Version2.0 2019-11-28T03:55:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCN(CC1)CCCN2[C@H](C(=O)N(C2=S)c3ccc(cc3)F)CC(=O)Nc4ccc(cc4)OC C20115153 RHF 6-31G(d) (6D,7F) C[NH+]1CCN(CC1)CCCN2[C@H](C(=O)N(C2=S)c3ccc(cc3)F)CC(=O)Nc4ccc(cc4)OC C01[X(C26H33F1N5O3S1)] 201 C1 610 COc1ccc(cc1)NC(=O)C[C@@H]1N(CCCN2CC[NH+](CC2)C)C(=S)N(C1=O)c1ccc(cc1)F COc1ccc(cc1)NC(=O)C[C@@H]1N(CCCN2CC[NH](CC2)C)[C@H](N(C1=O)c1ccc(cc1)F)S COc1ccc(NC(=O)C[C@@H]2N(CCCN3CC[NH](C)CC3)[C@@H](S)N(C2=O)c4ccc(F)cc4)cc1 InChIKey=GQSPYZPVEQNGMY-JYFHCDHNSA-N InChI=1S/C26H35FN5O3S/c1-29-14-16-30(17-15-29)12-3-13-31-23(18-24(33)28-20-6-10-22(35-2)11-7-20)25(34)32(26(31)36)21-8-4-19(27)5-9-21/h4-11,23,26,29,36H,3,12-18H2,1-2H3,(H,28,33)/t23-,26+/m0/s1 InChI=1/C26H35FN5O3S/c1-29-14-16-30(17-15-29)12-3-13-31-23(18-24(33)28-20-6-10-22(35-2)11-7-20)25(34)32(26(31)36)21-8-4-19(27)5-9-21/h4-11,23,26,29,36H,3,12-18H2,1-2H3,(H,28,33)/t23-,26+/m0/s1/f/h28H C[NH+]1CCN(CC1)CCCN2[C@H](C(=O)N(C2=S)c3ccc(cc3)F)CC(=O)Nc4ccc(cc4)OC C01[X(C26H33F1N5O3S1)] 201 C01 610 COc1ccc(cc1)NC(=O)C[C@@H]1N(CCCN2CC[NH+](CC2)C)C(=S)N(C1=O)c1ccc(cc1)F COc1ccc(cc1)NC(=O)C[C@@H]1N(CCCN2CC[NH](CC2)C)[C@H](N(C1=O)c1ccc(cc1)F)S COc1ccc(NC(=O)C[C@@H]2N(CCCN3CC[NH](C)CC3)[C@@H](S)N(C2=O)c4ccc(F)cc4)cc1 InChIKey=GQSPYZPVEQNGMY-JYFHCDHNSA-N InChI=1S/C26H35FN5O3S/c1-29-14-16-30(17-15-29)12-3-13-31-23(18-24(33)28-20-6-10-22(35-2)11-7-20)25(34)32(26(31)36)21-8-4-19(27)5-9-21/h4-11,23,26,29,36H,3,12-18H2,1-2H3,(H,28,33)/t23-,26+/m0/s1 InChI=1/C26H35FN5O3S/c1-29-14-16-30(17-15-29)12-3-13-31-23(18-24(33)28-20-6-10-22(35-2)11-7-20)25(34)32(26(31)36)21-8-4-19(27)5-9-21/h4-11,23,26,29,36H,3,12-18H2,1-2H3,(H,28,33)/t23-,26+/m0/s1/f/h28H 3877.2819033893 -1997.3953906 1-A 31657.3344 136 474 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95997 -26.36602 -20.63507 -20.63082 -20.59355 -15.86254 -15.70782 -15.70016 -15.69756 -15.65968 -11.45946 -11.44951 -11.44725 -11.44699 -11.44582 -11.42272 -11.41000 -11.40659 -11.38747 -11.37633 -11.37223 -11.36311 -11.34609 -11.34321 -11.32993 -11.32603 -11.32168 -11.32021 -11.31425 -11.31337 -11.29970 -11.29910 -11.28768 -11.28344 -11.27648 -11.27168 -8.97137 -6.65486 -6.65183 -6.65080 -1.68553 -1.51058 -1.50719 -1.46348 -1.46069 -1.44098 -1.38563 -1.33273 -1.31419 -1.22911 -1.21925 -1.19786 -1.19529 -1.17218 -1.15033 -1.10624 -1.09966 -1.08982 -1.08461 -1.07289 -1.06059 -1.05780 -1.03950 -0.99877 -0.98862 -0.97051 -0.94267 -0.92899 -0.92448 -0.89775 -0.89472 -0.88128 -0.87953 -0.85879 -0.85355 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0.00203 0.00832 0.99996 1 0.00391 0.00228 0.00156 0.08151 0.04751 0.03245 7.87 11.59 17.75 25.84 30.96 35.03 43.76 55.10 65.78 74.58 79.14 103.98 122.20 127.62 147.36 184.52 195.85 221.99 224.49 242.13 282.77 321.83 332.31 345.07 355.20 369.22 377.24 400.13 401.14 448.48 462.08 470.09 538.40 556.34 574.66 579.28 595.24 613.28 614.28 637.49 