Version2.1 2021-01-08T12:11:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N[C@H]3CCS(=O)(=O)C3)NC(=O)c4ccc(cc4)Cl)C1 C39836449 RHF 6-31G(d) (6D,7F) CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N[C@H]3CCS(=O)(=O)C3)NC(=O)c4ccc(cc4)Cl)C1 C01[X(C24H29Cl1N2O4S2)] 180 C1 565 Clc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C2)C(C)(C)C Clc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCc2c(C1)sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)N[C@H]4CC[S](=O)(=O)C4 InChIKey=QYACGNQIJPBAEI-WBVHZDCISA-N InChI=1S/C24H29ClN2O4S2/c1-24(2,3)15-6-9-18-19(12-15)32-23(27-21(28)14-4-7-16(25)8-5-14)20(18)22(29)26-17-10-11-33(30,31)13-17/h4-5,7-8,15,17H,6,9-13H2,1-3H3,(H,26,29)(H,27,28)/t15-,17+/m1/s1 InChI=1/C24H29ClN2O4S2/c1-24(2,3)15-6-9-18-19(12-15)32-23(27-21(28)14-4-7-16(25)8-5-14)20(18)22(29)26-17-10-11-33(30,31)13-17/h4-5,7-8,15,17H,6,9-13H2,1-3H3,(H,26,29)(H,27,28)/t15-,17+/m1/s1/f/h26-27H CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N[C@H]3CCS(=O)(=O)C3)NC(=O)c4ccc(cc4)Cl)C1 C01[X(C24H29Cl1N2O4S2)] 180 C01 565 Clc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C2)C(C)(C)C Cl[C]1[CH][CH][C]([CH][CH]1)C(=O)N[C]1SC2=[C]([C]1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C2)C(C)(C)C CC(C)(C)[C@@H]1CCC2=C(C1)S[C](NC(=O)[C]3[CH][CH][C](Cl)[CH][CH]3)[C]2C(=O)N[C@H]4CC[S](=O)(=O)C4 InChIKey=QYACGNQIJPBAEI-WBVHZDCISA-N InChI=1S/C24H29ClN2O4S2/c1-24(2,3)15-6-9-18-19(12-15)32-23(27-21(28)14-4-7-16(25)8-5-14)20(18)22(29)26-17-10-11-33(30,31)13-17/h4-5,7-8,15,17H,6,9-13H2,1-3H3,(H,26,29)(H,27,28)/t15-,17+/m1/s1 InChI=1/C24H29ClN2O4S2/c1-24(2,3)15-6-9-18-19(12-15)32-23(27-21(28)14-4-7-16(25)8-5-14)20(18)22(29)26-17-10-11-33(30,31)13-17/h4-5,7-8,15,17H,6,9-13H2,1-3H3,(H,26,29)(H,27,28)/t15-,17+/m1/s1/f/h26-27H 3860.4966143306 -2588.5592843 1-A 26766.0883 134 431 565 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.83544 -92.18150 -91.98043 -20.55182 -20.55105 -20.55102 -20.54964 -15.61787 -15.61251 -11.38106 -11.37646 -11.33966 -11.31883 -11.31158 -11.28082 -11.27370 -11.27268 -11.26780 -11.26421 -11.26129 -11.25974 -11.25940 -11.25734 -11.25462 -11.25137 -11.25079 -11.24708 -11.24225 -11.24114 -11.23525 -11.21856 -11.21840 -11.21770 -10.56890 -9.15979 -8.98986 -8.03829 -8.03491 -8.03490 -6.84558 -6.84459 -6.84451 -6.67222 -6.67113 -6.66946 -1.46191 -1.42397 -1.41853 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0.8494 0.8322 0.6273 0.7264 0.5997 0.7950 0.6336 0.4298 0.8562 0.8407 0.8199 0.3166 0.2187 0.8022 0.8069 0.7819 0.8237 0.8559 0.8479 0.8488 0.8486 0.8087 0.8546 0.8141 0.8176 0.2602 0.4649 0.4912 0.4096 0.6826 0.6202 0.4423 0.3782 0.3407 0.5400 0.1086 0.2889 0.7433 0.1041 0.1316 0.2307 0.3088 0.7010 0.8282 0.6530 0.8518 0.3654 0.7121 0.8218 0.8546 0.2481 0.7223 0.5947 0.1842 0.7813 0.7627 0.6609 0.6508 0.2736 0.2803 0.2481 0.2651 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 60 61 