Version2.0 2020-01-08T22:14:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)Cn4c5ccccc5nn4)C C20831547 RHF 6-31G(d) (6D,7F) CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)Cn4c5ccccc5nn4)C C01[X(C26H33N8O1S1)] 201 C1 610 O=C(NC1CC(C)(C)[NH2+]C(C1)(C)C)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2 O=C(NC1CC(C)(C)[NH2+]C(C1)(C)C)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2 CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSc2nnc(Cn3nnc4ccccc34)n2c5ccccc5 InChIKey=UISREPJIOUXSEX-UHFFFAOYSA-O InChI=1S/C26H32N8OS/c1-25(2)14-18(15-26(3,4)31-25)27-23(35)17-36-24-30-29-22(34(24)19-10-6-5-7-11-19)16-33-21-13-9-8-12-20(21)28-32-33/h5-13,18,31H,14-17H2,1-4H3,(H,27,35)/p+1 InChI=1/C26H32N8OS/c1-25(2)14-18(15-26(3,4)31-25)27-23(35)17-36-24-30-29-22(34(24)19-10-6-5-7-11-19)16-33-21-13-9-8-12-20(21)28-32-33/h5-13,18,31H,14-17H2,1-4H3,(H,27,35)/p+1/fC26H33N8OS/h27,31H/q+1 CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)Cn4c5ccccc5nn4)C C01[X(C26H33N8O1S1)] 201 C01 610 O=C(NC1CC(C)(C)[NH2+]C(C1)(C)C)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2 O=C(NC1CC(C)(C)[NH2]C(C1)(C)C)CS[C@H]1NN=C(N1c1ccccc1)CN1NNc2c1cccc2 CC1(C)CC(CC(C)(C)[NH2]1)NC(=O)CS[C@H]2NN=C(CN3NNc4ccccc34)N2c5ccccc5 InChIKey=KAPZLTXHWMGHNJ-DEOSSOPVSA-N InChI=1S/C26H37N8OS/c1-25(2)14-18(15-26(3,4)31-25)27-23(35)17-36-24-30-29-22(34(24)19-10-6-5-7-11-19)16-33-21-13-9-8-12-20(21)28-32-33/h5-13,18,24,28,30,32H,14-17,31H2,1-4H3,(H,27,35)/t24-/m0/s1 InChI=1/C26H37N8OS/c1-25(2)14-18(15-26(3,4)31-25)27-23(35)17-36-24-30-29-22(34(24)19-10-6-5-7-11-19)16-33-21-13-9-8-12-20(21)28-32-33/h5-13,18,24,28,30,32H,14-17,31H2,1-4H3,(H,27,35)/t24-/m0/s1/f/h27H 3880.8171852230 -1911.5222478 1-A 33583.3375 134 476 610 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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 63 64 65 66 67 68 69 6 6 6 6 6 6 7 1 1 6 6 7 6 8 6 16 6 7 7 6 7 6 6 6 6 6 6 6 7 6 6 6 6 6 6 7 7 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 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 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 6205.8683 56522.6118 58368.7477 0.99999 -0.00438 0.00185 0.00442 0.99978 -0.02029 -0.00176 0.02030 0.99979 1 0.01396 0.00153 0.00148 0.29081 0.03193 0.03092 9.73 15.15 16.57 31.97 38.80 44.31 68.76 76.57 85.73 91.88 111.77 125.48 160.16 174.39 194.91 205.88 224.46 237.88 274.60 287.29 311.12 360.77 366.97 373.39 388.87 395.20 405.15 416.25 439.29 454.95 464.79 480.14 488.67 527.11 529.64 535.50 586.15 604.76 656.77 659.84 664.16 667.54 686.21 692.21 715.02 731.17 737.14 760.89 780.77 801.63 864.28 867.62 895.38 907.64 939.25 956.83 973.45 1073.71 1078.89 1094.69 1110.74 1122.51 1129.53 1151.55 1187.08 1199.88 1212.65 1223.08 1236.57 1244.37 1276.20 1301.82 1329.51 1337.94 1348.63 1377.27 1382.75 1394.55 1427.71 1444.26 1468.01 1470.86 1489.01 1498.98 1519.01 1522.29 1554.02 1556.26 1558.86 1572.62 1579.82 1593.61 1597.98 1608.76 1609.87 1611.98 1614.44 1637.26 1651.45 1691.21 1698.26 1719.89 1732.03 1738.65 1751.38 1755.22 1757.41 1770.92 1817.96 1835.21 1861.35 1865.17 1877.14 1881.62 1882.20 1891.19 1923.53 1947.98 1952.86 1965.45 2017.24 2035.06 2040.89 2055.82 2080.31 2096.68 2106.76 2114.29 