663.14 672.88 676.62 711.87 714.76 718.92 748.99 756.02 779.25 802.71 830.44 841.22 849.49 919.90 938.38 960.24 994.38 1003.36 1009.87 1025.66 1081.00 1130.98 1133.38 1150.82 1173.04 1192.25 1196.73 1239.28 1284.02 1300.49 1303.88 1322.43 1329.09 1334.84 1352.60 1360.46 1369.83 1416.99 1428.48 1448.72 1513.60 1530.99 1538.14 1543.66 1557.32 1568.46 1569.49 1583.81 1593.56 1598.92 1600.21 1613.31 1620.62 1643.55 1649.34 1667.72 1695.71 1702.91 1706.73 1716.19 1734.28 1752.18 1802.48 1827.70 1830.95 1836.98 1844.32 1844.78 1856.38 1861.11 1861.65 1870.48 1890.30 1896.50 1918.13 1930.98 1944.23 1993.61 2000.37 2008.71 2027.19 2032.96 2055.40 2068.90 2070.43 2081.83 2086.37 2103.88 2108.35 2119.33 2138.09 2173.51 2179.42 2197.84 2215.16 2224.67 2235.02 2247.79 2264.62 2269.36 2274.72 2275.44 2287.00 2302.22 2311.43 2315.46 2334.62 2336.59 2346.96 2360.41 2361.67 2363.61 2369.14 2373.19 2375.53 2376.69 2383.56 2387.63 2396.87 2443.09 2447.89 2467.70 2580.28 2588.20 2619.90 2629.49 2798.13 2939.32 4488.39 4499.92 4547.84 4618.74 4651.73 4673.17 4686.09 4692.18 4694.14 4696.48 4710.19 4713.54 4718.71 4734.14 4741.99 4742.57 4777.05 4784.42 4797.30 4807.68 4811.43 4836.76 4839.42 4843.61 4876.93 4881.68 4882.05 4906.93 4907.65 4909.60 4915.69 5299.15 5585.40 0.621327 0.653783 0.654727 0.547683 -1996.774063 -1996.741608 -1996.740664 -1996.847708 3.590273D-04 MUNgauss RevisionA1.9 retrievium 28-Nov-2019 DUDE C[NH+]1CCN(CC1)CCCN2[C@H](C(=O)N(C2=S)c3ccc(cc3)F)CC(=O)Nc4ccc(cc4)OC C20115153 RHF 6-31G(d) (6D,10F) C1 514.228776 |X|Y|Z| 102.819546 140.148878 37.989513 81.804340 29 6 7 24 5 |36.858105| |12.783964|53.358707| |9.372438|25.687409|0.500000| |7.664643|17.248993|0.259179|36.858105| |4.984094|10.445990|0.198341|12.526474|36.858105| |4.484847|9.051905|0.165774|7.844931|13.186294|53.358707| |4.988575|10.466568|0.198835|6.666337|8.024145|17.923196|36.858105| |7.661243|17.241158|0.259254|7.701638|6.652815|10.666259|12.539105|36.858105| |3.341377|6.050183|0.118422|5.071045|7.824816|17.709908|7.836158|5.074386|36.858105| |2.918909|4.958410|0.095025|3.943036|5.092440|10.454844|6.089726|4.376714|12.477152|36.858105| |2.384545|3.906698|0.077080|3.076134|3.857547|6.771040|4.291086|3.293447|7.542049|12.447434|36.858105| |2.135300|3.385172|0.066369|2.606414|3.080370|5.232004|3.521598|2.870898|4.981829|7.674879|13.120076|53.358707| |1.979623|3.068755|0.059570|2.395856|2.753812|4.500333|2.979388|2.547570|4.034649|5.689396|7.481075|17.842239|36.858105| |2.112749|3.270404|0.062554|2.587256|2.949059|4.850936|3.135710|2.717240|4.239202|6.074229|6.772596|12.376796|17.579418|0.500000| |1.821952|2.771156|0.053920|2.109664|2.353739|3.799653|2.635390|2.315574|3.231444|4.312801|5.145282|11.284303|12.595139|0.247943|36.858105| |1.677243|2.511334|0.048824|1.911867|2.095466|3.304712|2.299501|2.070885|2.733585|3.470152|3.948479|7.506258|7.888151|0.188419|16.077958|73.516695| |1.871647|2.862207|0.056090|2.132386|2.383205|3.907498|2.809089|2.436810|3.319705|4.449885|5.302628|11.790524|8.210978|0.176257|13.786367|14.744552|53.358707| |2.061191|3.228603|0.063636|2.405524|2.766569|4.677029|3.362803|2.786988|4.172206|5.926825|7.740442|19.334040|8.202960|0.176761|8.347131|9.890446|18.798988|36.858105| |2.135769|3.367157|0.067545|2.425343|2.780878|4.709832|3.633293|2.959709|4.084706|5.243036|6.054471|9.642406|4.840349|0.117336|4.905294|6.821174|9.583389|11.458893|388.023441| |1.728252|2.599056|0.051173|1.903282|2.082291|3.347683|2.476506|2.205810|2.741130|3.453448|3.874067|7.234994|5.140543|0.122314|7.712379|11.767621|18.104441|7.612975|42.524115|36.858105| |1.574704|2.358927|0.046963|1.724250|1.887320|2.975654|2.209840|1.972255|2.440530|2.949612|3.377691|5.949486|4.158735|0.098350|5.592185|9.138283|10.634841|5.843250|37.371807|13.766433|36.858105| |1.462139|2.162494|0.043149|1.567130|1.690336|2.628306|1.974524|1.797099|2.107339|2.473822|2.733590|4.544492|3.229048|0.079709|4.118678|7.167493|6.999284|4.188209|29.014776|7.954559|13.781657|36.858105| |1.471116|2.154504|0.042747|1.550641|1.649785|2.564382|1.941865|1.798199|2.015189|2.360323|2.517381|4.120853|2.976508|0.075988|3.784059|6.755615|6.225128|3.729043|25.950034|6.969675|8.022968|13.812234|36.858105| |1.591085|2.327944|0.045756|1.673446|1.771107|2.783387|2.109465|1.965126|2.168009|2.585964|2.692994|4.461080|3.265566|0.085185|4.249991|7.593179|7.006043|4.059114|27.333847|7.952946|6.856571|7.885975|13.820060|36.858105| |1.739199|2.578633|0.050389|1.868997|2.002069|3.207040|2.404697|2.201143|2.537059|3.146230|3.304108|5.769650|4.237084|0.109170|5.930260|10.056650|10.664690|5.514416|34.036040|13.776072|7.927726|6.858958|8.024814|13.773371|36.858105| |1.362724|1.976213|0.039329|1.416456|1.493280|2.291196|1.742210|1.634532|1.779319|2.038550|2.147840|3.406912|2.469027|0.064030|3.010391|5.445746|4.723352|2.972246|21.180942|4.694874|5.321491|8.183989|14.384439|8.186622|5.321852|97.533100| |1.786827|2.748214|0.053879|2.174516|2.501871|3.904702|2.555290|2.211538|3.494465|4.402622|5.856589|10.259630|12.407914|0.246833|7.585700|11.324001|7.455555|5.427049|26.832992|4.007051|3.567427|2.859811|2.595757|2.741296|3.345271|4.969825|36.858105| |1.721585|2.607746|0.050715|2.086522|2.348263|3.574285|2.319610|2.066216|3.062684|3.695565|4.338352|6.853184|7.611411|0.211198|5.776297|10.150917|5.708662|3.987311|21.231410|3.321008|2.958770|2.480967|2.320791|2.476478|2.950107|4.531641|12.486239|36.858105| |1.846104|2.796901|0.053857|2.276182|2.553498|3.867575|2.453122|2.202152|3.268650|3.907884|4.292007|6.344804|6.593711|0.217896|4.911531|8.476872|5.100254|3.672864|20.106240|3.004518|2.641980|2.252652|2.148041|2.323358|2.756708|4.230304|8.086754|15.856372|73.516695| |1.537017|2.297606|0.044923|1.820139|2.015828|3.015629|1.997374|1.806522|2.525445|2.948622|3.400481|5.337978|5.369089|0.143378