.039095|0.040235|0.046014|0.049094|0.065932|0.067164|0.065749|0.089623|0.124061|0.214161|0.500000| |1.314278|1.460565|2.100479|0.040859|1.520400|1.635169|1.726783|1.610208|1.738901|0.051406|1.780508|2.044443|2.106300|1.930173|13.887025|2.253371|2.335803|2.616471|4.700237|3.794414|2.617921|3.210069|3.061131|4.005767|4.184904|5.612310|4.925072|5.604637|8.939509|17.743081|8.894373|10.038080|4.925552|1.727272|0.035196|0.035229|0.036082|0.042261|0.040430|0.042147|0.039053|0.049978|0.047649|0.041040|0.046595|0.045859|0.046132|0.048442|0.056147|0.061612|0.074062|0.077170|0.080634|0.096184|0.107037|0.123683|0.214703|0.500000| |1.707445|1.961415|2.961887|0.057822|2.104740|2.228912|2.393577|2.080222|2.609891|0.076438|2.848328|3.667946|3.763125|3.086434|21.056523|3.847540|4.542118|6.236586|12.458030|8.419310|4.622827|5.208494|6.979053|8.806599|5.682926|5.009619|3.650980|3.194601|3.391014|4.325419|5.871602|12.849339|17.689951|2.569363|0.046119|0.044808|0.046187|0.055822|0.054570|0.059655|0.052257|0.067123|0.068156|0.051842|0.060372|0.057621|0.072486|0.075931|0.104207|0.113555|0.117197|0.140468|0.197783|0.123990|0.090273|0.075300|0.081239|0.117354|0.500000| |4.616177|7.102043|9.040912|0.160086|4.501426|4.128493|3.479706|4.040795|8.776026|0.218622|5.517571|4.856788|5.773652|8.978711|46.142483|4.425804|4.367258|3.316576|5.375896|3.899444|2.933507|4.700110|2.360821|2.192536|1.965730|1.822652|1.641086|1.533814|1.559237|1.703763|1.864879|2.795166|2.238432|17.592731|0.115537|0.120923|0.108930|0.198597|0.248547|0.110354|0.109567|0.086452|0.090842|0.103352|0.134100|0.094818|0.141793|0.122850|0.108607|0.121671|0.070844|0.060975|0.064201|0.052552|0.044314|0.039690|0.040693|0.047326|0.067075|0.500000| 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