62 6 6 6 6 6 1 6 6 6 6 16 6 6 6 8 7 6 1 6 6 16 8 8 6 7 6 8 6 6 6 6 6 6 17 6 1 1 1 1 1 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 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783 1.00783 1.00783 1.00783 1.00783 19351.4663 30651.2018 48230.9145 0.99906 -0.04333 0.00097 0.04332 0.99903 0.00726 -0.00129 -0.00722 0.99997 1 0.00448 0.00283 0.00180 0.09326 0.05888 0.03742 18.45 24.93 28.50 43.70 49.04 58.38 64.49 72.45 94.33 106.94 135.61 152.02 168.26 192.23 227.86 241.57 260.11 286.36 304.17 343.24 355.74 360.53 400.40 412.52 424.60 438.46 449.12 458.24 463.48 497.54 509.14 534.89 544.58 552.25 567.00 586.11 601.02 607.31 645.43 657.42 662.02 683.11 690.09 712.76 757.37 765.02 776.24 793.62 824.55 840.99 871.09 888.38 894.46 920.79 989.14 995.58 1028.81 1086.93 1108.62 1113.58 1147.23 1165.31 1179.61 1218.29 1228.55 1259.66 1275.00 1299.96 1316.89 1357.10 1361.44 1386.61 1416.10 1420.12 1443.91 1446.95 1460.76 1466.03 1492.36 1509.84 1517.93 1540.72 1563.78 1579.30 1591.71 1601.31 1607.92 1611.15 1637.66 1658.53 1691.40 1721.64 1729.67 1733.55 1743.59 1746.00 1755.74 1757.34 1773.18 1814.36 1849.86 1855.01 1888.97 1893.35 1894.25 1928.31 1946.75 1964.26 1977.67 1999.33 2009.21 2013.01 2019.06 2038.36 2066.33 2076.96 2094.55 2105.67 2115.61 2122.96 2140.73 2167.45 2196.76 2212.30 2233.51 2238.41 2239.90 2242.25 2244.98 2285.96 2287.67 2312.37 2314.70 2346.91 2350.80 2355.17 2355.77 2364.50 2368.68 2380.44 2384.71 2390.46 2401.58 2409.35 2451.10 2522.89 2539.53 2574.71 2597.16 2690.98 2810.29 4536.56 4563.97 4601.93 4606.16 4613.52 4620.82 4631.62 4638.29 4668.44 4680.05 4684.03 4690.30 4696.32 4700.96 4702.22 4710.54 4715.19 4721.68 4724.67 4729.47 4755.56 4800.48 4825.62 4869.85 4893.98 4904.28 4921.68 5496.17 5632.72 0.541807 0.571803 0.572747 0.476303 -2588.017477 -2587.987481 -2587.986537 -2588.082981 3.234748D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CC(C)(C)[C@@H]1CCc2c(sc(c2C(=O)N[C@H]3CCS(=O)(=O)C3)NC(=O)c4ccc(cc4)Cl)C1 C39836449 RHF 6-31G(d) (6D,10F) C1 508.125729 |X|Y|Z| 126.957070 99.796112 26.243399 69.278243 24 6 7 16 20 2 2 |36.858105| |12.385983|36.858105| |7.619794|12.372058|36.858105| |7.618480|12.376516|7.678350|36.858105| |7.394175|12.210806|7.530581|7.499871|36.858105| |5.487152|8.918858|7.276055|6.828064|17.483076|0.500000| |6.247039|7.315778|6.050268|4.840096|12.395096|0.248354|36.858105| |4.193470|4.833131|4.325344|3.753260|7.502539|0.198952|12.438974|36.858105| |3.770631|4.291622|3.620796|3.637550|6.565076|0.174663|7.578133|12.591058|36.858105| |4.210555|4.861525|3.783033|4.318875|7.590622|0.189552|6.868035|7.706415|14.216539|36.858105| |3.212029|3.519262|2.869270|3.413096|4.599390|0.121862|4.239329|4.739946|7.403250|10.948202|388.023441| |2.753859|2.985109|2.573935|2.787812|3.878040|0.105966|3.975656|5.011388|8.131765|7.691990|78.355540|36.858105| |2.949041|3.236083|2.841567|2.888235|4.381549