Version2.0 2020-07-26T14:29:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)CSc2[nH]c(=O)c3c(n2)NC4=C([C@H]3c5ccc(cc5)N(C)C)C(=O)CC(C4)(C)C C33810630 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)CSc2[nH]c(=O)c3c(n2)NC4=C([C@H]3c5ccc(cc5)N(C)C)C(=O)CC(C4)(C)C C01[X(C29H32N4O2S1)] 198 C1 608 Cc1ccc(cc1)CSc1nc2NC3=C([C@H](c2c(=O)[nH]1)c1ccc(cc1)N(C)C)C(=O)CC(C3)(C)C Cc1ccc(cc1)CSc1nc2NC3=C([C@H](c2c(=O)[nH]1)c1ccc(cc1)N(C)C)C(=O)CC(C3)(C)C CN(C)c1ccc(cc1)[C@@H]2C3=C(CC(C)(C)CC3=O)NC4=C2C(=O)NC(=N4)SCc5ccc(C)cc5 InChIKey=KPBCAXSMRNNWLM-HSZRJFAPSA-N InChI=1S/C29H32N4O2S/c1-17-6-8-18(9-7-17)16-36-28-31-26-25(27(35)32-28)23(19-10-12-20(13-11-19)33(4)5)24-21(30-26)14-29(2,3)15-22(24)34/h6-13,23H,14-16H2,1-5H3,(H2,30,31,32,35)/t23-/m1/s1 InChI=1/C29H32N4O2S/c1-17-6-8-18(9-7-17)16-36-28-31-26-25(27(35)32-28)23(19-10-12-20(13-11-19)33(4)5)24-21(30-26)14-29(2,3)15-22(24)34/h6-13,23H,14-16H2,1-5H3,(H2,30,31,32,35)/t23-/m1/s1/f/h30,32H Cc1ccc(cc1)CSc2[nH]c(=O)c3c(n2)NC4=C([C@H]3c5ccc(cc5)N(C)C)C(=O)CC(C4)(C)C C01[X(C29H32N4O2S1)] 198 C01 608 Cc1ccc(cc1)CSc1nc2NC3=C([C@H](c2c(=O)[nH]1)c1ccc(cc1)N(C)C)C(=O)CC(C3)(C)C O=C1CC(C)(C)CC2=C1[C@@H]([C]1[CH][CH][C]([CH][CH]1)N(C)C)[C]1[C]([N][C](N[C]1=O)SC[C]1[CH][CH][C]([CH][CH]1)C)N2 C[C]1[CH][CH][C]([CH][CH]1)CS[C]2[N][C]3NC4=C([C@@H]([C]5[CH][CH][C]([CH][CH]5)N(C)C)[C]3C(=O)N2)C(=O)CC(C)(C)C4 InChIKey=KPBCAXSMRNNWLM-HSZRJFAPSA-N InChI=1S/C29H32N4O2S/c1-17-6-8-18(9-7-17)16-36-28-31-26-25(27(35)32-28)23(19-10-12-20(13-11-19)33(4)5)24-21(30-26)14-29(2,3)15-22(24)34/h6-13,23H,14-16H2,1-5H3,(H2,30,31,32,35)/t23-/m1/s1 InChI=1/C29H32N4O2S/c1-17-6-8-18(9-7-17)16-36-28-31-26-25(27(35)32-28)23(19-10-12-20(13-11-19)33(4)5)24-21(30-26)14-29(2,3)15-22(24)34/h6-13,23H,14-16H2,1-5H3,(H2,30,31,32,35)/t23-/m1/s1/f/h30,32H 3863.6954275637 -1881.8926901 1-A 27650.4860 133 475 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97359 -20.52806 -20.51996 -15.62809 -15.60889 -15.57248 -15.55587 -11.37961 -11.35332 -11.33188 -11.31169 -11.30008 -11.28081 -11.25461 -11.25339 -11.25210 -11.25071 -11.24965 -11.24403 -11.24388 -11.24188 -11.23979 -11.23797 -11.23788 -11.23280 -11.23052 -11.22371 -11.22232 -11.22173 -11.21937 -11.21577 -11.21102 -11.20518 -11.20209 -11.20199 -11.19799 -8.98473 -6.66768 -6.66586 -6.66404 -1.40018 -1.37500 -1.34390 -1.29712 -1.24128 -1.21210 -1.17513 -1.14414 -1.13130 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0.93480 0.93801 0.94519 0.96180 0.96443 0.96639 0.97436 0.98405 0.98654 0.98878 0.99593 0.99805 1.00382 1.00552 1.01012 1.01554 1.02268 1.03456 1.04024 1.04571 1.05505 1.06237 1.07026 1.07752 1.08453 1.09896 1.10028 1.10193 1.10516 1.11054 1.11125 1.11946 1.12357 1.12698 1.12963 1.13204 1.13456 1.13923 1.14159 1.14505 1.14702 1.15325 1.15916 1.15944 1.16433 1.16911 1.17066 1.17366 1.17541 1.17775 1.17963 1.18447 1.18713 1.19044 1.19239 1.19507 1.20426 1.21051 