|4.845936|9.386181|4.961679|3.348145|18.525484|3.060544|2.817310|2.412471|2.253216|2.366153|2.743248|4.451178|7.819488|14.153135|14.980214|53.358707| |1.449842|2.139548|0.041734|1.697144|1.847085|2.717468|1.806386|1.664627|2.216468|2.521958|2.781374|4.216786|3.988308|0.112487|3.753743|7.438507|4.033884|2.729874|15.707777|2.593696|2.402387|2.121864|2.021529|2.127484|2.409197|4.066833|5.011061|7.747791|11.830467|18.213595|36.858105| |1.453723|2.138578|0.041675|1.716776|1.861699|2.691293|1.769215|1.641058|2.175817|2.412598|2.603901|3.781572|3.433090|0.099662|3.117365|5.916312|3.477610|2.429040|14.317903|2.244392|2.083769|1.859266|1.782943|1.877215|2.108092|3.623108|4.195398|6.169586|11.131470|10.562440|13.686869|36.858105| |1.357715|1.974267|0.038478|1.578546|1.685937|2.410113|1.599143|1.504246|1.911592|2.087044|2.206215|3.175050|2.791127|0.081256|2.613498|4.993472|2.994839|2.088736|12.597159|1.980738|1.851973|1.682479|1.630311|1.713690|1.892800|3.354506|3.234544|4.314936|7.936421|6.992661|7.945952|13.853798|36.858105| |1.273158|1.839206|0.035879|1.453358|1.539773|2.210021|1.487394|1.407683|1.739806|1.908128|2.012398|2.940185|2.570876|0.074055|2.504447|4.905743|2.886625|1.978309|12.000211|1.948970|1.832784|1.685205|1.643655|1.723854|1.881588|3.404373|2.905151|3.716741|6.590076|6.162619|6.841252|7.915685|13.661254|36.858105| |1.269999|1.839023|0.035902|1.440824|1.530901|2.223395|1.508510|1.421741|1.759583|1.959714|2.089887|3.129094|2.778411|0.078813|2.797574|5.667138|3.178804|2.129318|12.775048|2.162699|2.036750|1.871820|1.823290|1.909661|2.084229|3.761353|3.137097|3.989009|6.723012|7.002857|7.906263|6.866632|7.943021|13.762269|36.858105| |1.350154|1.973707|0.038532|1.546992|1.662681|2.444564|1.652609|1.538987|1.964359|2.228678|2.426094|3.718204|3.426239|0.095760|3.461058|7.181433|3.788771|2.501573|14.617837|2.527595|2.363718|2.129041|2.048702|2.149213|2.389679|4.158753|4.010034|5.357240|8.418631|10.720285|13.821825|7.971217|6.914908|7.943040|13.702845|36.858105| |1.198053|1.716839|0.033525|1.353516|1.420448|2.020247|1.366900|1.305434|1.572338|1.702239|1.773787|2.561248|2.186600|0.063055|2.140686|4.147945|2.523247|1.741640|10.753286|1.725942|1.632349|1.519314|1.491704|1.560622|1.682829|3.122075|2.415463|2.960351|5.327977|4.671748|4.615743|5.298683|8.204790|14.156060|7.872957|5.200770|73.516695| |1.124602|1.603453|0.031357|1.252995|1.307747|1.862968|1.273732|1.222073|1.442221|1.562066|1.624167|2.359245|1.994418|0.057078|1.996190|3.900615|2.379582|1.629732|10.147280|1.655126|1.575494|1.484081|1.465998|1.528375|1.627676|3.094222|2.165761|2.574107|4.564476|4.036652|3.787602|3.985226|5.258518|8.016149|6.721780|4.511615|24.180944|36.858105| |17.645371|12.313111|0.224134|5.586304|4.154506|5.362941|4.648743|7.071560|3.046703|2.718961|2.254796|2.781570|1.885026|0.055379|1.758478|2.882180|2.485252|2.005516|15.028324|1.706023|1.560889|1.459373|1.474077