Version2.0 2020-02-02T10:30:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN(c1nc2c(ccc(c2s1)C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)C C36660311 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN(c1nc2c(ccc(c2s1)C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)C C01[X(C27H37N4O3S2)] 213 C1 622 CC[NH+](CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C)c1nc2c(s1)c(C)ccc2C)CC CC[NH+](CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C)c1nc2c(s1)c(C)ccc2C)CC CC[NH+](CC)CCN(C(=O)[C@H]1CCCN1[S](=O)(=O)c2ccc(C)cc2)c3sc4c(C)ccc(C)c4n3 InChIKey=BRYASGYAERTAJG-HSZRJFAPSA-O InChI=1S/C27H36N4O3S2/c1-6-29(7-2)17-18-30(27-28-24-20(4)12-13-21(5)25(24)35-27)26(32)23-9-8-16-31(23)36(33,34)22-14-10-19(3)11-15-22/h10-15,23H,6-9,16-18H2,1-5H3/p+1/t23-/m1/s1 InChI=1/C27H36N4O3S2/c1-6-29(7-2)17-18-30(27-28-24-20(4)12-13-21(5)25(24)35-27)26(32)23-9-8-16-31(23)36(33,34)22-14-10-19(3)11-15-22/h10-15,23H,6-9,16-18H2,1-5H3/p+1/t23-/m1/s1/fC27H37N4O3S2/h29H/q+1 CC[NH+](CC)CCN(c1nc2c(ccc(c2s1)C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)C C01[X(C27H37N4O3S2)] 213 C01 622 CC[NH+](CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C)c1nc2c(s1)c(C)ccc2C)CC CC[NH](CCN(C(=O)[C@H]1CCCN1[S@@](=O)(c1ccc(cc1)C)O)c1nc2c(s1)c(C)ccc2C)CC CC[NH](CC)CCN(C(=O)[C@H]1CCCN1[S](O)(=O)c2ccc(C)cc2)c3sc4c(C)ccc(C)c4n3 InChIKey=CQSUUYCGQFDAKI-HSZRJFAPSA-N InChI=1S/C28H34ClN4O3/c1-2-36-25-6-4-3-5-21(25)27(35)33-17-23(28(18-33)10-13-30-14-11-28)26(34)31-12-9-19-16-32-24-8-7-20(29)15-22(19)24/h3-8,15-16,23,32H,2,9-14,17-18,30H2,1H3,(H,31,34)/t23-/m1/s1 InChI=1/C28H34ClN4O3/c1-2-36-25-6-4-3-5-21(25)27(35)33-17-23(28(18-33)10-13-30-14-11-28)26(34)31-12-9-19-16-32-24-8-7-20(29)15-22(19)24/h3-8,15-16,23,32H,2,9-14,17-18,30H2,1H3,(H,31,34)/t23-/m1/s1/f/h31H 4528.2364753656 -2281.1592739 1-A 22945.3845 141 481 622 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.28888 -92.05974 -20.65113 -20.63722 -20.63239 -15.84040 -15.73004 -15.68449 -15.65582 -11.47060 -11.44650 -11.43709 -11.42856 -11.42673 -11.40029 -11.39315 -11.36987 -11.36490 -11.35365 -11.34429 -11.33970 -11.33496 -11.33378 -11.32897 -11.32794 -11.32724 -11.32272 -11.31963 -11.31590 -11.30850 -11.30759 -11.30529 -11.30236 -11.29970 -11.29109 -11.29072 -9.26095 -9.06883 -6.94726 -6.94693 -6.94576 -6.75105 -6.75007 -6.74816 -1.55985 -1.52570 -1.47998 -1.43103 -1.41900 -1.35945 -1.34471 -1.24956 -1.22971 -1.20844 -1.19898 -1.17552 -1.16426 -1.13988 -1.13479 -1.12631 -1.11319 -1.10366 -1.07199 -1.05421 -1.04011 -1.02952 -1.02765 -1.02389 -0.99447 -0.97621 -0.96548 -0.92005 -0.91749 -0.91323 -0.88970 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12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14801.0208 29294.8665 37384.6488 0.99966 -0.02548 -0.00594 0.02547 0.99968 -0.00034 0.00594 0.00019 0.99998 1 0.00585 0.00296 0.00232 0.12193 0.06161 0.04827 15.83 27.35 32.68 38.33 43.36 45.38 46.95 58.25 77.87 91.58 102.52 117.10 131.70 138.14 178.76 184.03 192.57 211.44 211.97 214.82 238.05 242.99 264.94 271.38 285.40 293.69 322.28 345.98 385.33 402.49 404.11 417.95 432.85 442.18 469.16 493.63 498.62 508.22 526.10 527.75 557.39 591.41 606.22 626.05 646.26 657.80 664.42 681.28 701.26 750.04 762.96 778.63 822.03 824.42 856.56 868.54 886.74 913.22 921.67 946.03 999.04 1009.04 1043.87 1062.34 1070.49 1123.83 1130.61 1152.55 1184.47 1212.12 1225.78 1238.55 1246.04 1252.12 