2119.12 2130.15 2165.15 2200.22 2203.65 2206.58 2243.74 2254.12 2263.68 2264.31 2269.86 2278.81 2295.62 2299.83 2302.22 2303.18 2328.76 2329.31 2335.25 2339.62 2348.72 2358.59 2362.81 2363.97 2368.34 2375.45 2384.48 2386.04 2395.29 2395.69 2409.02 2425.20 2441.51 2564.59 2573.26 2575.52 2598.88 2614.17 2619.77 2823.03 4598.31 4611.87 4620.45 4622.34 4642.83 4649.71 4691.23 4695.39 4710.85 4711.56 4716.15 4742.98 4745.58 4748.53 4759.17 4763.35 4765.57 4766.49 4768.73 4806.89 4843.88 4847.30 4848.18 4861.11 4867.77 4875.65 4883.43 4888.15 4897.87 4902.97 5281.99 5375.25 5563.33 0.621360 0.653045 0.653990 0.551945 -1910.900888 -1910.869202 -1910.868258 -1910.970303 3.422606D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2020 DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2c3ccccc3)Cn4c5ccccc5nn4)C C20831547 RHF 6-31G(d) (6D,10F) C1 505.249805 |X|Y|Z| 48.956451 37.558282 172.555616 68.204796 31 6 7 16 22 8 1 |36.858105| |12.449150|36.858105| |7.452754|12.417741|36.858105| |5.935939|7.431876|12.465284|36.858105| |4.936525|6.321633|7.593456|12.424886|36.858105| |5.657034|7.065984|6.299805|7.417409|12.441692|36.858105| |7.576271|12.388448|7.676786|6.619282|7.699317|12.351493|53.358707| |7.304145|9.131157|5.688553|5.044915|5.697078|9.108036|25.686457|0.500000| |5.713588|9.247308|6.902284|5.755150|6.930486|9.242024|25.711848|0.330863|0.500000| |4.046610|4.884857|4.439884|4.890102|7.541591|12.443485|10.616082|0.196832|0.217025|36.858105| |5.704545|5.654808|4.929658|5.932280|7.451363|12.450833|10.288734|0.202173|0.158576|7.626667|36.858105| |4.260430|4.990206|7.829821|13.192695|7.744713|4.966594|6.126055|0.102244|0.117810|3.829939|4.245774|53.358707| |3.553691|3.844568|5.165382|7.815659|5.982048|4.176103|4.930551|0.086158|0.094212|3.373292|3.884080|19.026212|36.858105| |3.573978|3.684824|4.575402|6.975942|5.867777|4.326450|4.876321|0.086948|0.090785|3.464876|4.338631|11.598490|15.901622|73.516695| |2.845955|3.067767|3.969056|5.045836|4.238795|3.198347|3.931702|0.070338|0.077444|2.749557|2.977776|10.738410|12.600246|14.105498|36.858105| |2.408666|2.489032|2.998838|3.688129|3.300224|2.668815|3.252915|0.059926|0.063593|2.357003|2.615882|6.500048|6.971373|11.646765|10.515273|388.023441| |2.067254|2.157125|2.572545|2.969918|2.694384|2.234066|2.805388|0.052075|0.055866|2.023609|2.152952|5.121842|4.707326|7.472757|7.178530|76.992931|36.858105| |2.042205|2.168944|2.614565|2.937230|2.658697|2.196598|2.803694|0.051818|0.056541|2.001758|2.071913|5.129622|4.406493|6.664278|6.775225|49.805333|14.848592|53.358707| |1.792447|1.889498|2.222541|2.432685|2.237757|1.900115|2.450779|0.045815|0.049635|1.757066|1.804498|4.054959|3.352548|5.284233|4.566105|35.162906|8.934628|19.014425|53.358707| |1.700014|1.765906|2.045286|2.255703|2.089729|1.797144|2.302735|0.043369|0.046315|1.665068|1.735451|3.679389|3.102426|5.078281|4.066843|35.211801|8.910346|12.137880|20.292498|36.858105| |1.825108|1.880455|2.184174|2.471044|2.280493|1.946571|2.458491|0.046221|0.048979|1.786733|1.901602|4.060123|3.587991|5.995043|4.783733|49.334434|14.021677|11.905683|11.913417|13.910702|53.358707| |1.736016|1.761192|2.006251|2.277247|2.125801|1.847793|2.319318|0.044003|0.045895|1.702098|1.841