Version2.4 2021-06-06T20:44:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4cccs4)c5cccc(c5)OCC=C C33374865 RHF 6-31G(d) (6D,7F) CCOc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4cccs4)c5cccc(c5)OCC=C C01[X(C27H21N2O5S2)] 165 C1 590 C=CCOc1cccc(c1)[C@@H]1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=C1C(=O)c1cccs1)[O-] C=CCOc1cccc(c1)[C@@H]1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=C1C(=O)c1cccs1)[O-] CCOc1ccc2nc(sc2c1)N3[C@@H](c4cccc(OCC=C)c4)C(=C([O-])C3=O)C(=O)c5sccc5 InChIKey=JZPWVCASSWNIEL-QHCPKHFHSA-M InChI=1S/C27H22N2O5S2/c1-3-12-34-17-8-5-7-16(14-17)23-22(24(30)20-9-6-13-35-20)25(31)26(32)29(23)27-28-19-11-10-18(33-4-2)15-21(19)36-27/h3,5-11,13-15,23,31H,1,4,12H2,2H3/p-1/t23-/m0/s1 InChI=1/C27H22N2O5S2/c1-3-12-34-17-8-5-7-16(14-17)23-22(24(30)20-9-6-13-35-20)25(31)26(32)29(23)27-28-19-11-10-18(33-4-2)15-21(19)36-27/h3,5-11,13-15,23,31H,1,4,12H2,2H3/p-1/t23-/m0/s1/fC27H21N2O5S2/h31h/q-1 CCOc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4cccs4)c5cccc(c5)OCC=C C01[X(C27H21N2O5S2)] 165 C01 590 C=CCOc1cccc(c1)[C@@H]1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=C1C(=O)c1cccs1)[O-] C=CCO[C]1[CH][CH][CH][C]([CH]1)[C@@H]1N(C2=N[C]3[C]([CH][C]([CH][CH]3)OCC)S2)C(=O)[C]([C]1[C](=O)C1=[CH][CH]=CS1)=O CCO[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@@H]([C]4[CH][CH][CH][C]([CH]4)OCC=C)[C](C(=O)C3=O)C(=O)c5sccc5 InChIKey=YMAVUJXZDZNGPY-QHCPKHFHSA-N InChI=1S/C27H21N2O5S2/c1-3-12-34-17-8-5-7-16(14-17)23-22(24(30)20-9-6-13-35-20)25(31)26(32)29(23)27-28-19-11-10-18(33-4-2)15-21(19)36-27/h3,5-11,13-15,23H,1,4,12H2,2H3/t23-/m0/s1 InChI=1/C27H21N2O5S2/c1-3-12-34-17-8-5-7-16(14-17)23-22(24(30)20-9-6-13-35-20)25(31)26(32)29(23)27-28-19-11-10-18(33-4-2)15-21(19)36-27/h3,5-11,13-15,23H,1,4,12H2,2H3/t23-/m0/s1 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1525.5582 1537.0640 1543.4885 1556.4739 1579.6725 1588.9766 1603.9573 1624.7005 1628.5663 1629.4215 1643.9950 1646.1515 1660.0360 1671.7596 1685.2350 1739.2800 1752.7211 1767.0316 1788.6687 1812.5540 1816.8248 1818.1357 1884.9933 1945.2658 1998.9931 3185.0343 3192.8634 3211.4461 3228.8908 3230.3317 3274.6654 3288.9029 3291.1082 3324.5824 3351.6760 3354.3156 3379.4483 3382.3382 3388.3815 3389.3462 3394.7343 3401.6249 3403.6342 3403.8445 3416.3664 3430.1743 5.0697 5.6211 5.6672 5.3729 4.8860 4.8008 5.3777 5.3448 8.2819 6.2823 4.8114 5.7273 4.4828 3.3933 3.9939 2.8435 3.2009 4.3048 8.0057 5.9283 5.9114 5.7080 5.7521 6.1110 5.2281 6.9292 3.2117 1.4945 6.1170 6.0090 4.4893 5.6861 8.7055 8.4324 5.2169 6.7011 3.9780 8.0258 3.1819 6.9343 5.2627 4.5147 2.8826 8.6873 7.0121 6.4798 3.8254 6.3615 3.7361 7.6476 3.9903 6.8026 6.0976 3.5155 2.9455 8.3992 4.0814 4.1456 2.5828 1.4588 6.9018 4.6334 5.1086 5.9746 5.1659 3.7080 3.1490 2.9100 1.1633 7.6944 4.5713 1.3581 4.2649 1.4811 1.4696 1.5250 2.9552 1.9867 2.3366 1.9974 2.6518 1.3933 1.3394 1.3297 5.2160 1.3683 6.4326 1.4640 1.7080 1.2923 2.2381 4.1606 3.6498 2.0115 2.1639 1.5605 2.1134 