1271.36 1326.97 1330.57 1336.66 1374.40 1377.01 1380.19 1393.32 1422.94 1440.18 1457.61 1508.17 1512.87 1534.78 1546.07 1564.84 1574.80 1575.54 1585.90 1593.02 1604.78 1608.65 1619.99 1626.59 1673.45 1677.22 1685.52 1690.21 1690.62 1693.27 1709.10 1718.01 1727.67 1738.69 1762.83 1783.82 1792.82 1808.85 1856.68 1860.39 1872.01 1885.51 1891.42 1896.71 1914.39 1922.66 1942.99 1945.66 1953.63 2004.01 2013.10 2016.95 2029.47 2040.00 2050.18 2065.56 2079.55 2093.88 2104.00 2140.65 2151.99 2158.21 2176.91 2194.19 2200.34 2218.57 2220.26 2246.16 2254.45 2257.99 2259.61 2263.49 2269.46 2276.09 2280.53 2286.32 2305.92 2342.78 2343.89 2344.74 2347.88 2349.98 2352.97 2353.23 2354.24 2356.52 2359.35 2365.62 2368.99 2383.90 2386.54 2393.22 2396.97 2406.96 2411.28 2411.70 2476.46 2542.84 2563.13 2590.91 2595.20 2862.18 4600.04 4608.32 4622.84 4633.57 4638.24 4648.77 4667.81 4674.06 4682.44 4688.98 4704.70 4705.98 4721.04 4724.24 4733.10 4735.04 4736.54 4737.48 4744.25 4745.13 4750.03 4757.89 4758.61 4760.52 4763.48 4779.45 4815.15 4837.23 4838.38 4838.48 4851.14 4863.28 4863.60 4864.73 4894.23 4917.46 5295.16 0.663652 0.698361 0.699305 0.592023 -2280.495622 -2280.460913 -2280.459969 -2280.567251 3.598256D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CC[NH+](CC)CCN(c1nc2c(ccc(c2s1)C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c4ccc(cc4)C C36660311 RHF 6-31G(d) (6D,10F) C1 529.230710 |X|Y|Z| 81.296481 45.746793 119.345889 76.280457 23 6 7 16 18 3 2 |36.858105| |12.530226|36.858105| |7.567026|12.583096|53.358707| |7.551099|9.291766|25.690359|0.500000| |5.917836|7.612206|17.203601|0.259208|36.858105| |4.402382|4.984525|10.295871|0.207794|12.523503|36.858105| |5.025675|7.647483|17.202618|0.258381|7.599653|5.964133|36.858105| |4.512160|5.976236|10.435285|0.214112|5.040402|4.506030|12.466782|36.858105| |3.443222|4.357174|6.860715|0.135534|3.845986|3.554822|7.698292|13.084298|53.358707| |3.295843|4.166044|5.876892|0.112549|3.369539|3.003989|5.966893|7.900015|18.489092|36.858105| |3.802095|4.997922|6.405003|0.118392|3.580378|3.034975|6.115267|7.128586|11.203103|14.942457|53.358707| |3.208849|3.957529|4.900081|0.091737|2.928461|2.518497|4.298935|4.695495|7.350034|8.646983|18.639590|36.858105| |3.221583|3.856733|4.501760|0.083901|2.762967|2.342511|3.672245|3.785094|5.434167|5.387050|10.488708|13.603316|36.858105| |2.642059|3.029713|3.636625|0.068868|2.314345|2.009979|2.925522|3.015466|4.402079|4.184410|7.049937|8.062845|13.826362|36.858105| |2.292298|2.607747|3.256791|0.062413|2.094328|1.861864|2.671075|2.809382|4.272964|4.081504|6.272698|6.930144|7.838415|13.623135|36.858105| |2.279613|2.625884|3.382111|0.065150|2.155422|1.939814|2.866856|3.103611|4.985113|4.982749|7.096837|7.797938|6.660679|7.848223|13.815905|36.858105| |2.637118|3.136378|4.075076|0.077968|2.518237|2.244461|3.595447|4.013581|6.785532|7.830809|11.100019|13.748505|7.863983|6.989864|8.103373|13.643060|36.858105| |2.553499|3.040305|4.216345|0.082192|2.595789|2.388120|3.913660|4.679015|9.295252|10.885251|10.042999|7.405986|4.858506|4.272833|4.720235|6.741529|10.885561|388.023441| |1.957744|2.214608|2.922577|0.056998|1.898700|1.747734|2.465739|2.677753|4.336505|4.042201|5.329148|4.980640|4.361341|4.982182|7.522725|12.633366|7.510820|41.633984|36.858105| |3.956570|4.744866|5.056647|0.092708|3.088369|2.527837|3.853643|3.777932|4.979782|4.491461|8.696209|7.508438|12.639216|7.547