|0.120758|4.874701|7.139897|13.037161|8.180098|52.495769|13.894569|36.858105| |2.514906|2.718488|2.498684|2.427115|3.483191|0.097811|4.003813|5.767816|7.198844|5.073410|33.932333|7.713297|12.881428|36.858105| |2.202510|2.339272|2.160145|2.131616|2.883835|0.080492|3.223865|4.243725|5.114674|4.066235|29.815011|6.710332|8.052963|15.656591|73.516695| |2.510240|2.738457|2.607689|2.398465|3.478812|0.099722|4.158482|6.217268|6.264685|4.393820|27.174906|5.198908|7.832136|14.048690|15.233059|53.358707| |2.145869|2.306763|2.250030|2.050067|2.792824|0.080154|3.261773|4.364961|4.250299|3.297612|21.368945|3.898010|5.042379|7.815848|12.514949|17.974078|36.858105| |2.039626|2.150562|2.076583|1.921139|2.570117|0.072330|2.994514|3.874349|3.886455|3.090300|20.640121|3.808789|4.735596|7.368374|13.842676|12.702218|17.645481|0.500000| |2.131020|2.279141|2.290944|1.998650|2.694301|0.077348|3.209283|4.112991|3.658136|2.911953|18.296468|3.113949|3.914775|5.123073|8.130336|10.539157|12.403874|0.246970|36.858105| |1.823317|1.936033|1.959266|1.732962|2.225451|0.063986|2.556407|3.099899|2.863354|2.387277|15.531270|2.600978|3.089957|3.907305|6.714719|6.930301|7.792438|0.192255|12.469988|36.858105| |1.718223|1.851862|1.862773|1.692449|2.135810|0.062477|2.366053|2.873722|2.777322|2.350887|15.715577|2.656810|3.079219|3.899066|6.896246|6.577153|7.096515|0.167854|7.268457|10.643537|388.023441| |1.539441|1.640691|1.640118|1.516568|1.866931|0.054085|2.042481|2.421072|2.392638|2.073886|14.234567|2.394291|2.678618|3.328944|6.205879|5.195076|5.216116|0.140787|5.047566|7.162779|94.376065|73.516695| |1.718613|1.877465|1.921000|1.723561|2.148285|0.063940|2.343959|2.802277|2.661366|2.282695|15.062597|2.470409|2.845950|3.411949|5.809821|5.718171|5.350696|0.123168|5.876768|7.270197|94.143408|13.602030|73.516695| |1.919034|2.086503|2.049767|1.902537|2.484913|0.072823|2.760744|3.531496|3.568868|2.917603|19.656638|3.525218|4.228521|5.934551|10.475795|10.358979|12.318293|0.246712|7.662902|7.141988|75.334596|12.662367|12.864522|36.858105| |2.309066|2.458973|2.171153|2.340126|3.030297|0.083493|3.105915|3.762210|5.193327|4.971865|49.581862|13.840995|7.818491|6.555677|12.668112|6.122825|3.675297|0.103686|2.891489|2.505786|18.610955|4.321426|4.251243|3.469190|53.358707| |2.121994|2.239627|1.975108|2.189126|2.670035|0.073411|2.655556|3.050422|3.987340|4.110542|43.141655|7.793609|5.136203|4.464900|8.624598|4.638578|2.933105|0.083032|2.402755|2.143069|16.012911|3.798124|3.706025|2.852005|19.000485|36.858105| |2.205343|2.330317|2.024766|2.328049|2.751032|0.075265|2.648112|2.942847|3.839389|4.244134|48.552053|6.757031|4.549130|3.773153|6.885116|4.094133|2.581990|0.072018|2.177020|1.943074|14.425361|3.407744|3.399407|2.508075|11.544267|15.891946|73.516695| |1.827864|1.909653|1.718240|1.867879|2.220492|0.061303|2.236064|2.543317|3.131946|3.133435|29.234019|5.079447|3.923546|3.772519|7.749281|4.081446