239|3.622301|3.207415|5.641368|3.944405|42.168025|7.599521|7.276844|7.269171|7.535666|18.107567|36.858105| |1.723393|1.720216|1.941668|2.181098|2.009396|1.771490|2.243580|0.042825|0.044106|1.619534|1.788808|3.408948|2.980688|5.326977|3.513441|35.632792|5.659186|5.867268|5.855653|5.609523|10.637060|13.750025|36.858105| |1.615264|1.596824|1.771250|1.983383|1.852151|1.661009|2.098897|0.040404|0.041151|1.528876|1.699670|3.019635|2.605307|4.781276|2.926062|28.302912|4.118681|4.514307|4.506580|4.091776|7.005601|7.971147|13.759452|36.858105| |1.534852|1.524287|1.678388|1.888121|1.799811|1.621786|2.031343|0.039207|0.039931|1.510921|1.662038|2.847939|2.450385|4.546310|2.714942|25.971470|3.709038|4.122094|4.116621|3.689552|6.187739|6.905988|7.932072|13.742047|36.858105| |1.544408|1.553263|1.720401|1.950379|1.882788|1.680346|2.087881|0.040119|0.041261|1.577811|1.704415|2.970344|2.572985|4.738948|2.901051|28.207527|4.125072|4.533374|4.528874|4.105758|7.009490|7.960399|6.854042|7.927322|13.748269|36.858105| |1.637952|1.666065|1.875229|2.137548|2.049046|1.795232|2.230258|0.042489|0.044245|1.678374|1.794496|3.338796|2.933024|5.269497|3.471286|35.462361|5.680197|5.912297|5.907836|5.650166|10.665560|13.748289|7.901237|6.866109|7.941656|13.754525|36.858105| |1.504007|1.552800|1.765449|1.916767|1.796223|1.575772|2.032754|0.038634|0.040974|1.475396|1.530568|3.036065|2.497733|4.173766|3.083140|25.823307|5.292773|7.233861|10.591984|12.734098|10.166855|6.059215|4.991773|3.920338|3.601304|3.943948|5.043993|36.858105| |1.461338|1.489680|1.679474|1.810943|1.683140|1.493033|1.937357|0.037021|0.038841|1.390942|1.465830|2.829970|2.319685|3.929902|2.786357|23.475217|4.444114|5.810914|7.484989|7.764118|8.287331|5.741130|5.535097|4.389133|3.810821|3.873441|4.593871|13.161098|53.358707| |1.342030|1.359408|1.512820|1.624458|1.522593|1.367574|1.776046|0.034159|0.035577|1.281407|1.352268|2.493598|2.029021|3.492064|2.363499|19.781860|3.475036|4.490738|5.414775|5.127997|6.140286|4.729954|4.848428|4.292215|3.828549|3.765382|4.123843|7.512234|19.088633|36.858105| |1.245257|1.262619|1.393714|1.497008|1.421601|1.285313|1.664137|0.032120|0.033404|1.215263|1.272810|2.274754|1.843025|3.198995|2.114063|17.580217|2.989768|3.867943|4.559438|4.164481|5.134357|4.071798|4.030469|3.837658|3.697438|3.723648|3.899799|5.842229|10.188180|13.593122|36.858105| |1.166505|1.175791|1.286471|1.374216|1.307183|1.193201|1.550094|0.030066|0.031074|1.130155|1.188047|2.063523|1.659761|2.903218|1.867815|15.344951|2.510377|3.248489|3.707702|3.244712|4.145531|3.328329|3.442581|3.461753|3.359686|3.248733|3.232894|4.149223|7.036627|8.098660|13.909356|36.858105| |1.163355|1.165170|1.271220|1.350583|1.275651|1.169305|1.527090|0.029682|0.030532|1.102349|1.168825|2.019023|1.617364|2.833717|1.805571|14.725970|2.370733|3.067726|3.447954|2.963173|3.842381|3.074448|3.339378|3.395054|3.160932|2.930435|2.893678|3.620698|6.384711|6.945301|7.813937|13.465958|36.858105| |1.238591|1.237600|1.356811|1.438907|1.344818|1.228324|1.609604|0.031221|0.032116|1.149560|1.227504|2.162238|1.734217|3.023915|1.947840|15.893535|2.580981|3.339016|3.759883|3.239111|4.191326|3.310911|3.730324|3.669268|3.226329|2.941093|2.970986|3.904421|7.415189|