Version2.4 2021-06-07T12:59:25Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)c1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nnc(s3)SCC)[O-])C(=O)c4ccc(cc4)OC C39999966 RHF 6-31G(d) (6D,7F) CCN(CC)c1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nnc(s3)SCC)[O-])C(=O)c4ccc(cc4)OC C01[X(C26H27N4O4S2)] 183 C1 602 CCSc1nnc(s1)N1C(=O)C(=C([C@H]1c1ccc(cc1)N(CC)CC)C(=O)c1ccc(cc1)OC)[O-] CCSc1nnc(s1)N1C(=O)C(=C([C@H]1c1ccc(cc1)N(CC)CC)C(=O)c1ccc(cc1)OC)[O-] CCSc1sc(nn1)N2[C@H](c3ccc(cc3)N(CC)CC)C(=C([O-])C2=O)C(=O)c4ccc(OC)cc4 InChIKey=KUHOQWHEDACJRN-OAQYLSRUSA-M InChI=1S/C26H28N4O4S2/c1-5-29(6-2)18-12-8-16(9-13-18)21-20(22(31)17-10-14-19(34-4)15-11-17)23(32)24(33)30(21)25-27-28-26(36-25)35-7-3/h8-15,21,32H,5-7H2,1-4H3/p-1/t21-/m1/s1 InChI=1/C26H28N4O4S2/c1-5-29(6-2)18-12-8-16(9-13-18)21-20(22(31)17-10-14-19(34-4)15-11-17)23(32)24(33)30(21)25-27-28-26(36-25)35-7-3/h8-15,21,32H,5-7H2,1-4H3/p-1/t21-/m1/s1/fC26H27N4O4S2/h32h/q-1 CCN(CC)c1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nnc(s3)SCC)[O-])C(=O)c4ccc(cc4)OC C01[X(C26H27N4O4S2)] 183 C01 602 CCSc1nnc(s1)N1C(=O)C(=C([C@H]1c1ccc(cc1)N(CC)CC)C(=O)c1ccc(cc1)OC)[O-] CCSC1=N[N][C](S1)N1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)OC)[C@H]1[C]1[CH][CH][C]([CH][CH]1)N(CC)CC)=O CCSC1=N[N][C](S1)N2[C@H]([C]3[CH][CH][C]([CH][CH]3)N(CC)CC)[C](C(=O)[C]4[CH][CH][C]([CH][CH]4)OC)C(=O)C2=O InChIKey=XMNPZXJNHKDUQO-OAQYLSRUSA-N InChI=1S/C26H27N4O4S2/c1-5-29(6-2)18-12-8-16(9-13-18)21-20(22(31)17-10-14-19(34-4)15-11-17)23(32)24(33)30(21)25-27-28-26(36-25)35-7-3/h8-15,21H,5-7H2,1-4H3/t21-/m1/s1 InChI=1/C26H27N4O4S2/c1-5-29(6-2)18-12-8-16(9-13-18)21-20(22(31)17-10-14-19(34-4)15-11-17)23(32)24(33)30(21)25-27-28-26(36-25)35-7-3/h8-15,21H,5-7H2,1-4H3/t21-/m1/s1 4183.3273154312 -2312.5491606 1-A 22785.9898 138 464 602 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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| 13.1533 14.3316 18.6264 24.4544 27.3660 36.2035 43.3045 51.3367 57.7188 59.3315 68.6944 75.2538 83.9216 91.3564 97.8072 104.6507 127.3617 129.4370 137.1820 146.3644 160.4470 175.9937 195.6217 227.9432 231.2120 238.5143 254.1688 258.6991 267.8505 271.9847 288.3551 295.5817 306.4940 335.2365 348.5496 354.3094 360.8330 376.6884 389.1835 409.9912 427.4334 436.9339 457.5400 467.5874 479.3788 489.8114 508.8257 533.3172 557.9499 562.6096 569.6948 591.1279 605.2067 608.4078 645.6366 668.0027 693.6689 698.6741 702.0450 710.8091 749.9769 757.2718 769.5980 791.8598 798.3839 815.5326 839.0235 854.0400 855.2773 859.2291 862.1149 879.4204 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0.09759 0.06178 0.05291 18.92 20.62 26.80 35.18 39.37 52.09 62.31 73.86 83.04 85.36 98.84 108.27 120.74 131.44 140.72 150.57 183.25 186.23 197.37 210.59 230.85 253.22 281.46 327.96 332.66 343.17 365.69 372.21 385.38 391.33 414.88 425.28 440.98 482.33 501.49 509.77 519.16 541.97 