158|4.986529|4.361986|4.999208|26.637906|3.242485|36.858105| |2.835767|3.391311|5.400689|0.110403|3.276437|3.228587|5.471011|7.629328|18.630891|7.829407|7.231326|4.113108|3.193277|2.735626|2.750667|3.246578|4.157138|43.513809|3.003614|2.911616|36.858105| |2.466391|2.878662|4.379585|0.089233|2.734906|2.690025|4.165077|5.366058|11.520943|6.939615|6.458835|3.987315|3.086683|2.727673|2.838720|3.457253|4.349201|50.379583|3.331375|2.727930|16.012226|73.516695| |2.720380|3.184509|5.357662|0.112247|3.426145|3.623753|5.197536|6.355987|10.295749|5.007548|5.384157|3.182312|2.623858|2.284979|2.274266|2.593250|3.149278|29.414835|2.439309|2.487049|12.438134|14.360665|36.858105| |3.069143|3.628365|6.513769|0.139047|4.143163|4.531693|6.380998|7.449193|9.865197|4.746785|5.398760|3.125438|2.624663|2.256795|2.201057|2.458062|2.979500|26.311453|2.271737|2.559211|8.726171|10.436790|17.623585|0.500000| |2.357701|2.752639|4.531633|0.091614|3.087645|3.293765|4.281687|4.559275|7.369775|4.150426|4.611414|2.858677|2.397956|2.133380|2.150031|2.449088|2.894928|26.562753|2.353908|2.258934|7.565351|11.462135|12.355979|0.245589|36.858105| |2.117501|2.388391|3.898704|0.080797|2.742697|3.050321|3.421047|3.609573|5.380760|3.178739|3.687221|2.345428|2.025038|1.828944|1.842365|2.064227|2.370909|20.874808|2.011051|1.935343|5.117779|8.304940|7.920757|0.186401|12.462375|36.858105| |2.081742|2.303101|3.692877|0.078507|2.525148|2.775831|3.173606|3.569480|5.330099|3.148528|3.619803|2.309964|1.989354|1.802341|1.824131|2.052308|2.353138|20.969186|2.013227|1.893259|5.263200|8.896200|7.806970|0.173309|7.970659|12.477843|36.858105| |2.412288|2.698787|4.383244|0.094719|2.863375|3.091643|3.874814|4.724845|7.153718|3.926064|4.378597|2.702054|2.280347|2.028374|2.037665|2.309398|2.720326|24.887455|2.222780|2.166417|7.714785|11.825212|13.041702|0.251323|8.118482|8.081776|12.899684|53.358707| |2.541414|2.740214|4.403814|0.099724|2.833972|3.080272|3.645432|4.584476|6.218568|3.529856|4.113660|2.544078|2.189955|1.944046|1.928736|2.147509|2.507377|21.902100|2.047233|2.120872|5.653562|8.763039|7.168678|0.189305|4.912342|5.056775|7.052862|15.818234|388.023441| |3.031279|3.291094|5.275719|0.122734|3.190504|3.333922|4.390227|6.196906|7.865041|4.296907|5.003952|2.986432|2.537586|2.204299|2.157407|2.400593|2.870309|24.954421|2.232658|2.470405|6.494743|9.422337|6.911409|0.195913|4.472603|4.132280|4.990565|10.676444|93.894448|73.516695| |2.463589|2.597738|4.227991|0.097024|2.838014|3.234312|3.334440|3.880439|4.980851|2.918982|3.536425|2.214939|1.953671|1.743755|1.715934|1.877615|2.156962|18.134576|1.789292|1.928811|4.223444|6.583619|5.502927|0.161897|4.272259|4.796069|6.210933|10.226213|94.507102|13.755643|73.516695| 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|1.504855|1.551026|2.243129|0.048319|1.509709|1.561899|1.761306|2.019733|2.899299|1.991902|2.450578|1.693037|1.528471|1.450878|1.496245|1.644760|1.764403|14.463739|1.675908|1.448051|2.390421|4.517009|2.400017|0.061730|2.192989|2.289092|2.794795|3.899330|22.435802|5.081351|5.099678|4.448457|5.024732|7.565641|12.622980|7.546407|5.009239|36.858105| |17.589439|8.947471|7.537929|0.149080|4.605814|3.562374|4.170652|3.858667|4.229183|3.096113|4.968873|3.214369|3.365972|2.775426|2.363525|2.301766|2.621481|17.501481|1.962581|4.325372|2.575911|4.068792|2.430224|0.074406|2.135952|1.921459|1.895654|2.962463|16.215014|4.787753|3.902095|1.