7.853971|6.677815|7.859274|13.924145|36.858105| |1.338191|1.344316|1.489854|1.587841|1.475397|1.333451|1.743460|0.033629|0.034808|1.242781|1.325418|2.419985|1.956361|3.378164|2.246022|18.552495|3.141781|4.061338|4.711712|4.216270|5.290842|4.092376|4.584749|4.172202|3.547951|3.302140|3.494155|5.321791|12.043961|13.770334|7.819815|6.952675|8.061936|13.604100|36.858105| |1.450693|1.456557|1.628262|1.730845|1.585447|1.424069|1.870266|0.035941|0.037276|1.315434|1.411753|2.663414|2.153940|3.679477|2.502798|20.516084|3.533421|4.606084|5.334761|4.692516|5.853306|4.292185|4.923658|4.166041|3.392222|3.162344|3.456007|5.466408|12.205374|8.545002|5.340976|4.658868|5.161179|7.558755|13.885347|53.358707| |1.534767|1.555591|1.760175|1.884121|1.722301|1.528008|1.998591|0.038167|0.039932|1.409590|1.502719|2.950966|2.407301|4.053768|2.887412|23.891731|4.430656|5.846381|7.182901|6.684328|7.677629|5.176219|5.520749|4.279304|3.517846|3.422707|3.964675|7.876000|19.437268|8.655385|5.310250|4.253628|4.278167|5.440240|8.936775|20.686609|53.358707| |7.627633|12.439561|7.545977|4.899672|4.451736|4.880228|10.617353|0.196869|0.216734|3.987977|4.041444|5.242589|3.070954|5.153034|2.606803|15.264621|1.925550|2.676006|2.372568|1.622375|2.312667|1.586841|1.552137|1.443169|1.377994|1.402717|1.502082|1.442989|1.887464|1.270038|1.182199|1.104636|1.096584|1.163514|1.258934|1.854051|1.972399|36.858105| |17.595824|8.931605|6.676241|5.116241|4.095053|4.362889|7.545149|0.148274|0.128239|3.328396|4.352636|5.432259|3.357610|5.886320|2.769455|16.714258|2.047461|2.767988|2.442601|1.699504|2.469244|1.720703|1.721896|1.609243|1.516319|1.516174|1.609042|1.507347|2.005927|1.352736|1.249512|1.172410|1.174928|1.256764|1.357426|2.014286|2.124097|7.172862|0.500000| |17.551882|8.759155|5.447998|4.621743|4.236403|5.214723|9.576286|0.222784|0.150157|3.976591|5.530152|4.748775|3.012401|5.466103|2.473255|15.264406|1.861494|2.499379|2.219164|1.555342|2.264688|1.595464|1.586396|1.500818|1.435105|1.442383|1.517726|1.389324|1.841477|1.251174|1.167590|1.098763|1.096233|1.162375|1.248239|1.830244|1.925915|6.857175|0.303083|0.500000| |17.666516|8.665628|6.848687|6.558960|5.289212|5.891218|8.974902|0.172572|0.138435|4.065589|6.681877|6.277539|3.979695|7.414765|3.081843|18.768549|2.206862|2.920431|2.543999|1.785788|2.644311|1.861495|1.854198|1.741472|1.653146|1.659008|1.755415|1.571796|2.082416|1.404276|1.301371|1.217897|1.214484|1.294109|1.400044|2.066394|2.187001|5.498480|0.303843|0.301219|0.500000| |5.490368|8.856118|17.500504|8.872543|6.909425|5.601235|9.248324|0.141998|0.197645|4.351833|4.194861|9.701566|4.727151|7.202334|3.864241|20.447640|2.541382|3.596959|3.068507|2.046908|2.932110|1.956084|1.873019|1.701756|1.619213|1.672781|1.834648|1.768668|2.269359|1.498012|1.383023|1.273121|1.253082|1.334087|1.467489|2.178720|2.366642|7.273874|0.141872|0.123007|0.138366|0.500000| |7.074660|8.937514|17.576084|8.828783|5.513630|4.744180|7.596534|0.127039|0.141500|3.562137|4.100968|9.726949|4.980434|7.737898|3.986118|21.506519|2.626523|3.646953|3.107772|2.097870|3.039226|2.043572|2.000445|1.815144|1.699543|1.726616|1.883575|1.809869|2.363329|1.559713|1.426165|1.317549|1.309516|1.407288|1.547997|2.323883|2.507231|6.705854