1.21369 1.21940 1.22238 1.22397 1.23102 1.23489 1.24040 1.24242 1.24772 1.24870 1.25071 1.25464 1.26285 1.26497 1.26900 1.27593 1.28042 1.29198 1.29623 1.29991 1.30374 1.31506 1.32649 1.33691 1.34377 1.35642 1.36173 1.37010 1.37684 1.38609 1.39207 1.39599 1.40496 1.42383 1.43330 1.43649 1.44216 1.44661 1.44976 1.46248 1.46343 1.47650 1.48394 1.48768 1.49346 1.49761 1.50583 1.51339 1.53217 1.54691 1.57058 1.58239 1.58941 1.62219 1.62537 1.63647 1.64124 1.64655 1.65991 1.67248 1.67726 1.68191 1.68554 1.69760 1.70479 1.71087 1.71478 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 10.6231 15.6201 17.7438 22.9980 26.9939 31.1355 38.3291 43.1069 44.4339 57.8220 73.6028 82.4436 93.5563 108.8227 121.1079 141.7776 149.1657 173.9236 179.8283 182.1660 188.1937 237.9211 242.9111 247.6630 249.5821 258.3679 271.6113 295.8802 307.6049 316.3484 321.3524 331.2040 343.6958 357.8985 366.4355 376.7837 406.7847 412.0167 416.3219 457.1634 458.7941 462.7939 472.6033 492.9213 500.9117 508.3974 518.4675 524.8352 550.3944 580.0147 600.8752 603.9371 614.0696 616.1991 638.9117 646.1054 676.4955 684.7936 699.6240 704.6056 715.6074 724.4831 762.2007 776.9768 799.0652 803.1637 805.2155 812.4062 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174.25 203.99 214.62 250.24 258.73 262.10 270.77 342.32 349.49 356.33 359.09 371.73 390.79 425.71 442.57 455.15 462.35 476.53 494.50 514.94 527.22 542.11 585.27 592.80 598.99 657.76 660.10 665.86 679.97 709.20 720.70 731.47 745.96 755.12 791.89 834.51 864.53 868.93 883.51 886.57 919.25 929.60 973.33 985.27 1006.60 1013.77 1029.60 1042.37 1096.64 1117.90 1149.68 1155.57 1158.53 1168.87 1196.23 1220.65 1242.34 1255.77 1282.71 1298.27 1312.86 1337.15 1349.51 1351.40 1370.69 1424.15 1430.58 1454.03 1484.58 1489.75 1496.88 1535.02 1537.60 1557.21 1559.36 1562.19 1576.33 1580.70 1593.27 1608.81 1619.44 1643.34 1664.46 1688.79 1688.80 1723.45 1748.36 1754.23 1783.80 1784.64 1801.37 1814.07 1816.26 1832.04 1849.32 1855.46 1863.05 1885.24 1888.51 1896.66 1918.09 1924.12 1926.70 1936.09 1954.04 1968.64 2009.12 2019.95 2038.52 2047.05 2077.45 2081.43 2113.85 2116.17 2135.57 2150.02 2169.12 2188.00 2237.45 2246.32 2255.26 2265.89 2272.32 2286.29 2311.99 2316.69 2320.40 2337.75 2344.02 2353.10 2353.22 2356.03 2356.26 2360.92 2363.13 2371.23 2376.85 2388.54 2390.28 2393.84 2420.11 2438.23 2446.34 2526.47 2539.33 2551.02 2613.94 2620.33 2625.00 2681.77 2818.75 2832.68 4547.74 4560.16 4581.46 4589.71 4599.65 4608.98 4614.32 4634.37 4684.49 4689.76 4690.95 4693.13 4697.97 4699.17 4699.40 4711.90 4723.53 4728.76 4731.49 4741.09 4763.72 4812.54 4820.10 4821.59 4822.86 4847.93 4852.03 4860.46 4902.94 4913.35 5527.22 5583.85 0.604382 0.636638 0.637582 0.534672 -1881.288308 -1881.256052 -1881.255108 -1881.358019 3.451652D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE Cc1ccc(cc1)CSc2[nH]c(=O)c3c(n2)NC4=C([C@H]3c5ccc(cc5)N(C)C)C(=O)CC(C4)(C)C