968224|1.908964|1.709853|1.592469|1.629292|1.799338|1.434474|0.500000| |17.583761|8.721244|9.210858|0.188916|6.359839|4.775980|4.462816|3.880315|4.132113|2.866608|4.374071|2.764491|2.776895|2.336471|2.054105|2.042942|2.329587|16.206552|1.780777|3.334548|2.578363|4.004341|2.544556|0.080251|2.244800|2.048304|1.997332|3.097267|17.024700|4.941127|4.226187|2.016654|1.910811|1.700106|1.598711|1.662062|1.858553|1.431446|0.302858|0.500000| |17.554562|8.796639|9.270458|0.219273|5.137390|4.195350|4.805824|4.724655|4.815199|3.320000|5.075725|3.121263|3.064333|2.534551|2.232982|2.246630|2.606347|18.303313|1.945560|3.619066|2.941821|4.538677|2.827049|0.088691|2.393858|2.168359|2.172762|3.473522|19.717868|6.021336|4.772795|2.326214|2.209553|1.946962|1.814579|1.881148|2.116020|1.609432|0.302685|0.300201|0.500000| |8.767707|17.623926|12.409363|0.183541|7.476820|4.710101|6.587611|4.888514|5.279031|3.829369|6.305658|3.849497|3.884673|3.077818|2.620000|2.597725|3.053592|20.559852|2.185832|4.920808|3.085177|4.737812|2.910413|0.090795|2.610050|2.263802|2.147315|3.350710|17.378665|5.059359|4.146010|2.048454|1.989734|1.754802|1.614545|1.648709|1.839489|1.443117|0.212080|0.207963|0.172186|0.500000| |8.829813|17.677743|12.345478|0.209097|5.647373|4.137685|7.679975|6.875584|6.875545|5.089946|9.016334|4.968432|4.762552|3.552865|3.004688|3.036335|3.732433|25.167578|2.497709|5.941371|3.732577|5.650632|3.327940|0.102687|2.831541|2.415360|2.357441|3.818294|20.168613|6.198830|4.640554|2.365380|2.323313|2.022516|1.832167|1.856678|2.081466|1.621762|0.214026|0.172155|0.211386|0.303147|0.500000| |6.823826|7.551122|12.377665|0.212915|17.657015|8.871488|5.622244|4.176162|4.457710|2.970974|4.379374|2.711677|2.633923|2.226200|1.996713|2.023303|2.326547|16.677216|1.782275|3.020383|2.817855|4.284003|2.902618|0.094674|2.633036|2.385680|2.232619|3.410587|17.989782|5.051744|4.538035|2.068983|1.940095|1.707794|1.602661|1.676094|1.895641|1.425997|0.145682|0.233953|0.154408|0.214906|0.148514|0.500000| |4.926391|6.650202|12.420621|0.183154|17.622464|8.761275|7.361983|4.681699|5.171917|3.414153|4.969410|3.024265|2.862926|2.401820|2.171693|2.230755|2.601041|18.888577|1.959802|3.183509|3.234737|4.848433|3.338209|0.109388|3.126102|2.728038|2.457876|3.736115|18.703660|5.180404|4.622106|2.131457|2.019111|1.763729|1.635787|1.697164|1.922317|1.451069|0.114205|0.142315|0.117448|0.208181|0.146175|0.302430|0.500000| |3.795015|4.440161|9.173655|0.184596|8.723600|17.593279|6.420151|4.880807|5.364138|3.212759|4.274234|2.581146|2.349467|2.020695|1.895793|2.003640|2.334903|18.147846|1.818264|2.472030|3.679811|5.345839|4.349082|0.157941|3.989642|3.668051|3.230965|4.890705|24.561348|6.498055|6.447111|2.620141|2.370283|2.026587|1.896692|2.021762|2.365981|1.648960|0.087569|0.108999|0.102725|0.116353|0.108273|0.172605|0.208159|0.500000| |4.543195|4.741044|9.290854|0.218973|8.792109|17.558155|5.213043|4.351723|4.605114|2.852475|3.908990|2.393504|2.232004|1.923322|1.784719|1.857951|2.141378|16.234949|1.680444|2.410517|3.108111|4.629419|3.498477|0.121205|3.086720|2.931416|2.758888|4.220143|23.018840|6.270385|6.210404|2.508613|2.248942|1.945918|1.847259|1.986918|2.316682|1.613889|0.100641|0.138928|0.126420|0.118724|0.110465|0.211948|0.172102|0.300518|0.500000| |3.797087|4.148425|7.540866|0.148636|8.942148|17.589449|4.614894|3.616821|4.089810|2.613011|3.605135|2.258682|2.131588|1.856500|1.724661|1.784