|1.591682|1.725989|3.086295|1.696902|1.625808|3.069584|1.987965|1.376653|1.372107|1.283839|1.211250|1.213832|1.290018|2.028891|1.076628|0.500000| |17.645012|12.311009|0.224098|7.071285|4.645102|5.363420|4.158472|5.584318|3.046002|2.635653|2.201357|2.679799|1.838461|0.054308|1.688519|2.778417|2.345248|1.889241|13.843738|1.593005|1.463052|1.361667|1.365237|1.466544|1.595458|2.856806|1.684672|1.632719|3.113456|1.994809|1.389524|1.402598|1.315643|1.231512|1.222168|1.293296|2.068600|1.091429|0.299123|0.500000| |17.650842|12.340966|0.181466|6.974891|4.622219|5.893723|4.624308|6.970488|3.252502|2.931619|2.378274|2.935529|2.027757|0.060840|1.870991|3.077132|2.594566|2.077152|15.054973|1.758996|1.590005|1.476621|1.494708|1.629545|1.785537|3.112290|1.820792|1.772538|3.406062|2.151453|1.498483|1.504484|1.408577|1.321909|1.317221|1.397479|2.212906|1.168131|0.299179|0.299162|0.500000| |7.107393|12.420836|0.182091|17.633404|8.843705|9.638301|5.850400|7.006701|4.761835|3.960837|3.053677|3.590770|2.476349|0.075741|2.181517|3.534417|2.964836|2.424097|17.004972|1.939883|1.740471|1.581697|1.575128|1.714720|1.922367|3.232887|2.231777|2.175220|4.279166|2.573614|1.774270|1.800233|1.658702|1.525811|1.509260|1.617262|2.526160|1.313100|0.144293|0.176344|0.213638|0.500000| |7.113883|12.356901|0.225692|17.620594|8.778694|7.675701|4.985476|5.617384|4.155075|3.299576|2.697690|3.145848|2.148708|0.063956|1.904174|3.097740|2.607241|2.138370|15.326813|1.724145|1.578395|1.443773|1.426955|1.528999|1.691755|2.952243|1.989077|1.924981|3.723168|2.310903|1.596190|1.627125|1.507264|1.387275|1.367498|1.458045|2.310966|1.203898|0.145066|0.217486|0.173558|0.299567|0.500000| |4.151942|7.630211|0.145134|9.024166|17.609603|12.483483|5.745550|4.968762|7.260859|4.916485|3.861852|4.183550|2.815732|0.084550|2.364876|3.763614|3.189971|2.692254|18.657934|2.031635|1.844334|1.647170|1.602134|1.716423|1.943324|3.262089|2.615413|2.493117|4.895910|2.895345|1.955450|1.996283|1.802127|1.627915|1.605027|1.741705|2.665790|1.369993|0.096929|0.111600|0.111282|0.216908|0.212705|0.500000| |4.584943|9.315658|0.207579|8.842636|17.395555|12.206394|7.126613|5.781239|6.806950|4.465172|3.608716|3.919278|2.543004|0.073905|2.195794|3.480773|3.059195|2.620437|19.207729|1.982671|1.823432|1.639748|1.591050|1.689712|1.893405|3.254558|2.345900|2.178987|4.140569|2.575563|1.731714|1.742318|1.581872|1.449289|1.442694|1.564547|2.383378|1.238170|0.110337|0.122848|0.112820|0.173272|0.214627|0.302083|0.500000| |4.151470|7.636485|0.145574|4.967482|5.740320|12.432596|17.637783|9.024082|7.272309|6.857622|4.733938|5.430688|3.280789|0.095198|2.943144|4.498119|4.387664|3.939454|31.239137|2.832493|2.487407|2.205122|2.174062|2.385553|2.756326|4.342477|2.722351|2.431305|4.520384|2.841539|1.871719|1.808992|1.628371|1.523263|1.559255|1.719822|2.477685|1.302836|0.111668|0.096950|0.111113|0.130517|0.109222|0.127736|0.144522|0.500000| |4.596969|9.363254|0.209063|5.815528|7.164260|12.241632|17.396942|8.848695|6.824324|5.132696|3.975930|4.423911|2.726558|0.077838|2.431440|3.786653|3.559104|3.140830|25.001072|2.334006|2.126387|1.910572|1.863661|1.993423|2.243344|3.785699|2.391645|2.154690|3.997217|2.553413|1.696250|1.662178|1.506113|1.403184|1.422853|1.555549|2.298933|1.207715|0.123042|0.110686|0.113018|0.134270|0.130680|0.144920|0.212615|0.302975|0.500000| |7.107752|12.355312|0.225931|5.618184|4.978660|7.670530|8.784781|17.621895|4.159213|3.743011|2.953894|3.593160|2.340222|0.068366|2.175337|3.478835|3.159894|2.632872|20.448623|2.145202|1.933409|1.781701|1.792968|1.953454|2.158966|3.692673|2.037501|1.898221|3.553507|2.285624|1.551109|1.521772|1.401926|1.321784|1.340175|1.446724|2.186640|1.158457|0.217362|0.145007|0.173329|0.143308|0.126705|0.109212|0.130026|0.213224|0.214393|0.500000| |7.104532|12.413144|0.182085|7.001880|5.839494|9.623141|8.838105|17.633759|4.762712|4.408808|3.269356|3.972554|2.647856|0.080071|2.416076|3.861773|3.420350|2.824407|20.696199|2.270515|2.002160|1.824345|1.842570|2.040253|2.298282|3.760196|2.272220|2.151493|4.121060|2.552144|1.736356|1.711831|1.571523|1.472168|1.486840|1.607788|2.425901|1.276926|0.176425|0.144217|0.213464|0.210095|0.143255|0.130704|0.133698|0.215857|0.173212|0.299536|0.500000| |3.105870|5.455666|0.107091|4.886062|7.646832|12.536674|5.735287|4.235853|17.579876|8.895942|6.796755|6.239336|3.934726|0.115920|3.082651|4.709141|4.161608|3.716563|24.873317|2.527209|2.274286|1.970462|1.878399|2.007823|2.332935|3.751752|3.595237|3.219090|6.222488|3.586614|2.319699|2.315736|2.023857|1.816887|1.818130|2.026388|2.914997|1.491013|0.077649|0.080835|0.084522|0.128944|0.115937|0.238198|0.184855|0.144732|0.145455|0.097749|0.112890|0.500000| |3.135540|5.637642|0.116293|4.466810|6.619713|12.272772|7.316830|4.671778|17.454419|8.799651|7.040485|6.387154|3.680643|0.102674|3.031890|4.565575|4.358105|4.094722|30.487208|2.687298|2.445585|2.116595|2.003176|2.123187|2.457196|3.992218|3.260915|2.802958|5.167519|3.210801|2.066204|2.017952|1.780560|1.630776|1.655245|1.845190|2.628797|1.363403|0.081241|0.080191|0.082727|0.112037|0.105672|0.164660|0.187168|0.191071|0.209238|0.111746|0.116218|0.302984|0.500000| |3.001423|5.067103|0.096906|3.789587|4.620818|9.585267|6.722790|4.774708|8.818818|17.606958|8.951798|9.722487|5.193153|0.150520|4.320714|6.161342|6.488564|6.506392|44.755933|3.774724|3.161352|2.656796|2.562504|2.846071|3.496516|4.947000|3.899044|3.292751|6.068554|3.681383|2.336424|2.211424|1.937450|1.798703|1.862836|2.108690|2.868688|1.495995|0.079239|0.073886|0.083745|0.105631|0.087560|0.117755|0.114562|0.246827|0.153285|0.116230|0.134033|0.173966|0.206359|0.500000| |2.918281|4.838354|0.090240|3.965202|4.887269|9.451604|5.298003|4.186678|8.904183|17.553924|8.804366|9.354766|6.027638|0.202695|4.456384|6.499400|5.863205|5.248762|31.027370|3.346065|2.814