|2.721502|0.078763|2.240350|2.055524|15.524516|3.785878|3.553555|2.711475|10.676392|12.715636|14.346768|36.858105| |1.679584|1.751916|1.582681|1.742280|1.996602|0.055300|1.977085|2.194677|2.636571|2.699539|24.782408|3.898354|3.130338|2.989204|5.916835|3.384122|2.293242|0.065692|1.939693|1.805963|13.694424|3.369506|3.182232|2.318957|7.087092|7.734432|12.153980|13.701749|36.858105| |1.502531|1.558050|1.424633|1.547332|1.752002|0.048588|1.747511|1.927299|2.250470|2.273082|19.855529|3.109841|2.629491|2.593582|5.178200|3.016207|2.100059|0.060659|1.797013|1.703843|12.958325|3.246888|3.002839|2.146060|5.377008|5.078841|8.136306|7.906416|13.790076|36.858105| |1.449601|1.496967|1.379486|1.469615|1.684440|0.046672|1.707755|1.898590|2.188386|2.160529|18.310920|2.966092|2.583956|2.641206|5.425492|3.086032|2.194133|0.064473|1.868401|1.790820|13.624729|3.467259|3.109925|2.247419|5.132033|4.470041|6.823672|6.888750|7.990822|13.764012|36.858105| |1.538978|1.588626|1.463706|1.539567|1.808296|0.049994|1.862299|2.105656|2.440401|2.357571|19.835127|3.383533|2.968342|3.124820|6.707311|3.576840|2.553799|0.076518|2.128260|2.029942|15.394096|3.920181|3.447051|2.592325|6.071984|5.001989|7.118149|7.908673|6.873375|7.904716|13.779483|36.858105| |1.730875|1.795872|1.636896|1.731625|2.081274|0.057411|2.147743|2.469084|2.957018|2.844558|24.749870|4.482310|3.753342|3.898609|8.591459|4.239339|2.924296|0.087343|2.375949|2.208043|16.666018|4.139434|3.725729|2.914018|8.957896|7.474273|9.375673|13.702143|7.942848|6.864389|7.982152|13.766097|36.858105| |1.281868|1.317563|1.226702|1.295795|1.461547|0.040542|1.483583|1.630312|1.833095|1.806265|14.825575|2.341698|2.109669|2.177696|4.398678|2.626954|1.907086|0.056044|1.660197|1.621055|12.318746|3.187852|2.823904|1.967053|3.835357|3.174492|5.078922|4.228734|4.780186|7.046824|10.951305|7.052038|4.778038|448.794386| |5.869368|7.324541|4.864188|6.438866|12.373491|0.249181|7.652493|6.335803|7.472088|12.643515|48.078950|4.824019|5.022302|3.692143|5.504757|4.675316|2.729948|0.071138|2.528963|2.113015|14.669746|3.254135|3.628432|2.452259|4.917763|3.211592|6.070443|2.569988|2.299873|1.976364|1.872836|2.005241|2.346042|12.841637|36.858105| |17.562170|8.704547|6.958819|5.500580|6.625540|0.139782|6.876736|4.453871|3.794867|4.006675|21.630997|2.714124|2.976620|2.586853|4.013815|3.569515|2.249257|0.059509|2.267129|1.924940|12.675594|2.829430|3.155358|1.979570|3.107994|2.074636|3.774769|1.800873|1.643446|1.477443|1.437925|1.537194|1.726620|10.232280|5.124441|0.500000| |17.555040|8.692586|5.494112|6.806570|6.728756|0.137859|5.712137|4.058393|3.878484|4.529829|25.098036|2.928761|3.060119|2.562137|4.018827|3.395551|2.122252|0.056613|2.071957|1.777073|11.965176|2.698697|2.963385|1.897151|3.332915|2.268427|4.237614|1.937540|1.779950|1.583037|1.519994|1.611746|1.820934|10.735617|6.450739|0.301604|0.500000| |17.543333|8.798601|6.942439|7.086872|5.422