|0.205882|0.141930|0.181503|0.303385|0.500000| |6.535538|6.749410|8.854095|17.647247|8.871357|6.761342|8.048975|0.134374|0.135695|4.451988|6.556401|12.778201|7.486746|13.907929|4.767307|26.558195|2.923725|3.830971|3.195774|2.216838|3.352455|2.313444|2.251725|2.065291|1.957524|1.998575|2.166019|1.891845|2.462458|1.631424|1.501671|1.384537|1.367265|1.459742|1.605145|2.382756|2.574184|4.447486|0.154558|0.138719|0.231935|0.173995|0.212928|0.500000| |4.205231|5.629039|6.926731|8.880485|17.511333|8.842871|9.275769|0.142204|0.198628|7.239512|5.482920|9.632129|5.348193|8.695944|4.120273|22.363640|2.662113|3.661966|3.091753|2.093007|3.061155|2.069156|1.935305|1.774916|1.729892|1.824239|2.000197|1.800696|2.274963|1.508033|1.411051|1.293795|1.257648|1.322774|1.453785|2.122938|2.316774|4.371825|0.100690|0.102556|0.118533|0.207478|0.141620|0.174406|0.500000| |4.106430|4.758102|5.528378|8.859403|17.603762|8.938486|7.604684|0.127006|0.141817|6.682381|7.062821|9.645697|6.498005|12.415546|4.512877|25.851391|2.869526|3.769981|3.153525|2.186628|3.299632|2.280708|2.136910|1.976010|1.937792|2.043839|2.224032|1.871051|2.376788|1.580532|1.480480|1.357994|1.319449|1.386508|1.522863|2.216444|2.413253|3.570313|0.097210|0.100756|0.126772|0.141673|0.123689|0.214514|0.303114|0.500000| |3.478177|3.996242|3.842858|4.477001|6.880903|8.876174|7.627382|0.143890|0.152930|17.599524|6.926964|5.026950|3.404526|6.364613|2.791159|17.362786|2.078222|2.771756|2.431381|1.703117|2.503631|1.763155|1.666909|1.579594|1.574652|1.655498|1.757314|1.508429|1.928632|1.307204|1.244662|1.155991|1.123084|1.167025|1.261775|1.809364|1.941584|3.301610|0.081403|0.094313|0.100281|0.104449|0.088275|0.115808|0.181874|0.198266|0.500000| |3.909900|4.493751|3.850298|4.036754|5.473812|8.739787|9.563194|0.208429|0.191899|17.548042|7.009018|4.384954|2.885714|5.311071|2.400957|14.959773|1.825609|2.454425|2.179443|1.526211|2.221022|1.566318|1.501815|1.428519|1.413254|1.467061|1.547044|1.365045|1.762686|1.200404|1.141685|1.067310|1.043872|1.086896|1.168603|1.679020|1.787934|3.837702|0.089410|0.112386|0.107344|0.103808|0.088654|0.106278|0.144518|0.138436|0.302413|0.500000| |3.704065|4.695504|4.412883|4.627674|6.874489|8.727342|9.685515|0.172840|0.235641|17.545989|5.504832|5.136736|3.253105|5.727022|2.720878|16.321859|2.009310|2.745777|2.415945|1.666809|2.409346|1.669683|1.579537|1.482954|1.464503|1.536006|1.644465|1.477716|1.885780|1.273265|1.207936|1.121013|1.091200|1.137277|1.231641|1.774942|1.907989|4.068592|0.087091|0.099971|0.100296|0.128113|0.097997|0.111864|0.217590|0.163196|0.302764|0.299838|0.500000| |6.645342|5.870210|5.281733|6.567002|6.860147|8.662807|8.935478|0.171528|0.138105|5.498478|17.668258|6.274594|4.273240|8.734289|3.191430|19.986629|2.274787|2.953947|2.558901|1.813667|2.725668|1.943677|1.907185|1.808832|1.751806|1.780595|1.874220|1.592506|2.089138|1.413082|1.322219|1.234297|1.219478|1.287329|1.392214|2.029882|2.157667|4.051676|0.139577|0.168337|0.252067|0.118296|0.126554|0.233296|0.138462|0.182088|0.142516|0.140867|0.122072|0.500000| |5.546658|5.219631|4.234893|4.623725|5.448742|8.754605|9.562046|0.222004|0.149990|6.846831|17.547527|4.740504|3.198318|6.223882|2.555278|16.237344|1.920999|2.527