559.95 589.89 614.98 628.65 658.30 672.75 689.72 704.73 732.09 767.32 802.77 809.47 819.66 850.50 870.76 875.36 928.93 961.11 998.03 1005.24 1010.09 1022.70 1079.05 1089.55 1107.28 1139.31 1148.70 1173.37 1207.17 1228.77 1230.55 1236.24 1240.39 1265.29 1280.51 1301.61 1311.47 1324.68 1328.20 1339.39 1367.89 1377.35 1404.44 1434.60 1530.81 1542.83 1557.30 1574.41 1583.55 1585.16 1590.30 1596.08 1619.69 1672.35 1676.94 1697.17 1706.20 1709.73 1723.51 1724.94 1725.25 1749.06 1764.12 1782.91 1825.17 1832.14 1843.01 1863.36 1864.15 1866.06 1890.56 1917.53 1919.67 1938.84 1963.05 1970.22 1989.62 2023.61 2047.78 2069.72 2081.28 2086.07 2093.14 2101.13 2163.87 2186.38 2200.90 2214.94 2236.40 2239.88 2250.18 2252.36 2254.10 2260.37 2300.92 2345.73 2346.33 2351.67 2353.83 2359.85 2360.67 2367.75 2370.89 2374.29 2389.25 2394.44 2410.11 2434.37 2437.28 2441.21 2489.50 2538.68 2550.34 2610.49 2616.10 2617.98 2790.51 2858.52 4596.10 4598.01 4602.46 4609.85 4614.80 4632.85 4671.08 4673.34 4686.15 4698.36 4702.96 4703.31 4706.06 4709.66 4719.88 4730.00 4734.10 4755.41 4793.23 4853.21 4853.78 4854.98 4856.01 4886.15 4890.57 4892.04 4893.73 0.531899 0.565263 0.566207 0.460712 -2312.017262 -2311.983898 -2311.982954 -2312.088449 3.538320D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCN(CC)c1ccc(cc1)[C@@H]2C(=C(C(=O)N2c3nnc(s3)SCC)[O-])C(=O)c4ccc(cc4)OC C39999966 RHF 6-31G(d) (6D,10F) C1 523.147374 |X|Y|Z| 110.381334 81.567817 62.836881 82.707145 23 6 7 16 19 3 1 |36.858105| |12.444824|36.858105| |7.618943|13.173263|53.358707| |5.747539|7.746503|17.934166|36.858105| |4.231634|5.726739|10.378616|12.444724|36.858105| |5.690029|7.674880|18.596298|7.680609|5.684543|36.858105| |4.108763|5.063199|10.637868|6.576267|5.477170|13.640100|36.858105| |3.356487|3.887307|6.999400|4.451756|3.975236|7.863343|13.749437|36.858105| |3.299119|3.700507|6.118393|3.700914|3.292195|6.699283|7.859760|13.770486|36.858105| |3.986548|4.455006|7.001098|3.888743|3.348719|7.858131|6.935755|8.071521|13.719236|36.858105| |5.484277|6.575435|10.627999|5.062819|4.098675|13.593653|7.995249|6.942218|7.863134|13.793170|36.858105| |2.644222|2.868238|4.497627|2.869167|2.639015|4.358507|4.977453|7.497662|12.473896|7.477141|4.976951|36.858105| |2.433913|2.640451|4.198128|2.780050|2.593562|3.962845|4.800375|7.367889|8.982038|5.606916|4.195293|17.623555|0.500000| |2.523825|2.622412|3.957079|2.529645|2.290711|3.664426|3.888761|5.090055|7.408917|6.232773|4.341090|12.518253|0.240677|36.858105| |2.320891|2.409181|3.515884|2.245405|2.069642|3.150407|3.222703|3.970252|5.444555|5.169311|3.782270|7.865370|0.165651|13.555925|36.858105| |2.256367|2.418706|3.541331|2.263303|2.141235|3.178533|3.295495|4.094618|5.525239|5.070251|3.753302|7.989648|0.170354|8.123007|12.387185|36.858105| |2.069858|2.221075|3.189549|2.056194|1.976044|2.778600|2.837814|3.373126|4.245748|4.079209|3.228592|5.405071|0.126722