2.9047 3.9482 2.3756 2.1922 1.8305 3.0399 1.5177 1.8613 2.5782 3.2625 2.2227 1.6617 1.1209 2.6862 3.1509 5.3028 1.0988 1.5030 2.6215 1.9749 1.5600 2.0586 1.8590 1.2772 1.2396 7.4168 2.1065 1.9757 1.3292 2.4320 6.5804 1.0418 2.5584 1.1356 1.9784 1.2068 1.1214 11.3789 5.5537 6.1978 5.4355 11.8900 5.8462 6.8518 4.3813 12.8326 13.0363 1.0595 1.0549 1.0388 1.1089 1.1043 1.1012 1.0859 1.1050 1.0605 1.0888 1.0955 1.0901 1.0898 1.0928 1.0920 1.0950 1.0922 1.1156 1.0942 1.0949 1.0992 0.0004 0.0008 0.0019 0.0031 0.0032 0.0041 0.0059 0.0062 0.0172 0.0171 0.0175 0.0278 0.0260 0.0231 0.0288 0.0230 0.0341 0.0582 0.1601 0.1318 0.1396 0.1479 0.1749 0.2125 0.2151 0.2933 0.1424 0.0690 0.3286 0.3399 0.3189 0.4178 0.7002 0.7088 0.4871 0.7004 0.4335 0.9944 0.4497 0.9979 0.7804 0.7282 0.4773 1.5930 1.3548 1.2895 0.8950 1.5194 0.8958 1.9256 1.0458 1.7912 1.7152 1.0486 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1279.85 1291.37 1304.54 1328.75 1331.16 1346.27 1401.56 1406.40 1424.23 1439.30 1447.58 1458.34 1471.87 1489.22 1494.66 1529.66 1539.22 1556.66 1573.46 1575.00 1581.77 1616.75 1655.91 1662.60 1705.53 1713.92 1732.96 1735.79 1738.99 1763.79 1791.50 1798.89 1816.85 1841.68 1848.23 1869.72 1872.48 1898.91 1907.96 1933.72 1960.69 1981.94 2007.02 2037.68 2043.34 2051.04 2058.07 2061.87 2069.64 2078.84 2145.45 2165.26 2194.94 2211.49 2220.74 2239.42 2272.80 2286.18 2307.74 2337.58 2343.14 2344.37 2365.34 2368.44 2388.42 2405.29 2424.68 2502.44 2521.77 2542.36 2573.50 2607.86 2614.01 2615.89 2712.08 2798.80 2876.11 4582.55 4593.82 4620.55 4645.65 4647.73 4711.51 4732.00 4735.17 4783.33 4822.31 4826.11 4862.27 4866.43 4875.13 4876.51 4884.27 4894.18 4897.07 4897.37 4915.39 4935.26 0.458969 0.489512 0.490456 0.391418 -2312.440479 -2312.409937 -2312.408992 -2312.508031 3.321784D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE 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|1.963899|2.259540|4.604799|3.140255|3.229625|4.009679|5.441218|5.027445|3.693845|49.328878|13.947984|11.197186|53.358707| |1.796259|2.061321|4.078750|2.736277|2.919847|3.648004|4.521927|3.907927|3.046407|32.774064|7.667438|9.133593|17.571011|36.858105| |1.840143|2.129537|4.179929|2.822051|3.086535|3.943171|4.772546|3.929243|3.077117|30.815321|7.134506|9.810057|12.527825|17.645199|0.500000| |1.595143|1.793813|3.523084|2.296529|2.394332|2.850671|3.400883|3.129684|2.552623|26.919391|5.228683|6.090601|11.119141|12.518005|0.240516|36.858105| |1.595648|1.777291|3.532623|2.284711|2.313697|2.690350|3.262799|3.175133|2.601918|29.282359|5.181627|5.598162|11.023209|7.873905|0.165552|13.526027|36.858105| |1.814042|2.040934|4.154579|2.743147|2.728799|3.205056|4.126690|4.164058|3.252510|43.588105|7.832800|7.223899|18.798681|7.998435|0.170255|8.110113|12.395491|36.858105| |1.863788|2.075697|4.284263|2.796608|2.688578|3.057997|3.927772|4.276934|3.411784|49.018570|6.713337|6.318999|11.388991|5.408371|0.126629|5.428677|7.739890|15.961901|73.516695| |1.481391|1.628482|3.221