823|2.231291|1.581433|2.339744|1.672700|1.635261|1.565277|1.533008|1.564226|1.634163|1.409487|1.846517|1.259366|1.189417|1.116126|1.100856|1.153889|1.238618|1.790097|1.893535|3.973417|0.117775|0.165883|0.169973|0.102396|0.100792|0.139170|0.122857|0.141671|0.166940|0.206710|0.140383|0.300820|0.500000| |4.350229|4.361606|4.088767|5.106847|6.664558|8.941987|7.537239|0.148004|0.128264|7.181566|17.599933|5.400237|3.832279|7.885078|2.969895|19.071579|2.185036|2.831267|2.467813|1.756567|2.638575|1.893888|1.829335|1.749109|1.728438|1.783090|1.868598|1.550278|2.014808|1.368946|1.294641|1.207654|1.183392|1.237509|1.335295|1.924665|2.050285|3.325770|0.098207|0.117472|0.139932|0.100431|0.097018|0.154837|0.141508|0.204877|0.215336|0.180434|0.143914|0.304593|0.302822|0.500000| |3.861005|4.661314|7.386586|8.970557|6.264178|4.313786|5.634021|0.094737|0.113129|3.502454|3.614668|26.043686|9.314760|10.872673|7.544443|31.541599|3.775764|5.417433|4.273644|2.772117|4.053701|2.597140|2.428029|2.132637|2.006402|2.099799|2.380110|2.282173|2.871820|1.846708|1.679872|1.518793|1.484202|1.591737|1.788497|2.690298|3.000518|3.841956|0.103327|0.089087|0.110852|0.215507|0.195986|0.183408|0.180029|0.155310|0.092926|0.082735|0.099415|0.106123|0.085236|0.093830|0.500000| |2.648296|2.930368|3.757716|4.650692|4.189810|3.138564|3.847299|0.068665|0.077476|2.782511|2.840753|9.498689|8.920192|11.064447|17.600654|56.336979|6.741184|9.689294|6.487700|4.080631|6.238334|3.705867|3.201051|2.693866|2.555987|2.793150|3.373170|3.100642|3.702139|2.307040|2.087799|1.835318|1.755436|1.875122|2.159426|3.232707|3.750111|2.536352|0.071068|0.064706|0.078149|0.106189|0.101925|0.116524|0.119277|0.124036|0.078989|0.066976|0.078049|0.082194|0.068099|0.079248|0.203328|0.500000| |2.839883|3.049107|3.989719|4.713675|3.796062|2.954931|3.779328|0.067884|0.074719|2.534302|2.747713|9.785384|8.890098|10.814539|17.618207|56.428149|6.889751|9.809683|6.610227|4.175747|6.392319|3.778272|3.468498|2.851628|2.586302|2.708816|3.220394|3.159896|3.936868|2.425220|2.135518|1.887794|1.841569|2.010897|2.334453|3.617884|4.198966|2.642849|0.078677|0.068145|0.084191|0.108550|0.116746|0.123785|0.103485|0.107074|0.070154|0.062266|0.070193|0.082355|0.066568|0.074627|0.211969|0.304101|0.500000| |1.777487|1.767969|2.005408|2.228585|2.016843|1.777457|2.276056|0.043397|0.044695|1.611845|1.790289|3.499510|3.027511|5.322530|3.587378|34.689346|5.608429|6.034434|6.026457|5.572573|9.790216|8.931907|17.744673|8.883115|5.635708|4.944433|5.637984|4.891558|7.784591|4.833087|3.820258|3.306800|3.324394|3.887817|4.898081|7.892837|8.852881|1.600024|0.049792|0.045243|0.053007|0.053612|0.058135|0.064014|0.053918|0.058875|0.045696|0.041558|0.043738|0.053354|0.045522|0.050339|0.069700|0.089197|0.102210|0.500000| |1.583244|1.550239|1.706018|1.891778|1.757633|1.592656|2.027367|0.039213|0.039640|1.462386|1.640584|2.844307|2.419311|4.455408|2.659872|24.617316|3.509693|3.979515|3.973184|3.490271|5.678930|5.663767|8.938823|17.732909|8.907733|5.641197|4.949638|3.402591|5.339308|3.957922|3.535002|3.333567|3.422259|3.767373|4.107111|5.611668|5.446571|1.405798|0.044048|0.040984|0.047407|0.045331|0.048844|0.055092|0.046615|0.051713|0.041774|0.038170|0.039316|0.048