|5.428221|7.715759|15.933654|73.516695| |2.409457|2.649003|4.018409|2.568904|2.443842|3.736445|4.079287|5.474999|7.682021|6.008700|4.293631|12.875947|0.255680|8.181479|8.101827|13.838414|14.914074|53.358707| |2.269984|2.553941|3.891393|2.538212|2.501996|3.533983|3.948908|5.110659|6.071923|4.862876|3.834518|7.631012|0.197175|5.231581|5.194205|7.887787|12.072084|19.029575|36.858105| |2.270645|2.591678|4.064121|2.720022|2.736949|3.683510|4.383022|5.764656|5.917661|4.499479|3.742530|6.626787|0.197768|4.450654|4.104238|5.314719|8.309485|11.153346|14.908317|53.358707| |2.070628|2.376990|3.661933|2.507334|2.615316|3.164845|3.658500|4.345856|4.262886|3.549846|3.143470|4.496284|0.131879|3.392922|3.260069|4.129614|7.017288|7.386345|8.624553|18.927620|53.358707| |1.953981|2.225837|3.329221|2.256820|2.347264|2.826854|3.113950|3.588874|3.706293|3.260765|2.892891|3.976546|0.111285|3.172034|3.208705|4.214760|7.677080|6.976829|8.047063|11.778841|20.460878|36.858105| |2.012565|2.255397|3.310428|2.181924|2.197399|2.855052|3.037210|3.570175|4.036076|3.653154|3.091319|4.611210|0.120388|3.790782|4.120441|6.137796|12.316852|9.457926|10.864414|10.153341|10.181132|10.935359|388.023441| |1.724386|1.953021|2.862004|1.978783|2.098706|2.336455|2.515763|2.756799|2.785519|2.553814|2.358918|2.907070|0.081489|2.459663|2.513151|3.121324|5.861747|4.768100|4.634694|6.648384|9.642007|10.805065|44.405062|388.023441| |1.689485|1.923136|2.862735|2.036359|2.212183|2.303855|2.539881|2.731485|2.625864|2.372643|2.242752|2.669652|0.077058|2.242379|2.214060|2.630736|4.736797|4.108161|3.845227|6.076053|8.942577|6.924593|30.523596|74.436045|36.858105| |1.522986|1.718187|2.517822|1.809415|1.975369|1.982169|2.144620|2.256313|2.176707|2.010527|1.929485|2.201463|0.063085|1.905374|1.895580|2.203476|4.008949|3.330891|2.966261|4.478765|5.866383|4.613173|23.723955|49.514324|12.487847|36.858105| |2.154277|2.194872|3.131295|2.015489|1.860280|2.719452|2.722989|3.204894|4.125328|4.140005|3.238340|5.261041|0.121361|7.877217|15.749230|8.018675|11.762855|7.464079|4.031110|4.487044|3.745954|2.765146|24.959900|16.028244|1.984012|1.730492|73.516695| |2.551763|2.561892|3.859235|2.503390|2.217256|3.489896|3.664416|4.541586|5.871729|5.286077|4.028846|7.292442|0.175970|13.243893|7.580624|5.085375|6.950034|6.961575|3.818758|4.750821|3.800525|2.596602|21.010103|14.900608|1.959953|1.695205|10.959673|36.858105| |2.469102|2.412699|3.530360|2.295141|2.027621|3.083686|3.114398|3.631271|4.491217|4.436715|3.585421|5.127790|0.125965|8.089189|6.469186|4.329833|6.259947|5.558783|3.179879|3.944117|3.270112|2.279503|18.500386|13.418074|1.760189|1.544649|11.076443|15.725864|73.516695| |2.544815|2.555259|3.969074|2.658610|2.334062|3.565562|3.943916|4.895840|5.556166|4.669890|3.822403|6.224469|0.176049|7.484725|4.941304|3.933142|5.624034|5.831852|3.462332|4.603229|3.714595|2.467800|18.967855|14.300154|1.938468