844|0.123592|4.678413|3.413210|3.114083|3.438518|19.675309|2.394551|2.529559|2.201660|3.479697|3.001499|1.922217|0.050919|1.922215|1.670245|11.229667|2.532463|2.821862|1.740174|2.793211|1.912447|3.543324|1.668618|1.549770|1.396806|1.346932|1.420416|1.582182|9.639069|4.554765|0.302692|0.302705|0.500000| |6.978538|8.776723|17.546404|7.072048|5.471155|0.146007|4.604174|3.488297|3.026646|3.187365|18.008897|2.270391|2.459443|2.191102|3.426411|3.093352|1.998548|0.051714|2.041365|1.776300|12.029557|2.675447|3.103240|1.837753|2.655598|1.799899|3.294155|1.581798|1.470398|1.331748|1.288720|1.359349|1.507929|9.263270|4.021095|0.173375|0.141405|0.209578|0.500000| |5.504689|8.732435|17.534861|6.968014|6.901206|0.220958|5.422665|4.248197|3.598782|3.721704|20.294317|2.581972|2.854500|2.525227|3.871446|3.617017|2.297748|0.058225|2.336708|2.005015|13.751887|3.009710|3.596012|2.126598|2.971581|1.984552|3.611587|1.727705|1.594612|1.435186|1.387624|1.469747|1.642675|9.905259|4.619198|0.140984|0.122257|0.141558|0.301938|0.500000| |6.883407|8.673267|17.571471|5.515355|6.758571|0.177342|6.648412|4.643679|3.656840|3.641409|19.552294|2.547052|2.875818|2.578856|3.944430|3.740590|2.381466|0.060924|2.475875|2.097075|13.905391|3.041540|3.577994|2.134876|2.931638|1.939330|3.489117|1.697881|1.554008|1.404626|1.370886|1.463921|1.635432|9.806244|4.417698|0.206670|0.140272|0.169780|0.303112|0.301515|0.500000| |6.994347|8.686886|5.523334|17.569350|6.626748|0.160272|4.468093|3.572904|3.646168|4.544476|26.521750|2.915928|2.933383|2.427026|3.822888|3.192220|2.000128|0.052575|1.923188|1.672903|11.658669|2.631539|2.939833|1.856840|3.332268|2.320951|4.464234|1.963254|1.837910|1.621949|1.529397|1.596152|1.801089|10.777158|7.006431|0.140699|0.204850|0.178607|0.144181|0.140418|0.122243|0.500000| |5.502562|8.722791|6.850897|17.529510|6.968897|0.207173|4.512683|3.720272|3.657623|4.312534|24.572655|2.835925|2.932521|2.468587|3.845866|3.330750|2.091336|0.053957|2.029267|1.764231|12.421154|2.773353|3.192281|1.968898|3.243869|2.229915|4.218609|1.900019|1.776999|1.575452|1.491657|1.558900|1.753937|10.545847|6.078328|0.122293|0.139998|0.142367|0.169959|0.204329|0.139631|0.301292|0.500000| |6.875095|8.784649|7.186661|17.548759|5.466951|0.142255|4.006107|3.174577|3.035482|3.476595|20.401984|2.407716|2.488202|2.143786|3.390574|2.905973|1.859289|0.048616|1.832872|1.608057|11.140590|2.510201|2.845838|1.734608|2.812547|1.951380|3.676884|1.691812|1.591212|1.426782|1.358474|1.416856|1.577828|9.702674|4.749472|0.141532|0.165240|0.210573|0.220064|0.177489|0.144441|0.302969|0.301925|0.500000| |6.712092|6.466062|5.121828|4.457838|8.821485|0.174700|17.538609|8.893880|6.720605|6.424000|29.862339|3.900752|4.631459|3.813517|5.600067|5.213586|3.061264|0.080414|2.995045|2.416318|15.742981|3.451015|3.837005|2.569441|4.197016|2.658524|4.723532|2.244027|1.981516|1.753213|1.716463|1.874857|2.161795|11.972508|7.118