429|2.046096|2.047229|2.322770|2.752414|2.743546|2.319562|24.946819|4.020971|4.491549|7.463845|5.267868|0.121340|7.879489|15.773515|8.023465|11.802895|73.516695| |1.443082|1.609516|3.108654|1.993304|2.093466|2.450973|2.797296|2.566079|2.163776|20.997467|3.818692|4.771862|6.957553|7.266912|0.175366|13.296546|7.614529|5.093560|6.968815|11.031710|36.858105| |1.333625|1.471591|2.831757|1.791094|1.860301|2.133455|2.406267|2.257925|1.941383|18.498395|3.179283|3.957957|5.557246|5.112687|0.125741|8.098800|6.502781|4.339907|6.284768|11.188851|15.747220|73.516695| |1.426809|1.598376|3.045433|1.951157|2.092799|2.465106|2.725160|2.428722|2.069752|18.891786|3.450639|4.607266|5.802777|6.173677|0.173864|7.474400|4.937782|3.922336|5.615384|7.442389|12.537877|14.670364|36.858105| |1.333062|1.484674|2.798677|1.773395|1.906134|2.212828|2.387725|2.138283|1.857213|16.299430|2.874197|3.906945|4.621062|4.559553|0.126788|5.132721|3.819767|3.158315|4.697672|6.059854|7.499109|11.648079|14.131371|36.858105| |1.314028|1.464823|2.729902|1.722373|1.873345|2.166157|2.277184|2.018207|1.774256|14.941113|2.602544|3.650874|4.003477|3.800603|0.111860|3.949824|3.088208|2.691598|4.096707|4.943740|5.034151|7.967184|8.185249|13.287415|36.858105| |1.386112|1.554921|2.895054|1.836917|2.017383|2.354197|2.459931|2.149874|1.883138|15.718834|2.770463|3.960718|4.198297|3.985851|0.125173|3.979433|3.102760|2.768091|4.208616|4.896183|4.778649|7.234086|7.658087|8.241016|14.158024|36.858105| |1.500218|1.694136|3.207004|2.065086|2.254899|2.684100|2.907771|2.527629|2.158523|18.964330|3.486919|4.891004|5.507186|5.561228|0.188307|5.613464|4.078292|3.567562|5.234688|6.165062|6.599696|8.905374|10.963946|7.486307|7.476161|11.045382|388.023441| |1.783901|2.050784|4.010312|2.677726|2.903482|3.623785|4.297098|3.645151|2.911861|28.650329|6.104406|8.182453|10.480989|12.437482|0.248792|7.427195|5.461376|5.537543|7.558586|7.358887|5.849870|7.942369|5.529398|4.619153|3.878865|3.864886|33.660052|36.858105| |1.695950|1.921543|3.759330|2.462193|2.598910|3.107742|3.638065|3.283563|2.697676|26.518360|4.997871|6.311652|8.380153|7.480142|0.155326|6.189285|5.207694|5.175887|7.406440|7.407390|5.157342|7.683680|4.554201|4.087273|3.374841|3.210579|26.319909|13.624902|36.858105| |1.648433|1.858905|3.584586|2.314542|2.457889|2.878491|3.217430|2.911212|2.476421|22.320443|3.914521|5.230683|5.938351|5.002448|0.116889|4.345280|3.808771|3.805060|5.823740|5.793776|3.982328|6.268548|3.777060|3.657214|3.143767|2.930799|22.489145|7.936237|13.863057|36.858105| |1.673623|1.900638|3.605834|2.327246|2.538478|2.989299|3.199654|2.802773|2.418623|20.336521|3.567485|5.095017|5.132500|4.401693|0.111010|3.706307|3.182793|3.205880|4.972880|4.882982|3.514779|5.496952|3.597877|3.600169|3.265779|3.062095|22.513731|6.812557|7.894383|13.658792|36.858105| |1.755765|2.022427|3.820161|2.502684|2.814183|3.431439|3.613752|3.013755|2.566045|21.238842|3.908249|5.928218|5.520702|4.991420|0.133748|3.933289|3.241882|3.288530|5.020185