|1.678465|7.428349|12.541675|14.587820|36.858105| |2.744426|2.668814|4.138930|2.807094|2.395457|3.608682|3.872527|4.400578|4.663851|4.257209|3.772184|4.581085|0.126818|5.148774|3.832896|3.167867|4.707380|4.635116|2.875425|3.885963|3.240979|2.163983|16.341736|12.840175|1.762003|1.545223|6.073587|7.583083|11.851199|13.646920|36.858105| |2.577270|2.509407|3.932010|2.789214|2.390501|3.306776|3.640124|3.969232|3.871151|3.497328|3.262039|3.736429|0.108342|3.900064|3.064800|2.663920|4.058755|3.945836|2.556104|3.556561|3.033206|2.009401|14.762019|12.108515|1.694619|1.496234|4.922660|5.024876|8.093521|7.884233|13.845766|36.858105| |2.283770|2.283426|3.606901|2.617700|2.316668|3.024947|3.474602|3.885924|3.653070|3.156255|2.919253|3.660085|0.112465|3.658027|2.900216|2.594522|3.974954|3.909781|2.591297|3.689877|3.160429|2.067294|14.904045|12.464819|1.768129|1.557229|4.620952|4.413563|6.871671|6.804860|7.941441|13.673747|36.858105| |2.159031|2.204062|3.480427|2.488430|2.254147|2.986463|3.508698|4.189306|4.013477|3.297581|2.929450|4.327217|0.141815|4.252109|3.289747|2.956101|4.466727|4.529780|2.982564|4.266647|3.580347|2.318649|16.752321|13.744362|1.940951|1.689588|5.127401|4.970094|7.294854|7.860169|6.888178|7.940703|13.781605|36.858105| |2.263453|2.319103|3.637611|2.510488|2.265445|3.220810|3.736584|4.739750|4.959813|3.938504|3.301848|5.876175|0.194878|6.102063|4.323337|3.711380|5.395954|5.701400|3.540763|4.888711|3.945127|2.570882|19.223354|14.864700|2.046444|1.762664|6.493752|7.471610|9.749337|13.795007|8.012352|6.913425|7.948214|13.672193|36.858105| |2.121220|2.114534|3.318737|2.485455|2.225582|2.687071|3.059024|3.266438|2.999999|2.656640|2.537208|2.955089|0.090066|2.908641|2.406264|2.204512|3.451031|3.299668|2.248574|3.235948|2.850091|1.870638|13.264111|11.506336|1.655798|1.475090|3.899080|3.359888|5.429886|4.585333|5.288597|8.171195|14.029154|7.855031|5.187775|73.516695| |1.893016|1.915519|2.994357|2.267120|2.091714|2.406823|2.768042|2.971995|2.706290|2.373281|2.261711|2.719154|0.084540|2.625450|2.216045|2.075336|3.285226|3.117066|2.171516|3.168410|2.835644|1.854231|12.937270|11.510672|1.678462|1.500600|3.596844|2.913961|4.694742|3.781111|3.993413|5.262811|8.024883|6.747573|4.519951|24.302544|36.858105| |17.582522|8.767449|9.304977|5.026717|3.734457|5.965834|4.273809|3.595993|3.654553|4.583801|6.348153|2.906524|0.073244|2.830669|2.579443|2.453168|3.951410|3.539943|2.392896|3.216804|2.883183|1.998547|14.884128|12.385935|1.690598|1.515207|4.255025|2.906227|5.040107|2.866698|3.129428|2.865234|2.479100|2.335814|2.483357|4.024144|1.992345|0.500000| |17.518417|8.789162|7.565916|4.507846|3.626821|4.450826|3.389912|2.875908|2.880299|3.461794|4.503330|2.379726|0.060819|2.301029|2.162298|2.109785|3.490420|3.015409|2.096696|2.828698|2.610334|1.834233|13.506081|11.660168|1.597104|1.452650|3.620598|2.314845|4.038174|2.274750|2.429243|2.279746|2.036