935|0.220251|0.183258|0.136039|0.115863|0.122969|0.155302|0.119993|0.110940|0.104987|0.500000| |5.990266|6.876707|6.875218|4.492375|8.740623|0.207178|17.583186|8.911785|5.547530|4.979795|24.387740|3.306634|4.003127|3.525345|5.150742|5.212346|3.133582|0.079416|3.229574|2.584058|16.719225|3.590779|4.194915|2.661153|3.661499|2.330044|4.109534|2.007222|1.791171|1.603201|1.576130|1.713862|1.949288|11.119781|5.522653|0.197334|0.140993|0.130495|0.142228|0.166835|0.245319|0.110798|0.116734|0.108251|0.303598|0.500000| |3.735719|4.019788|3.724085|3.178993|5.497235|0.143304|8.872647|17.559042|8.877261|5.837680|29.188071|4.610798|6.612172|6.102186|8.018255|9.550131|4.940148|0.123625|4.774633|3.453641|21.719791|4.558241|5.161398|3.728660|4.934352|2.924785|4.915962|2.494813|2.138550|1.897886|1.896199|2.126392|2.481706|13.134593|4.875533|0.114319|0.101091|0.086293|0.086273|0.100008|0.114426|0.084873|0.086376|0.077034|0.220722|0.212377|0.500000| |3.757102|4.530014|4.364772|3.618427|6.646011|0.206220|8.879081|17.462210|8.850004|6.150272|29.557322|4.447396|6.133557|5.427442|7.169341|8.720814|4.593772|0.107942|4.449292|3.322382|22.251536|4.572174|5.589390|3.826992|4.724660|2.847484|4.872876|2.411722|2.101346|1.858524|1.832774|2.022748|2.347808|12.719277|5.341446|0.109096|0.098333|0.087655|0.097180|0.125968|0.130261|0.093199|0.103369|0.085939|0.174882|0.221330|0.302730|0.500000| |2.740935|3.066212|2.956181|2.640380|3.991740|0.117420|4.863619|7.863110|7.007741|4.748044|27.410306|4.888308|7.374931|9.382089|10.943784|26.121761|9.086629|0.182212|7.262016|4.743448|31.898085|6.196481|7.461204|6.383621|5.509114|3.154005|5.100689|2.738842|2.317699|2.062703|2.082080|2.364792|2.772880|14.338922|3.774233|0.079630|0.074474|0.066396|0.070351|0.084631|0.087131|0.070619|0.075365|0.064818|0.118164|0.125408|0.234255|0.253914|0.500000| |2.216293|2.326322|2.334020|2.012481|2.731205|0.076703|3.351673|4.218653|3.643400|2.904289|18.031707|3.027175|3.803588|4.809361|7.633300|9.262159|8.759313|0.218021|17.595532|8.756806|37.576831|7.333735|7.935171|5.543347|3.795606|2.327528|3.769712|2.165313|1.875694|1.738692|1.808457|2.060018|2.297776|12.930582|2.547767|0.066500|0.059854|0.055385|0.057862|0.065043|0.070999|0.053857|0.056028|0.051404|0.088757|0.094675|0.143773|0.121450|0.178568|0.500000| |2.244064|2.445743|2.505467|2.131317|2.900691|0.085009|3.450382|4.433637|3.775109|3.004902|18.408032|3.051664|3.852861|4.742258|7.222841|9.732303|8.781356|0.174014|17.536999|8.860933|46.342970|7.923481|11.143400|6.720279|3.773509|2.319821|3.791774|2.136148|1.867366|1.721978|1.768810|1.987951|2.220785|12.625265|2.649597|0.066229|0.059820|0.056192|0.061491|0.071953|0.075662|0.056266|0.060583|0.054220|0.086760|0.098438|0.138447|0.141873|0.218893|0.301423|0.500000| |1.732286|1.814855|1.819673|1.631008|2.072074|0.058821|2.376314|2.842009|2.676190|2.255259|14.919442|2.509150|2.930041|3.715566|6.661006|