701|0.042223|0.046679|0.055763|0.067655|0.073023|0.214398|0.500000| |1.455424|1.437459|1.565628|1.751085|1.680136|1.532617|1.922551|0.037327|0.037758|1.434800|1.581852|2.601034|2.208672|4.130613|2.391188|21.998375|3.076768|3.523253|3.519100|3.063448|4.924658|4.969693|5.646065|8.919100|17.724848|8.921418|5.649403|3.045071|4.412190|3.358219|3.344084|3.175027|3.027407|3.025979|3.187876|4.087319|4.121828|1.303464|0.039917|0.038042|0.043513|0.041893|0.043962|0.050605|0.044777|0.050162|0.041564|0.037507|0.038533|0.046220|0.040798|0.045788|0.050812|0.062784|0.063418|0.123971|0.214921|0.500000| |1.470471|1.481874|1.628106|1.842488|1.805625|1.623946|2.010579|0.038769|0.039830|1.541422|1.648921|2.773378|2.375017|4.397621|2.627936|24.520713|3.517861|4.003601|4.000495|3.505407|5.683305|5.657388|4.943054|5.639970|8.906556|17.728977|8.928639|3.428853|4.506233|3.282661|3.377520|3.012034|2.689271|2.635413|2.884093|3.716232|3.977392|1.341666|0.039923|0.038368|0.043775|0.044105|0.045071|0.052288|0.048743|0.054624|0.045175|0.039923|0.041685|0.047474|0.042194|0.048217|0.054451|0.071398|0.067730|0.107394|0.124038|0.214876|0.500000| |1.624061|1.670445|1.884392|2.152362|2.093196|1.823533|2.254928|0.042844|0.045014|1.721468|1.803495|3.375285|2.947884|5.236004|3.517571|34.530272|5.655217|6.127093|6.124386|5.633622|9.828886|8.927001|5.636003|4.948850|5.639274|8.884893|17.721400|4.962953|5.704697|3.728056|3.617040|2.987940|2.638547|2.674063|3.119800|4.198901|4.863761|1.508834|0.044101|0.041841|0.048131|0.051676|0.052123|0.059822|0.057362|0.063379|0.050318|0.043895|0.047121|0.051826|0.045539|0.052354|0.067282|0.098528|0.089185|0.124267|0.107475|0.124009|0.214321|0.500000| |1.440943|1.486981|1.677884|1.831612|1.740562|1.534001|1.965627|0.037463|0.039639|1.447618|1.494945|2.872689|2.370609|4.018117|2.874538|24.446237|4.746113|6.232993|8.242681|8.946770|9.050579|6.079873|4.803741|3.968642|3.850353|4.415166|5.674467|17.604867|12.663936|7.139040|6.512626|4.440788|3.662814|3.745401|4.835563|6.229912|7.955364|1.379938|0.039891|0.037150|0.041894|0.046675|0.047379|0.050286|0.048469|0.050731|0.041366|0.037253|0.040221|0.043004|0.038291|0.042347|0.059508|0.081073|0.079730|0.122706|0.093970|0.090357|0.108283|0.160775|0.500000| |1.457791|1.514414|1.720778|1.845584|1.733050|1.523845|1.980476|0.037643|0.040150|1.433275|1.468780|2.915683|2.350648|3.887281|2.881930|22.860470|4.543842|6.740038|10.287410|9.135179|7.675174|4.566467|3.925837|3.214629|2.992253|3.247598|3.988140|17.621627|12.397784|6.191541|5.115834|3.794372|3.341905|3.573993|4.688811|6.603067|9.010988|1.420040|0.040673|0.037456|0.042012|0.048299|0.049026|0.050183|0.048671|0.049745|0.040546|0.036875|0.040126|0.042270|0.037691|0.041154|0.061647|0.081879|0.083063|0.109624|0.079785|0.072248|0.080927|0.112490|0.301187|0.500000| |1.235559|1.259493|1.391067|1.499117|1.435079|1.294864|1.669830|0.032197|0.033611|1.230985|1.277699|2.280858|1.849125|3.206416|2.126898|17.664748|3.021002|3.929400|4.659585|4.247563|5.180440|4.060602|3.789385|3.593711|3.617233|3.844239|4.089192|6.034623|8.846720|8.754977|17.737451|8.921860|5.577606|4.851447|5.574907|5.887321|6.217192|1.178825|0.034295|0.032206|0.035840|0.038493|0.039312|0.041579|0.039732|0.041