065|1.937644|2.034307|3.381324|1.712661|0.300653|0.500000| |17.542310|8.782253|9.327968|6.091052|4.318883|5.038027|3.890524|3.161373|3.022542|3.488752|4.558299|2.458569|0.064017|2.349251|2.141457|2.072065|3.378540|3.022346|2.103163|2.898560|2.655957|1.829469|13.239968|11.556241|1.612181|1.460196|3.541616|2.413292|4.154922|2.467218|2.712537|2.616422|2.317782|2.154050|2.214919|3.889259|1.945699|0.302092|0.301059|0.500000| |8.881223|17.539732|12.598457|7.560236|6.321654|5.769140|4.300507|3.363791|3.151087|3.624974|4.894023|2.522940|0.065564|2.304489|2.139961|2.170968|3.593119|3.226138|2.330738|3.251169|3.050507|2.107312|14.933317|13.415649|1.879351|1.697922|3.492590|2.247246|3.776151|2.256372|2.348514|2.248304|2.078725|2.008101|2.085945|3.477516|1.794305|0.173240|0.213510|0.212182|0.500000| |8.829681|17.596904|12.485512|5.760351|4.833903|7.236988|4.809942|3.881740|3.864164|4.864458|7.269753|2.999446|0.075254|2.738462|2.564824|2.612572|4.295344|3.866020|2.738887|3.713344|3.407036|2.377287|17.403394|14.771437|2.008215|1.787954|4.152612|2.613349|4.378036|2.535130|2.587810|2.387380|2.182607|2.143485|2.294414|3.558543|1.824443|0.208855|0.213248|0.172929|0.306078|0.500000| |4.861726|5.769275|12.483885|17.594984|8.828533|7.253469|7.277030|4.866813|3.870179|3.888931|4.817427|3.005171|0.082420|2.640390|2.295964|2.287911|3.656294|3.564749|2.568322|3.789786|3.447197|2.248048|15.409933|13.899747|2.026072|1.792073|3.643860|2.655825|4.286008|2.912600|3.122995|3.182438|2.999606|2.803551|2.773221|5.091950|2.586771|0.126739|0.107385|0.146609|0.149480|0.128223|0.500000| |6.360065|7.577883|12.593552|17.541414|8.883223|5.774373|4.896128|3.625035|3.153634|3.368441|4.304447|2.525483|0.067865|2.289886|2.055795|2.050221|3.338922|3.102423|2.236917|3.215955|2.990237|2.007426|13.925047|12.707655|1.832200|1.650827|3.329435|2.299559|3.818826|2.432747|2.611721|2.615752|2.430340|2.278275|2.283410|4.159826|2.128575|0.144816|0.138981|0.209881|0.225060|0.149601|0.306019|0.500000| |4.309071|6.056926|9.336187|8.783840|17.542202|5.030480|4.552580|3.478628|3.014569|3.151877|3.878019|2.451835|0.066135|2.153205|1.981003|2.062570|3.425703|3.159804|2.385755|3.495108|3.388211|2.280212|15.267818|14.725865|2.162166|1.952187|3.192252|2.070401|3.400984|2.137613|2.182496|2.153004|2.075745|2.030983|2.061945|3.538127|1.875569|0.102405|0.106256|0.119126|0.207982|0.145445|0.172932|0.212297|0.500000| |3.733033|5.009222|9.317723|8.769025|17.580721|5.958430|6.334416|4.563290|3.641991|3.582522|4.259420|2.896886|0.079752|2.444118|2.200012|2.315153|3.787651|3.672765|2.820798|4.307816|4.139518|2.674605|17.407710|16.802833|2.523208|2.214305|3.474933|2.323071|3.722660|2.444621|2.455594|2.436067|2.397687|2.379416|2.405308|4.057369|2.166146|0.095222|0.089804|0.102578|0.144113|0.125946|0.208829|0.173275|0.302085|0.500000| |3.630466|4.497455|7.568275|8.786847|17.515923|4.449188|4.499353|3.454