459|2.033025|15.225624|1.619747|2.301012|2.782763|4.226649|3.110825|0.104001|2.944583|2.788266|2.513806|3.693322|19.072473|5.029919|5.061028|2.151545|1.968190|1.726794|1.639523|1.744031|1.996472|1.451321|0.088462|0.117695|0.099077|0.114340|0.096889|0.215479|0.211622|0.302924|0.302539|0.500000| |4.140806|5.646978|12.312149|0.208114|7.561415|6.878395|17.655614|8.802421|9.154148|5.051750|6.582767|3.643981|3.139913|2.593735|2.420944|2.615537|3.206250|25.571289|2.309598|3.225795|5.496253|7.378723|5.859063|0.213653|5.040198|3.967030|3.505392|5.699666|26.818597|7.623221|6.282037|2.848993|2.687177|2.252511|2.035306|2.108123|2.453159|1.758653|0.096952|0.108071|0.110850|0.145240|0.150063|0.148430|0.213431|0.236694|0.156249|0.146077|0.500000| |4.741244|7.529792|12.370606|0.183580|6.475303|4.868196|17.675228|8.781296|9.654362|6.471567|9.927461|5.060423|4.314463|3.340273|2.995402|3.190952|4.057060|29.904366|2.677269|4.540656|4.964146|7.082933|4.445319|0.139855|3.907217|3.096848|2.850903|4.604032|22.229761|6.534942|5.061071|2.519104|2.471077|2.112211|1.892663|1.918534|2.175855|1.660277|0.115049|0.116040|0.120519|0.203733|0.224510|0.142355|0.197967|0.141326|0.117235|0.112269|0.301115|0.500000| |5.149177|6.689370|9.779877|0.206109|4.616628|3.979889|8.840723|17.659598|12.638052|7.673998|10.906263|5.182069|4.235163|3.285504|2.991097|3.249390|4.214517|32.710086|2.741990|4.328049|5.911919|8.254901|4.834528|0.148491|3.670503|3.032140|3.069641|5.380829|28.832909|9.938805|6.159163|3.216644|3.169320|2.632071|2.313362|2.337918|2.690543|1.986277|0.124018|0.116252|0.154785|0.143708|0.241548|0.112429|0.117667|0.113421|0.109766|0.090728|0.173660|0.206455|0.500000| |4.208718|5.079987|9.241019|0.218045|4.811870|4.709734|8.803665|17.709494|12.512848|5.831035|7.031674|3.770994|3.149647|2.601955|2.459990|2.707102|3.372654|28.345097|2.405149|3.159003|7.398408|9.214937|7.238549|0.258955|4.761498|3.938982|4.029211|7.637265|41.653359|15.401477|8.709693|4.013752|3.709419|2.944617|2.598008|2.704348|3.263028|2.168556|0.098765|0.103749|0.127730|0.115849|0.150687|0.111632|0.119167|0.144705|0.132728|0.103513|0.214959|0.172992|0.305612|0.500000| |2.534850|2.837409|3.363207|0.063841|2.178067|1.891013|2.629490|2.663595|3.785651|3.433053|5.664119|5.693496|8.977740|17.713435|8.930396|5.630363|5.012580|24.482422|4.083643|6.995443|2.388547|4.212206|2.044296|0.056523|1.920155|1.669614|1.643951|2.495002|12.602926|3.546827|2.860674|1.655009|1.740630|1.614655|1.455368|1.406690|1.486655|1.351752|0.075278|0.062819|0.067058|0.081109|0.090427|0.059051|0.062747|0.052325|0.050395|0.048945|0.065260|0.082593|0.080512|0.064848|0.500000| |2.052423|2.291626|2.876895|0.055470|1.881449|1.688528|2.324310|2.425667|3.645591|3.335839|4.977918|4.982160|5.624515|8.918493|17.717629|8.972300|5.710041|27.447740|6.960934|4.088095|2.406629|4.442828|2.031465|0.054591|1.941811|1.687802|1.673278|2.511817|12.462676|3.441465|2.794357|1.677078|1.805606|1.696412|1.513088|1.437537|1.500811|1.417324|0.059000|0.051666|0.055602|0.064236|0.071923|0.050176|0.054149|0.047662|0.045088|0.043809|0.059318|0.071484|0.071192|0.060062|0.217627|0.500000| |1.925435|2.155452|2.865480|0.056596|1.851318|1.720592|2.411590|2.685964|4.377499|4.012699|5.122599|4.564327|3.917987|4.280650|5.871821|8.846993|6.663344|42.504119|17.538411|3.003379|3.097410|6.258563|2.495363|0.063922|2.376202|2.045232|2.085378|3.151018|15.264995|4.162907|3