6.227471|6.816680|0.198262|8.746586|17.599771|57.434075|12.608418|9.737984|6.095884|3.350824|2.118618|3.394528|2.061839|1.808869|1.720774|1.829547|2.089743|2.251615|13.376184|1.994288|0.050853|0.047252|0.044187|0.046123|0.051269|0.053955|0.044057|0.045841|0.042155|0.063546|0.066232|0.088631|0.082214|0.114314|0.213414|0.173123|0.500000| |1.764153|1.871739|1.923969|1.676039|2.117647|0.061050|2.419660|2.853459|2.589537|2.195098|14.187626|2.314284|2.713841|3.278656|5.575125|5.649336|5.580683|0.139269|8.637669|17.626824|57.301203|10.658684|12.521519|5.332662|3.017919|1.925759|3.143988|1.846783|1.643497|1.556595|1.627355|1.821242|1.963841|11.938708|1.983786|0.051853|0.047400|0.045212|0.048738|0.054813|0.057489|0.044671|0.047398|0.043519|0.063362|0.069166|0.087381|0.085687|0.112766|0.197754|0.215930|0.299024|0.500000| |1.988589|2.202975|2.171336|2.021018|2.645916|0.079271|2.881812|3.708493|3.770810|3.093380|20.671873|3.653798|4.382015|5.765395|9.512489|9.886173|8.701900|0.175669|6.338343|5.642362|57.675727|10.064121|13.080946|17.621552|4.785512|2.899105|4.591889|2.703199|2.332471|2.136686|2.197718|2.492340|2.819349|15.373715|2.599324|0.056488|0.054367|0.050046|0.053780|0.063466|0.062319|0.054513|0.058827|0.050942|0.073011|0.076948|0.104513|0.115766|0.188381|0.132360|0.178122|0.131160|0.128653|0.500000| |1.805323|1.946791|1.890954|1.796989|2.302225|0.066862|2.518910|3.157573|3.319912|2.780594|19.494274|3.559213|4.072107|5.699822|11.371413|8.506534|8.656533|0.225411|5.646193|5.607412|56.833938|12.572844|10.021304|17.650260|5.018641|3.051034|4.673153|2.985202|2.530555|2.360172|2.511291|2.945784|3.296760|17.551342|2.324855|0.051436|0.050055|0.045633|0.047434|0.054238|0.054247|0.049201|0.051568|0.045588|0.066127|0.066724|0.091892|0.092317|0.142484|0.125646|0.136775|0.148007|0.121313|0.299333|0.500000| |2.167617|2.299215|2.068976|2.163731|2.810996|0.077924|2.960250|3.655777|4.791187|4.300017|37.664941|9.564381|7.436186|7.693673|17.954017|6.849666|4.216219|0.122339|3.182919|2.769035|20.727000|4.843215|4.614782|3.985500|25.983960|9.240983|10.806928|7.388652|4.855375|3.896647|3.926845|4.925593|7.484099|23.602020|3.216324|0.060285|0.063129|0.053736|0.051717|0.057885|0.057659|0.062075|0.061175|0.053536|0.081412|0.072455|0.101054|0.095012|0.119527|0.084521|0.082900|0.076269|0.066948|0.109084|0.121548|0.500000| |1.718036|1.798359|1.614384|1.812687|2.039867|0.056547|1.984389|2.174489|2.622153|2.756731|25.888831|3.820621|3.034324|2.810271|5.381925|3.214169|2.154464|0.060904|1.843769|1.709045|12.927331|3.153715|3.043758|2.174394|6.575755|7.272385|13.753010|8.952138|17.760750|8.928041|5.668014|4.955697|5.659614|31.617635|2.378390|0.046281|0.050770|0.044135|0.041752|0.045240|0.043685|0.053517|0.051514|0.045938|0.055139|0.049793|0.058115|0.057873|0.062118|0.049579|0.049828|0.047204|0.043498|0.061525|0.064893|0.119500|0.500000| |1.418434|1.469311|1.347409|1.471006|1