209|2.876230|2.871552|3.384716|2.376688|0.065850|2.086637|1.887718|1.942224|3.200308|2.995190|2.256869|3.373789|3.259373|2.150849|14.213687|13.883213|2.088865|1.889012|3.037612|2.041608|3.336414|2.174694|2.247702|2.288360|2.243759|2.165485|2.136717|3.911048|2.088833|0.089930|0.088335|0.106610|0.138334|0.106942|0.213194|0.213466|0.301019|0.300553|0.500000| |3.769766|4.619901|9.633053|7.385435|6.536547|8.848620|17.762988|9.011450|5.646298|4.989295|5.652183|4.092615|0.115062|3.287701|2.775634|2.848887|4.452296|4.720836|3.473677|5.411075|4.727065|2.928593|19.608841|17.271199|2.533268|2.155809|4.246158|3.156595|4.848366|3.486612|3.486344|3.448063|3.395383|3.381162|3.432795|5.511162|2.855759|0.105008|0.087306|0.103185|0.115435|0.117605|0.250593|0.146616|0.139195|0.220963|0.152342|0.500000| |2.867722|3.261628|5.691428|3.898644|3.641748|5.631259|8.984460|17.724168|8.954958|5.701556|4.988721|6.970454|0.226771|4.725177|3.705079|3.864008|5.722324|7.096126|5.123556|8.568744|6.400895|3.715448|25.203962|20.214039|2.892749|2.364654|5.354412|4.252343|6.021115|4.814440|4.217919|3.973420|4.152895|4.690093|5.138033|6.234224|3.284769|0.084075|0.069442|0.076617|0.081057|0.089676|0.120875|0.089852|0.088051|0.117458|0.091087|0.220192|0.500000| |3.653220|3.901686|5.692655|3.263433|2.860895|5.627331|4.985288|5.701688|8.930002|17.719704|8.998518|6.941964|0.140627|6.826699|6.198163|5.775079|8.192774|8.296056|4.669973|5.534226|4.450384|3.115761|26.103160|17.542594|2.239786|1.916630|8.889413|5.596893|8.731938|4.479127|4.028997|3.243204|2.907438|3.050247|3.699659|4.359856|2.197502|0.118056|0.091324|0.088335|0.089859|0.120814|0.089868|0.081197|0.076363|0.083749|0.069335|0.108148|0.124787|0.500000| |6.544778|7.393949|9.632107|4.623412|3.762300|8.834704|5.654504|4.992844|5.646378|9.030147|17.764375|4.090426|0.096751|3.810143|3.483863|3.417178|5.379012|5.039076|3.324987|4.333890|3.754952|2.607436|20.056686|15.517496|2.058504|1.799140|5.506713|3.609204|5.981826|3.350131|3.373420|2.931531|2.600852|2.580223|2.881530|4.077618|2.048230|0.221242|0.152511|0.139318|0.146740|0.250963|0.117872|0.115657|0.102866|0.104711|0.087209|0.123548|0.108210|0.220585|0.500000| |1.652944|1.866129|2.804645|2.007320|2.159137|2.274382|2.551996|2.794125|2.666203|2.359571|2.206835|2.763554|0.081710|2.311044|2.258454|2.664812|4.737036|4.201933|3.926977|6.404623|9.389026|6.597167|29.663940|56.635860|17.635889|8.792910|3.582027|2.024252|3.211487|2.022445|1.825180|1.764219|1.863877|2.069667|2.171798|3.104339|1.787474|0.046187|0.043202|0.044046|0.050395|0.053682|0.056211|0.050130|0.057854|0.068344|0.057016|0.071051|0.084227|0.061704|0.055865|0.500000| |1.828611|2.113434|3.176214|2.268368|2.510247|2.550811|2.832188|2.997001|2.816952|2.545948|2.441016|2.776473|0.079817|2.297523|2.238315|2.642658|4.680986|4.202171|3.926129|6.412342|9.428492|6.605552|29.591880|56.643834|17.637647|8.792784|3.541453