.300698|2.125992|2.406806|2.273495|1.951538|1.796148|1.857218|1.819638|0.053412|0.048595|0.053803|0.058293|0.067560|0.048260|0.052516|0.049825|0.046327|0.044147|0.062806|0.071336|0.076702|0.067890|0.099475|0.151747|0.500000| |1.899448|2.165859|2.907694|0.056468|1.908229|1.768252|2.485905|2.666975|4.391760|4.016670|5.126572|4.564136|3.915112|4.275799|5.864212|8.844765|6.669795|42.455276|17.538431|3.000806|3.110346|6.215063|2.537175|0.065007|2.508922|2.125509|2.102286|3.122716|14.708951|3.953785|3.217513|2.003061|2.220393|2.072558|1.799102|1.680806|1.754804|1.670446|0.052427|0.048347|0.052245|0.059720|0.067120|0.049406|0.055138|0.051526|0.046922|0.045648|0.065689|0.075136|0.074124|0.066688|0.099348|0.151500|0.301924|0.500000| |1.815077|2.026412|2.653508|0.051814|1.744656|1.607794|2.195731|2.348141|3.691807|3.327858|4.505705|4.150699|3.914284|4.719173|7.214335|8.872020|5.559965|31.311923|17.600480|3.000240|2.566581|4.982970|2.143143|0.055975|2.082520|1.809126|1.808992|2.686965|13.062613|3.536128|2.890339|1.797853|1.983416|1.883002|1.656055|1.546113|1.598430|1.558874|0.050946|0.046135|0.049959|0.055949|0.062847|0.045895|0.050039|0.046175|0.043022|0.041694|0.057359|0.066055|0.067041|0.059162|0.112957|0.220859|0.301809|0.301784|0.500000| |4.621702|5.359187|5.456073|0.102261|3.217845|2.630741|4.013150|4.077260|5.151170|4.516920|8.685306|6.666231|8.850330|5.884864|4.281604|3.916054|4.574052|25.846278|3.002314|17.537555|2.983002|4.913885|2.552612|0.073598|2.265973|1.955473|1.936775|3.052843|15.952610|4.736379|3.621804|2.004717|2.050797|1.845716|1.664853|1.643198|1.782282|1.509369|0.144039|0.103728|0.119494|0.144419|0.197610|0.088217|0.089254|0.070832|0.070872|0.065769|0.091432|0.125874|0.136983|0.095126|0.152324|0.099530|0.079581|0.076889|0.076870|0.500000| |3.529299|3.989611|4.315452|0.080171|2.741022|2.274342|3.204689|3.120118|4.124046|3.602266|6.413660|5.557765|8.879099|7.252858|4.734727|3.921757|4.170526|22.579204|3.003583|17.593209|2.501135|4.220660|2.179559|0.062151|2.007289|1.746178|1.709506|2.625717|13.488927|3.869343|3.099344|1.722996|1.769861|1.617907|1.470016|1.445461|1.550122|1.350405|0.110106|0.084866|0.089511|0.117231|0.129791|0.075914|0.078558|0.061399|0.060510|0.058415|0.076732|0.102299|0.097344|0.074743|0.222883|0.113349|0.076972|0.076898|0.079514|0.301858|0.500000| |4.304100|5.543214|5.772921|0.101587|3.552678|2.812945|4.388825|4.010430|5.169856|4.517814|8.702847|6.664846|8.846932|5.880010|4.277892|3.912567|4.571369|25.801526|2.999427|17.534491|2.991562|4.887238|2.595377|0.075224|2.378397|2.023920|1.948845|3.024669|15.310333|4.431862|3.510800|1.899205|1.930081|1.731778|1.565983|1.552435|1.690038|1.419877|0.127957|0.101594|0.105021|0.172230|0.188031|0.096026|0.104487|0.076012|0.073094|0.071115|0.101104|0.151380|0.123719|0.091862|0.152199|0.099446|0.076871|0.079432|0.076809|0.301307|0.301857|0.500000| |2.448364|2.912721|4.869430|0.095609|3.410490|3.627351|4.695305|4.574235|7.120133|4.106959|4.704407|2.907237|2.460264|2.176619|2.171210|2.446116|2.890988|25.590175|2.320369|2.340848|6.345590|9.421806|8.700246|0.221545|17.578504|8.661436|5.666940|7.898233|28.949422|6.926092|6.602253|3.199399|3.066937|2.553524|2.278213|2.336761|2.712391|1.953846|0.061411|0.065195|0.067857|0.078068|0.082110|0.079401|0.098640|0.124860|0.091150|0.090606|0.162767|0.120930|0.101404|0.127617|0.054570|0.054391|0.063950|0.068951|0.057286|0.064560|0