C33810630 RHF 6-31G(d) (6D,10F) C1 500.224598 |X|Y|Z| 73.850429 142.464645 43.593749 77.119010 28 6 7 16 24 3 1 |36.858105| |12.609223|36.858105| |7.544578|13.706501|36.858105| |5.010643|7.889546|13.766507|36.858105| |4.408288|6.777383|7.903905|13.718058|36.858105| |5.010395|7.889747|6.911110|7.986988|13.719693|36.858105| |7.544134|13.708165|7.995061|6.910838|7.903696|13.764848|36.858105| |3.267271|4.409722|5.018328|7.558073|12.622741|7.558029|5.018094|36.858105| |2.858693|3.655112|4.057671|5.424628|6.990890|5.421220|4.056113|10.409567|388.023441| |2.290639|2.788972|3.049965|3.851253|4.607609|3.846784|3.047667|6.846142|76.856612|36.858105| |2.050811|2.428762|2.621277|3.163239|3.607101|3.159006|2.618814|4.710117|51.472904|14.140441|53.358707| |2.077607|2.447023|2.627848|3.121547|3.507741|3.118695|2.626095|4.334832|50.044810|9.303769|25.966565|0.500000| |1.789012|2.073801|2.220029|2.611697|2.909492|2.607464|2.217389|3.659169|33.988811|7.851196|18.482472|0.259356|36.858105| |1.657574|1.892560|2.010130|2.312986|2.530887|2.311821|2.009333|3.042699|27.856923|5.458341|11.544778|0.218773|15.898965|73.516695| |1.733812|2.008138|2.152646|2.540468|2.836237|2.533138|2.148146|3.630168|30.184120|6.980815|10.917397|0.161677|13.213694|14.284362|36.858105| |1.890514|2.223924|2.400219|2.898449|3.308710|2.894509|2.397932|4.481308|34.569264|8.467373|9.885441|0.146117|7.971975|9.602335|14.096367|36.858105| |2.187512|2.646519|2.890376|3.636822|4.337159|3.635292|2.889535|6.592153|50.773708|14.899353|11.224662|0.165164|6.731550|8.419683|7.854017|13.890108|53.358707| |1.792795|2.087488|2.240866|2.665981|3.005405|2.668070|2.242060|3.925233|27.294623|5.507605|6.495533|0.106046|5.201184|7.177514|8.061942|13.881447|11.286500|53.358707| |1.590462|1.817830|1.928446|2.234490|2.475448|2.256993|1.942807|3.067274|21.743054|4.118729|5.300019|0.090119|4.528315|6.706452|6.857707|7.956001|7.249976|18.776317|36.858105| |1.488681|1.687766|1.785386|2.047993|2.247000|2.063951|1.795890|2.733047|20.356173|3.867169|5.378207|0.092440|5.005733|7.735893|7.712286|6.853116|6.270793|10.978229|14.242991|36.858105| |1.528027|1.737857|1.849450|2.131898|2.330420|2.121399|1.842560|2.849165|22.571744|4.490690|6.846574|0.115407|7.434413|11.458025|12.573253|7.584440|6.807559|9.076153|7.605682|12.525661|36.858105| |1.463470|1.653377|1.741550|1.984582|2.173026|2.011450|1.759576|2.607867|20.982463|4.024667|6.384853|0.112036|6.997345|12.333329|8.982047|5.818289|5.786550|6.966084|5.831227|8.968385|17.604820|0.500000| |1.452573|1.638780|1.761323|2.016137|2.145300|1.936735|1.707667|2.565045|20.255710|3.809984|5.821686|0.102929|5.870929|9.989245|7.538994|5.482959|5.562315|6.851273|5.503734|7.535563|12.462879|0.250133|36.858105| |1.341594|1.497152|1.599013|1.802692|1.900930|1.738081|1.553428|2.215371|17.649158|3.156763|4.934019|0.091785|4.816725|9.237527|5.278262|4.023492|4.412