|2.013554|3.202935|2.004271|1.834081|1.767534|1.837826|2.002876|2.104331|3.061519|1.737280|0.050514|0.047793|0.048434|0.057593|0.061246|0.062369|0.056142|0.068105|0.080994|0.065461|0.079193|0.087850|0.065743|0.061813|0.303178|0.500000| |1.533593|1.736411|2.516717|1.801622|1.977426|1.963512|2.091167|2.170764|2.106772|1.979169|1.917757|2.105092|0.059464|1.834642|1.837174|2.133778|3.910479|3.192402|2.813125|4.155946|5.304436|4.274065|22.881825|46.063301|8.773064|17.560369|2.997557|1.634567|2.663512|1.608313|1.489555|1.438029|1.483543|1.596632|1.669851|2.498442|1.419890|0.042189|0.040857|0.040703|0.047934|0.050486|0.049068|0.045825|0.054968|0.061279|0.052340|0.058186|0.062201|0.052607|0.050093|0.172363|0.209881|0.500000| |1.424766|1.590316|2.318113|1.661316|1.790389|1.827868|1.969607|2.089233|2.040945|1.887081|1.796958|2.099367|0.060238|1.841530|1.848328|2.145462|3.943224|3.192257|2.813397|4.153710|5.297139|4.271721|22.915395|46.060127|8.772095|17.559893|3.022207|1.640292|2.668429|1.617696|1.484713|1.436200|1.497208|1.630060|1.703174|2.521657|1.447062|0.039551|0.037858|0.037976|0.043512|0.045963|0.045873|0.042354|0.049103|0.055181|0.047682|0.054693|0.060864|0.050453|0.046745|0.209852|0.172354|0.301028|0.500000| |1.488441|1.677222|2.468547|1.799532|1.981949|1.926352|2.096634|2.183566|2.073756|1.911328|1.851068|2.079323|0.060057|1.803824|1.775040|2.029672|3.647081|3.077017|2.691625|4.120941|5.237005|3.889827|20.639909|36.568696|8.868520|17.550885|2.884297|1.623749|2.632662|1.626326|1.507746|1.473491|1.541295|1.664697|1.715853|2.617664|1.507423|0.040977|0.039372|0.039906|0.046296|0.048042|0.049696|0.045684|0.054194|0.061708|0.053233|0.059378|0.064040|0.050301|0.047901|0.211786|0.211774|0.301417|0.301405|0.500000| |2.971411|2.802476|4.240415|2.818594|2.369576|3.647034|3.698522|4.033375|4.406886|4.355836|3.943704|4.188382|0.110420|4.863154|3.780994|3.080394|4.621406|4.386615|2.711385|3.603434|3.037871|2.057439|15.716100|12.304225|1.675087|1.477872|6.153835|7.122433|12.781024|8.943652|17.739579|8.952925|5.647075|4.961948|5.690955|7.596832|3.334290|0.096615|0.073169|0.081117|0.067787|0.075570|0.085628|0.073930|0.060615|0.066558|0.061404|0.091371|0.103334|0.117908|0.100980|0.047759|0.048481|0.039848|0.039441|0.039965|0.500000| |2.626669|2.500300|3.872108|2.792061|2.365693|3.144787|3.362709|3.485343|3.362087|3.159213|3.063351|3.165116|0.090175|3.287252|2.683601|2.361741|3.658476|3.459663|2.275111|3.166272|2.750511|1.835719|13.419072|11.220658|1.576763|1.404896|4.391416|4.093686|6.931201|5.609422|8.893942|17.723345|8.951747|5.663524|4.973573|13.465843|4.875472|0.080902|0.064563|0.075522|0.062571|0.065183|0.088760|0.074274|0.059270|0.065799|0.063500|0.090032|0.095490|0.081756|0.078075|0.045352|0.045780|0.037673|0.037431|0.038561|0.213915|0.500000| |1.967818|2.027707|3.187991|2.311709|2.142513|2.696187|3.184688|3.765029|3.544612|2.917256|2.617