|4.874624|3.718638|5.599753|4.030500|3.956118|3.720280|3.614165|26.611553|7.898937|6.874203|7.979325|13.801731|36.858105| |1.817415|2.109285|4.045781|2.702585|3.044676|3.864021|4.274416|3.451349|2.826209|24.887859|5.029287|7.752835|7.379923|7.542718|0.206382|5.174833|3.998220|4.079871|5.956626|5.740402|4.635167|6.551059|5.036103|4.521557|4.123313|4.190718|33.888893|13.827198|7.967343|6.924960|7.922349|13.667029|36.858105| |1.751951|2.022324|3.738534|2.423964|2.786837|3.350383|3.325262|2.753114|2.410020|18.658879|3.306438|5.172809|4.504393|3.927373|0.111661|3.207059|2.698131|2.741048|4.284757|4.149191|3.114513|4.787896|3.498382|3.536545|3.571299|3.544544|24.626447|5.278467|4.615177|5.195946|7.861002|14.009457|8.181372|73.516695| |1.648161|1.876576|3.423643|2.170551|2.458639|2.832537|2.770961|2.376341|2.139165|16.105648|2.718490|4.132269|3.696410|3.103427|0.086662|2.665319|2.311622|2.334579|3.728499|3.643284|2.633834|4.187248|2.910318|3.035764|3.094648|2.992035|20.163456|3.978128|3.791642|4.511198|6.727944|7.996717|5.259399|24.241757|36.858105| |1.614699|1.833875|3.284039|2.057461|2.354194|2.663660|2.525391|2.169084|1.988785|14.448458|2.394600|3.671672|3.216043|2.665191|0.076451|2.323264|2.032541|2.052180|3.312224|3.237385|2.318287|3.716529|2.599547|2.723688|2.897313|2.868142|18.768697|3.204825|2.986721|3.351187|4.426186|5.246532|4.099727|14.464817|12.699063|36.858105| |1.620922|1.829920|3.229735|1.993971|2.275203|2.503412|2.332195|2.032713|1.901613|13.375657|2.156762|3.292000|2.856734|2.302382|0.065798|2.026912|1.810116|1.844851|3.022468|2.912367|2.007746|3.257626|2.207809|2.291986|2.421000|2.412417|16.002503|2.699254|2.562134|2.861854|3.616828|4.034369|3.300101|9.764209|7.635480|14.460160|36.858105| |17.572973|8.861713|12.971148|4.870020|4.018013|3.135427|2.864616|3.140065|4.013330|18.053514|2.247132|3.233789|2.638093|1.762943|0.050226|1.577297|1.588205|1.807282|3.325140|2.632908|1.425726|2.347649|1.404320|1.307236|1.286761|1.360447|10.524524|1.727800|1.639910|1.580756|1.592987|1.671164|1.745319|2.948366|1.553808|1.520482|1.516810|0.500000| |17.572941|8.861742|12.970531|4.870711|4.018069|3.135740|2.865247|3.141518|4.014765|18.057212|2.247899|3.234106|2.639680|1.765870|0.049737|1.573564|1.582975|1.802864|3.312698|2.620795|1.421959|2.344321|1.397759|1.308856|1.283582|1.344751|10.338644|1.766201|1.699316|1.660311|1.677398|1.739682|1.788302|3.066919|1.632611|1.587565|1.596388|0.301066|0.500000| |17.542311|8.859513|10.260276|4.230560|3.846377|3.006566|2.653037|2.778068|3.387348|16.028140|2.070523|3.030563|2.454023|1.672268|0.047737|1.492078|1.483832|1.666667|3.022553|2.455389|1.362137|2.243594|1.356022|1.274822|1.264280|1.333246|10.163687|1.669378|1.587461|1.553540|1.589074|1.669142|1.714742|2.991684|1.596256|1.580561|1.600059|0.300244|0.300244|0.500000| |8.852226|17.529906|16.540038|7.077156|6.797616|4.615515|3.763852|3.825115|4.788993|20.320140|2.663664|4.054250|3.051026|2.065855|0.060100|1.796981|1.767581|2.015817|3.615300