.057730|0.069675|0.500000| |2.186610|2.543639|4.037262|0.080978|2.729923|2.828194|3.779938|4.097506|7.051233|4.234744|4.604369|2.931232|2.433565|2.193845|2.254038|2.615130|3.074076|29.269368|2.566006|2.241368|7.446504|13.294341|8.830650|0.175472|17.606912|8.828520|6.902487|9.307755|30.824643|7.136510|6.535654|3.655527|3.698717|3.044162|2.625302|2.616745|2.998438|2.231264|0.055838|0.057479|0.061538|0.067523|0.073826|0.065807|0.077511|0.091961|0.073974|0.071153|0.117633|0.099813|0.094860|0.114669|0.054509|0.056638|0.072231|0.077260|0.062537|0.061897|0.055468|0.064918|0.301108|0.500000| |2.190379|2.455609|4.090214|0.085384|2.955538|3.425395|3.501455|3.569303|5.021636|2.961700|3.526814|2.231951|1.953346|1.756673|1.748566|1.931898|2.213133|18.920014|1.862110|1.898979|4.471964|6.998594|6.840524|0.188797|8.804244|17.555314|8.844611|9.194283|34.622817|7.140566|9.008484|3.729615|3.281904|2.733750|2.541007|2.738485|3.296680|2.142472|0.054714|0.059575|0.062225|0.064649|0.067727|0.071003|0.080933|0.117368|0.091465|0.087359|0.115688|0.086459|0.083151|0.110133|0.044851|0.044557|0.052313|0.054253|0.046862|0.053504|0.047716|0.055555|0.215178|0.173679|0.500000| |1.908100|2.138519|3.416294|0.070066|2.440429|2.684830|2.948830|3.051953|4.577427|2.829427|3.323354|2.163166|1.885530|1.725432|1.751668|1.959097|2.212674|19.244777|1.935233|1.794557|4.205542|7.207731|5.652642|0.136694|8.711648|17.599920|8.724193|7.879890|28.643794|6.009795|6.899997|3.471234|3.251885|2.780727|2.553199|2.660668|3.067571|2.185037|0.048587|0.051502|0.053907|0.057030|0.060036|0.059740|0.068289|0.087879|0.071343|0.069702|0.093625|0.076138|0.072940|0.090103|0.043933|0.044928|0.054523|0.057292|0.048664|0.049977|0.045349|0.052049|0.196885|0.216703|0.301481|0.500000| |2.005767|2.177476|3.482372|0.075030|2.415415|2.705861|2.889353|3.205480|4.573259|2.752475|3.248007|2.087884|1.826963|1.661354|1.672119|1.857764|2.106866|18.231783|1.820241|1.759402|4.227872|7.097065|5.877835|0.146533|5.737401|8.724037|17.636167|12.253092|49.684005|8.345351|12.911586|5.909798|4.709203|3.807112|3.597057|4.063342|5.243621|2.867230|0.050689|0.053945|0.058486|0.056304|0.061258|0.059957|0.064576|0.086594|0.076086|0.068665|0.088159|0.071763|0.078066|0.101973|0.042436|0.042850|0.052371|0.052391|0.045869|0.050256|0.044430|0.050241|0.126474|0.138939|0.222113|0.193569|0.500000| |1.915751|2.111937|3.303903|0.069607|2.253272|2.423311|2.830078|3.194198|4.919162|3.023031|3.458641|2.252648|1.938275|1.777316|1.822645|2.066979|2.343495|21.104359|2.065104|1.821637|4.865223|8.996200|6.207093|0.136066|6.656273|8.754727|17.604280|12.367657|41.000832|7.716065|8.731306|5.590596|5.303449|4.272010|3.750461|3.857884|4.571221|3.013789|0.049027|0.050877|0.055409|0.055048|0.060611|0.055961|0.061462|0.076804|0.066722|0.061585|0.084998|0.072319|0.078070|0.097151|0.044977|0.046671|0.059921|0.060237|0.051527|0.051519|0.045889|0.051677|0.135634|0.187703|0.174338|0.218413|0.300717|0.500000| |2.158480|2.344406|3.498613|0.075309|2.230651|2.272160|2.963368|3.764600|5.970082|3.821239|4.260833|2.777207|2.334257|2.127612|2.197312|2.539568|2.932687|27.313126|2.519604|2.148251|5.655587|11.580801|5.124070|0.118275|4.070463|3.828404|5.028260|8.921592|47.207945|11.233635|8.025029|8.871539|17.737017|8.933403|5.620143|4.948323|5.622625|4.096996|0.055960|0.055413|0.064359|0.059301|0.070287|0.056452|0.059606|0.068705|0.064143|0.056457|0.081449|0.076