.634561|0.045391|1.617991|1.763505|2.036092|2.074890|17.912700|2.714537|2.326988|2.280935|4.467763|2.700531|1.887632|0.054156|1.638747|1.562232|11.875309|2.980803|2.778367|1.935380|4.501151|4.139795|7.034571|5.628529|8.906867|17.753670|8.920990|5.637503|4.950394|53.852664|1.836414|0.038618|0.041474|0.036851|0.035171|0.037738|0.036789|0.042871|0.041645|0.037877|0.045055|0.041432|0.048078|0.047432|0.051835|0.044090|0.043879|0.043736|0.039951|0.053803|0.058594|0.089704|0.214199|0.500000| |1.474066|1.515600|1.407403|1.459401|1.717747|0.047470|1.788180|2.023248|2.300515|2.191944|17.889499|3.052828|2.777714|3.009089|6.528414|3.513970|2.574265|0.078456|2.155364|2.085700|15.761215|4.084592|3.485320|2.614570|5.259531|4.067368|5.935790|5.631133|4.955243|5.636703|8.924908|17.755548|8.907113|53.886789|1.878124|0.041158|0.042685|0.037866|0.036362|0.039210|0.039326|0.041800|0.040953|0.037458|0.050070|0.046076|0.057432|0.054142|0.064095|0.058083|0.055341|0.060441|0.051861|0.068584|0.083299|0.121443|0.107622|0.124185|0.500000| |1.812443|1.877551|1.714491|1.784135|2.198202|0.060447|2.315205|2.713835|3.251860|3.029303|25.599384|4.932106|4.278650|4.677239|11.122201|4.928799|3.401908|0.104346|2.692846|2.475943|18.483164|4.565256|4.052011|3.308494|9.844538|6.793554|8.536132|8.838184|5.630057|4.949413|5.688438|9.015184|17.733324|31.764786|2.457336|0.050655|0.052816|0.045744|0.043640|0.047675|0.047955|0.051267|0.050029|0.045037|0.064876|0.058283|0.077031|0.071205|0.087094|0.072540|0.068804|0.070647|0.060335|0.086983|0.104963|0.264191|0.123970|0.107514|0.217464|0.500000| |5.085297|6.566513|4.545855|7.108885|8.783836|0.221304|5.555050|4.909367|5.785213|8.973182|46.047075|4.414055|4.347326|3.292895|5.030752|4.164077|2.488922|0.064821|2.302040|1.960055|13.854738|3.095257|3.458967|2.300198|4.668758|3.156554|6.138590|2.529263|2.307108|1.977467|1.850825|1.954802|2.272100|12.711871|17.573946|0.119495|0.153133|0.117255|0.107771|0.124973|0.110163|0.230048|0.202082|0.141604|0.142086|0.123177|0.108972|0.124550|0.092652|0.063599|0.067166|0.051370|0.051340|0.068400|0.061042|0.084045|0.067339|0.051448|0.050547|0.065016|0.500000| |6.570955|6.821391|4.464599|6.058412|8.757370|0.174588|6.625327|5.277733|6.000831|8.943433|43.311120|4.365096|4.402651|3.340785|5.119008|4.199261|2.506484|0.066586|2.337914|1.973546|13.561562|3.043477|3.326029|2.238997|4.614701|3.083087|5.881027|2.493279|2.244716|1.937221|1.836216|1.960510|2.281220|12.636657|17.525001|0.155923|0.232245|0.139004|0.106960|0.112497|0.114278|0.199229|0.146027|0.129908|0.200230|0.138722|0.122261|0.121489|0.091786|0.066365|0.067076|0.052341|0.051587|0.064827|0.059501|0.083936|0.064527|0.050136|0.051080|0.066216|0.304165|0.500000| 2586.231349 -13822.862587 5046.953493 -259.378496 -6449.056241 3860.496892 -2588.559348 2.000900 40A890000000000B 450436D0348AA86C 44834F1AF13BDA32 42332C996B600001 37BA22391F5F0C06 43F3C996D22CF694