|2.874653|1.619250|2.624838|1.621173|1.503570|1.494237|1.599806|12.391786|2.036398|1.883346|1.812690|1.863131|2.007673|2.110607|3.599780|1.868320|1.845415|1.837017|0.212133|0.173431|0.212629|0.500000| |8.851809|17.530215|16.540361|7.079936|6.798388|4.616751|3.765468|3.827949|4.791752|20.326262|2.665041|4.055030|3.053575|2.070622|0.059269|1.791513|1.760428|2.009754|3.599443|2.858985|1.613774|2.620243|1.611140|1.506060|1.489291|1.574490|12.091847|2.100114|1.974923|1.935587|2.002278|2.129820|2.187953|3.822154|2.010152|1.969231|1.983799|0.173427|0.212131|0.212611|0.301267|0.500000| |4.691507|7.456857|12.489601|8.861351|17.759987|8.972903|5.666078|4.981526|5.624153|24.391190|3.429040|5.666718|3.790583|2.594867|0.076556|2.163614|2.076111|2.388444|4.165317|3.296318|1.928722|3.066959|1.953370|1.801824|1.793060|1.931962|15.052104|2.612611|2.353193|2.264566|2.377170|2.639987|2.793464|4.778661|2.413184|2.365457|2.325257|0.115192|0.115181|0.118449|0.227725|0.227647|0.500000| |2.976666|3.898749|7.416317|5.623315|8.893429|17.730150|8.945016|5.654043|4.923671|28.833203|4.819161|9.519397|5.171224|3.677597|0.113599|2.855220|2.619080|3.018475|5.001422|4.011278|2.502906|3.848292|2.587356|2.340486|2.329869|2.558923|20.443782|3.742236|3.134023|2.940125|3.154220|3.765657|4.228291|6.792803|3.164162|3.024840|2.817457|0.077481|0.077491|0.076677|0.113612|0.113648|0.215951|0.500000| |4.113727|4.869096|13.471601|8.950068|5.637240|4.924304|5.588667|8.839538|17.735849|43.911098|4.281173|5.756863|4.548027|2.748742|0.076030|2.374189|2.471777|3.077552|5.927659|3.990457|2.024213|3.271155|1.916720|1.727214|1.643725|1.732418|14.056720|2.616819|2.480411|2.285610|2.205348|2.297204|2.503908|3.826095|1.937529|1.803381|1.732856|0.115580|0.115631|0.093161|0.120294|0.120358|0.123998|0.107054|0.500000| |1.276423|1.413050|2.664131|1.677425|1.787034|2.052124|2.216963|2.014769|1.761766|15.479083|2.671989|3.580774|4.296657|4.084881|0.108605|4.716222|3.680205|3.013325|4.536367|6.006982|6.798205|12.051558|8.977481|17.760743|8.568183|5.729518|37.848282|4.291430|4.091321|3.759309|3.614347|3.760403|4.091640|5.902093|2.942409|2.606232|2.211244|0.034741|0.034986|0.033920|0.039525|0.039887|0.046960|0.059749|0.045841|0.500000| |1.246781|1.382800|2.559013|1.601097|1.739395|1.986540|2.061944|1.840159|1.637744|13.501900|2.301609|3.238582|3.476807|3.183468|0.092351|3.278300|2.666042|2.359678|3.655467|4.346626|4.030077|6.689676|5.708580|8.584777|17.727344|8.912098|37.752270|3.332444|3.004815|2.901154|3.064537|3.418853|3.590427|6.017672|3.053897|2.915974|2.445156|0.033854|0.033877|0.033469|0.039145|0.039181|0.046628|0.059389|0.042310|0.200638|0.500000| |1.375319|1.541950|2.844880|1.795421|1.984593|2.297000|2.350986|2.051274|1.818292|14.714690|2.547918|3.699675|3.749135|3.416941|0.108308|3.329767|2.697782|2.472758|3.828564|4.304901|3.803058|5.919278|5.392253|5.686079|8.760417|17.778482|55.299686|3.328109|2.798427|2.603242|2.762595|3.267145|3.686404|5.935357|2.867149|2.851096|2.421