652|0.035141|0.032070|0.034061|0.036700|0.033129|0.036221|0.046843|0.059088|0.059087|0.097369|0.089863|0.090670|0.099233|0.109361|0.210524|0.148637|0.500000| |1.106398|1.115948|1.215006|1.296933|1.242542|1.139220|1.478410|0.028742|0.029677|1.084920|1.135033|1.935758|1.551284|2.723644|1.730695|14.117281|2.273553|2.951188|3.329443|2.859787|3.687510|2.958339|3.007025|3.081452|3.101271|3.043506|2.972106|3.558574|5.614603|5.709899|9.015794|17.720949|8.867636|5.635309|4.994003|5.021964|4.707116|1.050275|0.030814|0.029050|0.032049|0.033445|0.034427|0.036263|0.034208|0.035893|0.030883|0.028521|0.029903|0.032637|0.029694|0.032123|0.039533|0.047506|0.048273|0.079314|0.082443|0.083294|0.080723|0.077657|0.108265|0.092162|0.215860|0.500000| |1.101888|1.100481|1.193135|1.263190|1.196748|1.103963|1.444467|0.028171|0.028875|1.043365|1.106550|1.873497|1.492743|2.626531|1.647272|13.307951|2.100376|2.725053|3.017165|2.540587|3.332950|2.662469|2.890353|3.001534|2.841885|2.621907|2.546180|3.009516|5.050560|4.991221|5.617187|8.861469|17.731292|8.983343|5.688742|5.619996|4.739565|1.038489|0.030920|0.028948|0.031913|0.032644|0.034112|0.035578|0.032748|0.034338|0.029514|0.027540|0.028666|0.032033|0.029060|0.031120|0.038194|0.044503|0.046577|0.079880|0.085515|0.077541|0.067992|0.065000|0.084908|0.078395|0.123685|0.216153|0.500000| |1.226042|1.218707|1.330731|1.403388|1.306631|1.199274|1.578861|0.030698|0.031450|1.119765|1.202058|2.096203|1.671522|2.920273|1.858022|14.985098|2.385207|3.095855|3.423500|2.877056|3.774338|2.957904|3.386246|3.366579|2.932135|2.639237|2.647348|3.321207|6.021140|5.606662|4.851592|5.586876|8.896471|17.739466|8.833029|9.106678|6.448681|1.148555|0.034692|0.032003|0.035552|0.036245|0.038493|0.039683|0.035611|0.037278|0.031481|0.029492|0.030732|0.035103|0.031481|0.033558|0.042821|0.049399|0.053565|0.100306|0.099184|0.077536|0.066060|0.066365|0.087535|0.085834|0.105823|0.123638|0.213723|0.500000| |6.925772|8.865191|6.888690|4.484873|3.850117|3.992863|7.627533|0.143961|0.152724|3.301057|3.475224|5.061097|2.988953|4.961568|2.586669|15.161042|1.932976|2.699377|2.402451|1.639373|2.325973|1.591072|1.566167|1.451583|1.375987|1.393410|1.493683|1.459961|1.919556|1.290015|1.195337|1.117930|1.114336|1.187533|1.285511|1.903562|2.021017|17.597613|0.215004|0.167225|0.142344|0.182844|0.199295|0.115637|0.104834|0.088461|0.078683|0.088086|0.093142|0.100008|0.094303|0.081349|0.104921|0.069261|0.074428|0.045198|0.039428|0.036117|0.036862|0.041487|0.038567|0.039990|0.032985|0.029452|0.029308|0.032664|0.500000| |5.505338|8.726783|6.874100|4.636747|4.425890|4.689708|9.677909|0.172670|0.234994|4.066163|3.699122|5.165030|3.002590|4.954005|2.595070|15.047146|1.922005|2.701442|2.398948|1.628234|2.303735|1.569909|1.522589|1.411281|1.352593|1.386042|1.491032|1.448430|1.881117|1.263424|1.178556|1.098518|1.086344|1.149805|1.246223|1.831472|1.956469|17.546861|0.143798|0.140521|0.122083|0.218571|0.163524|0.111810|0.128795|0.098250|0.093133|0.106952|0.121776|0.100028|0.099834|0.087027|0.108563|0.071614|0.072929|0.043471|0.038017|0.035480|0.036912|0.041882|0.038509|0.039795|0.032758|0.029050|0.028552|0.031437|0.302663|0.500000| 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