393|3.873620|0.129948|3.701864|2.982149|2.765329|4.250220|4.247486|2.887036|4.206077|3.596328|2.317371|16.431104|13.856034|1.981914|1.728153|4.684265|4.069931|6.114214|5.631551|4.962987|5.631512|8.872534|17.750186|8.931272|12.455349|7.469309|0.058352|0.049419|0.054626|0.051942|0.054906|0.071956|0.058837|0.053723|0.063234|0.057710|0.087238|0.120902|0.075220|0.064429|0.059403|0.056471|0.045017|0.046470|0.047536|0.107733|0.124146|0.500000| |2.108009|2.187287|3.400401|2.339244|2.156413|3.007791|3.487953|4.514817|4.855831|3.785421|3.115205|6.441500|0.232413|6.543190|4.736596|4.158582|5.992664|6.437508|3.978905|5.439996|4.325796|2.818469|21.263865|16.065739|2.190554|1.871232|6.973078|6.902761|9.014723|8.955618|5.675146|4.973917|5.664935|8.945881|17.725341|7.448764|3.921825|0.063694|0.053125|0.056849|0.055015|0.060881|0.070692|0.058958|0.054963|0.064245|0.056417|0.089084|0.139251|0.100409|0.075793|0.065196|0.061894|0.048915|0.050508|0.050306|0.124785|0.107891|0.217579|0.500000| |1.810275|1.821771|2.824659|2.168870|2.010747|2.224368|2.519313|2.633476|2.397348|2.144675|2.078220|2.377250|0.072648|2.301290|1.977754|1.863490|2.981573|2.776375|1.950719|2.841012|2.582094|1.700511|11.814665|10.699851|1.568173|1.415840|3.242487|2.534394|4.159949|3.172990|3.412477|4.409363|5.873641|4.910063|3.618810|17.012046|17.620007|0.052512|0.045693|0.052142|0.047813|0.047947|0.068591|0.057255|0.050200|0.057280|0.056453|0.073013|0.079648|0.055351|0.052825|0.046195|0.045125|0.037326|0.037927|0.039688|0.082068|0.121105|0.146003|0.089150|0.500000| |1.932397|1.988468|3.150681|2.403498|2.245939|2.550111|3.013088|3.261362|2.886295|2.480154|2.361135|2.886170|0.091580|2.695942|2.266765|2.161560|3.416596|3.307497|2.338268|3.482970|3.118663|2.009237|13.798627|12.412353|1.831777|1.626185|3.633639|2.909417|4.594003|3.742667|3.807154|4.775470|7.061858|6.767884|4.597876|16.452886|17.546454|0.056138|0.048390|0.054987|0.051854|0.052644|0.076672|0.061837|0.055479|0.065462|0.062400|0.087816|0.103417|0.063004|0.058735|0.054558|0.052882|0.042516|0.043377|0.045541|0.088352|0.120136|0.224419|0.113576|0.299893|0.500000| |1.757049|1.775931|2.742383|2.048356|1.904177|2.213064|2.518367|2.749648|2.569706|2.254172|2.118372|2.661263|0.083093|2.615496|2.226897|2.074856|3.294309|3.081509|2.139426|3.091833|2.770980|1.825526|12.825927|11.354735|1.645253|1.474058|3.640416|2.907411|4.714873|3.724117|3.795239|4.757895|7.030413|6.746631|4.575531|16.449297|17.544218|0.051505|0.044507|0.049770|0.046221|0.047442|0.063860|0.053526|0.047932|0.054932|0.052548|0.071102|0.084284|0.058778|0.053589|0.048867|0.046874|0.038650|0.039752|0.041021|0.088226|0.119834|0.225616|0.113310|0.299990|0.299362|0.500000| 2310.401241 -13837.310824 5285.770109 -254.737374 -6495.876847 4183.327616 -2312.549231 2.000930 409F7FFFFFFFFFFF 4574ADD74D8FC35A 44F34015B1653FA1 41BEB728FFFFFFFC 37F90B76BE106B80 43B72CD561B3573E