061|0.098987|0.114085|0.053086|0.055587|0.076756|0.070384|0.061778|0.062419|0.053542|0.058789|0.093762|0.117311|0.093470|0.093852|0.123844|0.149517|0.500000| |1.736036|1.832990|2.653373|0.056735|1.741751|1.772172|2.154118|2.564442|3.873001|2.674706|3.170557|2.181671|1.910034|1.802155|1.886257|2.137308|2.332433|20.121852|2.196841|1.764175|3.310847|6.649182|3.127096|0.077014|2.776060|2.756191|3.428454|5.097476|27.937303|6.551895|5.698524|5.668334|8.979032|17.715224|8.887274|5.650419|4.949238|7.032870|0.045896|0.045105|0.051501|0.047125|0.054357|0.045104|0.046784|0.052498|0.050247|0.045093|0.059165|0.056641|0.069852|0.075598|0.045776|0.048994|0.067883|0.060834|0.055446|0.050997|0.045051|0.047755|0.067086|0.080880|0.069155|0.071822|0.091089|0.105878|0.216154|0.500000| |1.628994|1.663406|2.460043|0.053942|1.672790|1.778625|1.902725|2.166898|2.999219|1.985950|2.456779|1.656009|1.498793|1.399485|1.415927|1.541843|1.681857|13.746705|1.534326|1.449108|2.474611|4.450617|2.640711|0.069792|2.374179|2.587602|3.246902|4.464971|27.969063|5.895919|6.946596|5.672207|4.947482|5.645531|8.918496|17.726549|8.949396|6.982037|0.042485|0.043528|0.048810|0.042675|0.047506|0.043810|0.044044|0.052346|0.051946|0.045840|0.053486|0.048749|0.058365|0.066824|0.036331|0.036990|0.045385|0.042663|0.039548|0.042215|0.037401|0.039974|0.058674|0.064477|0.069386|0.067248|0.099551|0.092192|0.107457|0.124077|0.500000| |1.964677|2.019535|3.091690|0.069229|2.093787|2.289494|2.396195|2.761490|3.715696|2.343702|2.873101|1.876479|1.679945|1.536833|1.534362|1.674247|1.870307|15.502589|1.632646|1.641262|3.113499|5.322943|3.557875|0.096321|3.045740|3.415239|4.509467|6.436207|47.599377|8.666054|13.656259|8.928190|5.625801|4.952661|5.623802|8.886727|17.758699|4.082172|0.050137|0.052628|0.059400|0.051134|0.057122|0.054042|0.054287|0.068480|0.067923|0.058030|0.068348|0.059610|0.072505|0.089319|0.039685|0.039596|0.047762|0.045589|0.041658|0.048069|0.041867|0.045828|0.074186|0.079015|0.094195|0.084338|0.148505|0.116973|0.123883|0.107516|0.215203|0.500000| |1.506176|1.545244|2.210989|0.047605|1.480034|1.517314|1.728512|1.989137|2.849813|1.984453|2.458114|1.710821|1.550789|1.477697|1.525662|1.672497|1.784624|14.477473|1.705068|1.467093|2.312112|4.374886|2.273724|0.058807|2.062932|2.112976|2.531877|3.610875|20.872779|4.904345|4.708355|3.992500|4.610089|6.727766|8.870157|5.899355|4.305977|17.554373|0.040104|0.039641|0.044848|0.039891|0.045097|0.039001|0.039495|0.044209|0.043578|0.039130|0.047498|0.045459|0.055021|0.058889|0.038292|0.040227|0.051734|0.046806|0.044183|0.042611|0.038090|0.039700|0.051482|0.058406|0.055131|0.055869|0.071236|0.075006|0.108425|0.190844|0.152567|0.099617|0.500000| |1.440440|1.474345|2.133854|0.046057|1.448548|1.507667|1.658937|1.880137|2.662021|1.824371|2.265580|1.564529|1.423653|1.351791|1.386568|1.511758|1.617535|13.104095|1.533575|1.359685|2.174141|4.045064|2.216742|0.057767|2.041094|2.157553|2.605916|3.581200|20.777329|4.678297|4.897516|3.974925|4.169319|5.569269|8.838727|7.240701|4.744114|17.597927|0.038130|0.038293|0.042783|0.038174|0.042520|0.038157|0.038599|0.044073|0.043442|0.039108|0.046172|0.043371|0.051339|0.056235|0.035164|0.036577|0.045881|0.042490|0.039830|0.039376|0.035352|0.037145|0.050920|0.057136|0.056814|0.057444|0.075728|0.076964|0.095934|0.140758|0.221895|0.112755|0.301588|0.500000| 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