554|5.055039|4.055949|5.324725|7.501421|0.206074|13.755218|36.858105| |1.275584|1.412763|1.514799|1.693464|1.756576|1.604247|1.449981|2.011864|15.855117|2.723651|4.167455|0.079552|3.786490|7.223056|3.987795|3.278197|3.772575|4.204389|3.299410|4.010920|4.982057|0.133953|7.869150|13.769012|36.858105| |1.297685|1.437453|1.556008|1.742941|1.785526|1.613982|1.462254|2.040397|15.806765|2.680136|3.976796|0.075647|3.459360|6.287117|3.705452|3.207822|3.755522|4.191179|3.217379|3.707600|4.359545|0.110340|6.704914|7.861171|13.630644|36.858105| |1.398842|1.563491|1.707001|1.937393|1.987523|1.772279|1.590913|2.310070|17.644240|3.058643|4.416906|0.081765|3.813806|6.536136|4.315561|3.842766|4.413324|5.095033|3.841744|4.298434|4.971877|0.116578|7.859851|6.932370|7.993310|13.609512|36.858105| |1.485878|1.678439|1.827968|2.102896|2.201139|1.955755|1.728899|2.629816|20.200082|3.709697|5.360637|0.095219|4.874028|7.927056|6.111268|5.223046|5.538532|6.860521|5.205166|6.050816|7.468034|0.155723|13.725802|8.064424|6.940799|7.865704|13.781458|36.858105| |1.223958|1.343772|1.454584|1.611048|1.629944|1.479515|1.355665|1.828399|14.034080|2.297134|3.365623|0.065319|2.814265|5.142012|2.934840|2.628634|3.186827|3.465620|2.631371|2.930855|3.303121|0.085802|4.494220|5.138237|7.803258|13.628174|7.806526|5.142240|53.358707| |1.131567|1.233394|1.323588|1.451670|1.471534|1.351403|1.246325|1.633461|12.560235|2.028291|2.990346|0.058791|2.494796|4.661747|2.559127|2.284372|2.790088|3.015233|2.315463|2.597960|2.897098|0.078102|3.745819|4.524050|6.728182|7.813997|5.111156|3.926636|17.926944|36.858105| |1.214722|1.329710|1.446056|1.596855|1.599623|1.447204|1.332214|1.781906|13.379515|2.153761|3.071194|0.059471|2.495934|4.441847|2.638677|2.454878|3.023175|3.308226|2.490981|2.679112|2.896071|0.074089|3.746429|3.929439|5.120758|7.814961|6.716850|4.522718|17.930482|7.777106|36.858105| |1.340829|1.499898|1.572421|1.771820|1.924712|1.798033|1.590615|2.269338|16.760374|2.999341|4.214832|0.075569|3.794191|6.309371|4.990904|4.495246|4.645778|6.992423|7.839868|12.925739|7.412981|0.195920|5.862445|4.911558|3.836787|3.460258|3.774570|4.783055|3.818329|2.571926|2.561314|36.858105| |1.268595|1.410279|1.474733|1.649008|1.779618|1.671278|1.490562|2.070374|15.591083|2.746742|3.980795|0.072857|3.634451|6.366795|4.465798|3.824617|4.093198|5.524338|5.409873|8.147841|6.704054|0.204116|5.816189|5.511273|4.224153|3.598755|3.701799|4.484616|3.971626|2.749573|2.594126|15.894889|73.516695| |1.294747|1.440458|1.501579|1.678915|1.820841|1.716499|1.528238|2.118775|15.137087|2.612622|3.551089|0.064492|3.021858|5.000732|3.808199|3.735515|4.083296|6.141685|6.689598|7.432547|4.819910|0.127156|4.118611|3.587043|3.032278|2.854555|3.118207|3.729550|3.290617|2.238567|2.282634|12.540118|14.331092|36.858105| |1.353739|1.511087|1.584486|1.779860|1.924456|1.798811|1.597776|2.248451|15.550636|2.661591|3.493531|