950|0.037495|0.036902|0.036925|0.044353|0.043381|0.053362|0.070002|0.046428|0.122405|0.203545|0.500000| |1.644697|1.844900|3.636135|2.360472|2.433701|2.852590|3.385988|3.190778|2.633344|27.190796|4.878372|5.753624|8.659332|6.947655|0.140371|6.667593|6.238331|6.020566|8.562946|8.919824|5.325762|8.270810|4.299759|3.802150|3.090991|2.937094|24.423213|8.877946|17.738628|8.955995|5.628992|4.954602|5.660958|6.511373|3.134704|2.558409|2.241955|0.044467|0.045949|0.042631|0.050070|0.052215|0.061001|0.078263|0.068469|0.107905|0.076678|0.071281|0.500000| |1.571377|1.751138|3.371165|2.143916|2.238902|2.555704|2.835368|2.646851|2.298307|20.467694|3.395491|4.450260|5.101406|4.078969|0.096498|3.767231|3.474427|3.450181|5.454379|5.489369|3.516047|5.784329|3.271262|3.223919|2.783442|2.573270|19.482152|5.642481|8.964876|17.700206|8.923968|5.671429|4.977563|7.446029|3.906795|2.989573|2.624171|0.041887|0.044265|0.041188|0.047155|0.050628|0.057602|0.071617|0.059856|0.094501|0.072637|0.064095|0.216144|0.500000| |1.611216|1.814840|3.404987|2.163636|2.350509|2.697876|2.817369|2.509916|2.220697|17.955914|3.017289|4.310614|4.257846|3.527151|0.090873|3.084403|2.722545|2.738806|4.354080|4.285631|2.985747|4.806920|3.072764|3.156357|2.935757|2.734018|19.521767|4.923280|5.641993|8.907038|17.749515|8.867640|5.621750|12.450251|7.431398|4.700818|3.917263|0.042434|0.045036|0.042751|0.049257|0.053462|0.062027|0.079029|0.056718|0.089382|0.078684|0.069727|0.124282|0.216398|0.500000| |1.863819|2.181085|4.152219|2.789912|3.222643|4.186436|4.488741|3.492872|2.867762|24.328036|4.936168|8.162574|6.937244|6.977817|0.228228|4.812277|3.723585|3.821495|5.638199|5.388694|4.380368|6.164555|5.040358|4.442383|4.301692|4.689408|38.542623|8.920717|5.647486|4.982048|5.663629|8.966339|17.751566|13.526255|4.887698|4.130972|3.325723|0.049816|0.050406|0.048986|0.061497|0.062619|0.082698|0.133019|0.069824|0.107073|0.102683|0.116963|0.124051|0.107994|0.124170|0.500000| |1.713603|1.950001|3.556794|2.246945|2.530796|2.875672|2.803156|2.431387|2.208546|16.346441|2.702275|4.088001|3.615344|2.938748|0.080792|2.520708|2.234382|2.294626|3.710715|3.537040|2.444728|3.918557|2.619515|2.686133|2.681130|2.603892|18.029956|3.757484|3.718853|4.559917|6.736724|6.991399|4.726494|16.484927|17.539034|8.910622|7.230737|0.044577|0.047491|0.046058|0.053360|0.058583|0.069030|0.087867|0.055662|0.073154|0.073131|0.069298|0.086213|0.112746|0.226607|0.119391|0.500000| |1.517968|1.709282|3.129916|1.969073|2.190751|2.499977|2.494387|2.180189|1.963575|15.129192|2.538932|3.755658|3.539647|3.004679|0.082581|2.663010|2.304800|2.278330|3.630719|3.664562|2.695725|4.344419|2.988908|3.221043|3.261429|3.035403|20.020696|3.853322|3.809138|4.661816|6.890542|7.199731|4.855970|16.588536|17.507977|8.942719|6.098324|0.039980|0.041893|0.040838|0.047212|0.050454|0.059446|0.076134|0.049937|0.088790|0.091204|0.079790|0.088143|0.114636|0.226608|0.121996|0.300961|0.500000| 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