427|2.379507|2.302418|2.558089|3.123799|4.486000|4.594481|4.076266|8.070748|4.319876|2.737774|2.637144|2.271257|2.061749|2.107417|2.398219|3.255698|1.669613|0.074522|0.073289|0.083569|0.116311|0.092115|0.137149|0.114056|0.159378|0.120965|0.098288|0.123725|0.217940|0.173666|0.302635|0.500000| |2.267229|3.682462|0.072786|2.985821|3.767316|6.207678|3.772256|2.989220|6.799227|8.816857|17.601470|12.611514|7.168644|0.184369|4.708236|6.700617|6.113533|5.789220|32.678816|3.382910|3.022769|2.484144|2.286583|2.422551|2.915201|4.443536|6.662159|4.923833|8.739988|5.099926|3.025919|2.875009|2.395352|2.144920|2.204497|2.569500|3.340060|1.700816|0.059014|0.058987|0.062911|0.082574|0.073995|0.109701|0.098100|0.109916|0.098220|0.074117|0.082650|0.200047|0.173014|0.174600|0.212843|0.500000| |2.324403|3.821912|0.077129|2.945470|3.707848|6.353267|4.253720|3.210399|6.957915|8.818753|17.644746|12.607448|5.656151|0.138806|4.398301|6.169776|6.569677|7.193308|48.203568|3.716745|3.376228|2.747642|2.493785|2.611698|3.136124|4.814278|4.818142|3.634325|6.261860|4.070266|2.480134|2.327671|1.999389|1.839188|1.910759|2.197010|2.907227|1.508155|0.061722|0.059824|0.063388|0.079235|0.072481|0.100767|0.100529|0.130288|0.115320|0.081547|0.085978|0.169114|0.214438|0.211459|0.173100|0.302924|0.500000| |1.548062|2.333111|0.046722|1.717047|1.900271|2.979911|2.192429|1.934233|2.487854|2.979557|3.549642|6.226862|4.259199|0.097803|5.407171|8.615115|9.770877|5.935292|37.859521|8.927989|17.741792|8.929969|5.682412|4.945401|5.646688|9.620133|3.814604|3.063608|4.782730|3.981284|2.453938|2.128140|1.877138|1.844578|2.043327|2.385315|2.911457|1.572583|0.042492|0.040144|0.043188|0.047843|0.043811|0.051824|0.051359|0.067932|0.059175|0.052442|0.054066|0.064903|0.070080|0.086929|0.077935|0.089189|0.100685|0.500000| |1.370017|2.020726|0.040547|1.464598|1.578764|2.427359|1.823192|1.663238|1.944577|2.238047|2.481820|4.015030|2.845597|0.070466|3.479620|6.097715|5.656722|3.575593|25.423160|5.639422|8.865030|17.752681|8.956659|5.639049|4.947807|16.735422|2.606163|2.275589|3.669945|3.050070|1.985545|1.749923|1.592363|1.598474|1.770759|1.998593|2.575338|1.420122|0.038042|0.035622|0.038279|0.040875|0.037713|0.042803|0.042846|0.055983|0.049481|0.045935|0.046603|0.050841|0.054708|0.066064|0.059578|0.063467|0.070195|0.213118|0.500000| |1.571380|2.273855|0.044549|1.626095|1.699005|2.652035|2.019999|1.915798|2.030043|2.388413|2.428778|3.914836|2.890134|0.077403|3.621346|6.572782|5.663264|3.435814|23.485732|5.638602|4.946546|5.638760|8.959347|17.752259|8.859976|16.740718|2.453105|2.269937|3.844647|2.963216|1.994161|1.776830|1.640009|1.658082|1.828629|2.028776|2.690745|1.490686|0.043825|0.040202|0.044918|0.046486|0.041355|0.045668|0.044926|0.063124|0.052869|0.053195|0.055616|0.052322|0.054961|0.072997|0.066298|0.061167|0.065200|0.107447|0.124572|0.500000| 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