0.063067|2.878125|4.641134|3.662763|3.859750|4.285443|6.885719|7.478883|6.496651|4.303423|0.106853|3.805002|3.203655|2.796552|2.758405|3.133511|3.735215|3.216225|2.144037|2.298834|7.418069|9.317053|12.413466|36.858105| |1.517851|1.718240|1.807772|2.063953|2.270785|2.103147|1.833878|2.730225|18.530568|3.259385|4.128665|0.072802|3.349824|5.179434|4.460843|5.136192|5.544082|10.652445|12.638613|7.561258|4.853288|0.115408|4.001292|3.214120|2.754675|2.731274|3.186273|3.957884|3.155806|2.073020|2.250606|6.523310|8.223054|7.671018|12.387732|36.858105| |1.314775|1.462287|1.548964|1.737438|1.844559|1.704513|1.525500|2.138947|14.834986|2.515925|3.322715|0.060390|2.734683|4.452154|3.426758|3.555464|3.998276|6.118522|6.005767|5.571865|4.062101|0.098658|3.973391|3.356400|3.041880|3.118862|3.623292|4.182235|3.647602|2.391180|2.667854|6.073768|8.419303|7.547795|12.387284|7.532512|36.858105| |1.292710|1.430907|1.487138|1.650194|1.779510|1.686803|1.513718|2.036721|13.837356|2.284661|2.974513|0.054596|2.381740|3.888251|2.891569|3.077920|3.614059|5.252569|4.936283|4.347621|3.229920|0.083269|2.913722|2.558025|2.297259|2.276673|2.527457|2.884132|2.738142|1.856340|1.983028|4.895986|6.974456|7.588598|12.423308|7.606718|7.627958|36.858105| |17.530190|8.848657|6.267331|4.449228|3.964692|4.444525|6.254483|3.030567|18.451403|2.136983|2.600145|0.053256|1.686165|2.775271|1.653514|1.810120|2.826678|2.367980|1.550311|1.444224|1.468694|0.039005|1.397473|1.289644|1.228246|1.252708|1.352339|1.434178|1.611261|1.094905|1.180271|1.306395|2.192097|1.270890|1.335980|1.494896|1.298473|1.284439|0.500000| |17.572291|8.836686|5.638394|4.195746|3.945599|4.701970|7.090333|3.017641|19.338512|2.192726|2.701903|0.056204|1.736661|2.878689|1.674173|1.811540|2.834190|2.332904|1.530752|1.440338|1.479849|0.039639|1.401132|1.300357|1.233933|1.247635|1.337118|1.421684|1.601297|1.093129|1.162450|1.303315|2.199846|1.258575|1.307528|1.461228|1.263780|1.251444|0.302095|0.500000| |17.571803|8.836816|7.082437|4.699871|3.945701|4.197507|5.642710|3.017725|19.350269|2.193957|2.704029|0.056251|1.738119|2.880283|1.675986|1.812345|2.834685|2.332144|1.525405|1.436320|1.482624|0.039447|1.422611|1.319850|1.262656|1.288822|1.385399|1.460642|1.663245|1.130176|1.215203|1.295857|2.187969|1.247346|1.301902|1.451112|1.273267|1.239950|0.302106|0.301658|0.500000| |6.993872|8.911684|17.702460|8.949790|5.638986|4.970672|5.665808|4.098336|24.793521|2.731133|3.261627|0.066951|2.060624|3.348802|2.000010|2.205366|3.539905|2.820455|1.801886|1.677815|1.739655|0.045507|1.679090|1.533817|1.467012|1.516536|1.658929|1.755154|1.946205|1.301764|1.430299|1.487088|2.489174|1.421663|1.501053|1.695254|1.481343|1.411159|0.168304|0.143058|0.212319|0.500000| |4.092462|5.630812|8.940729|17.699999|8.911546|5.662524|4.970322|7.004423|37.975446|3.972516|4.446392|0.088864|2.709613|4.250064|2.647608|3.023237|5.141569|3.777599|2.312481|2.120266|2.220324|0.056833|2.131642|1.896626|1.793054|1.866778|2.094263|2.260787|2.351296|1.542433|1.722365|1.823658|3.014769|1.719350|1.831563|2.120786|1.810926|1.684547|0.103923|0.096769|0.111735|0.216831|0.500000| |4.092279|5.631000|4.970431|5.662391|8.911887|17.699579|8.940439|7.003959|37.932373|3.963631|4.434953|0.088709|2.701128|4.245896|2.632792|3.015195|5.137240|3.783258|2.357611|2.152199|2.199250|0.058320|1.973160|1.768812|1.617455|1.612349|1.765573|1.966038|2.000567|1.347470|1.429389|1.875714|3.093046|1.793620|1.868956|2.198680|1.746040|1.756154|0.103786|0.111804|0.096819|0.107801|0.124227|0.500000| |6.992890|8.912169|5.665729|4.970539|5.638951|8.949125|17.702555|4.098185|24.781354|2.728225|3.257093|0.066885|2.056879|3.346754|1.993593|2.202225|3.538465|2.822788|1.822976|1.693493|1.729458|0.046259|1.598296|1.463827|1.366096|1.370389|1.480646|1.606099|1.732981|1.178090|1.248901|1.514898|2.532670|1.462778|1.521416|1.734234|1.445193|1.452441|0.167721|0.212810|0.143213|0.124259|0.107799|0.216828|0.500000| |3.020513|3.949093|4.203753|5.647588|8.839070|7.098671|4.709035|17.655714|56.568632|6.524286|6.164934|0.113171|3.640817|5.353266|3.728166|4.735668|9.428622|5.806634|3.306981|2.887532|2.935815|0.074909|2.570906|2.209981|1.984679|1.993993|2.253255|2.596482|2.419487|1.596450|1.727589|2.393825|3.842529|2.257329|2.402650|2.974978|2.235951|2.188019|0.079236|0.078981|0.076402|0.096941|0.143252|0.212730|0.111953|0.500000| |3.020431|3.948860|4.708341|7.096011|8.837880|5.648265|4.203801|17.655760|56.577449|6.537506|6.175063|0.113252|3.648424|5.355388|3.744994|4.748453|9.439007|5.799319|3.255999|2.855806|2.956169|0.073593|2.709523|2.308255|2.109728|2.174896|2.508924|2.857849|2.648928|1.717912|1.915619|2.348881|3.780064|2.195406|2.370083|2.895283|2.291248|2.130247|0.079264|0.076398|0.078953|0.111932|0.212599|0.143279|0.096947|0.302511|0.500000| |1.892284|2.218161|2.381489|2.852469|3.249884|2.874025|2.393928|4.289288|27.575566|5.197977|5.793857|0.097078|4.324054|6.127552|5.893378|9.433213|10.835888|26.068589|9.225598|5.856580|4.948528|0.112848|4.017291|3.122197|2.684841|2.714124|3.261993|4.143726|3.136183|2.017770|2.238911|4.245100|6.105094|4.012999|4.712285|7.438485|4.176468|3.825292|0.051311|0.050016|0.049897|0.060791|0.082054|0.083253|0.061273|0.133535|0.131553|0.500000| |1.306235|1.453208|1.538310|1.723994|1.830175|1.693411|1.516467|2.119651|17.018382|3.016517|4.791047|0.090467|4.719321|9.596056|4.954513|3.742835|4.156159|4.672128|3.783175|5.027079|6.977944|0.229260|8.946536|17.725797|8.985277|5.628779|4.983672|5.698342|5.686803|3.957668|3.289406|4.892804|10.494278|3.546920|3.051594|3.043217|3.082681|2.476076|0.034840|0.035361|0.035629|0.040871|0.049890|0.048215|0.039935|0.059189|0.060431|0.080870|0.500000| |1.205221|1.325962|1.414022|1.566416|1.620692|1.493111|1.359435|1.832732|14.458003|2.427892|3.722509|0.072491|3.313640|6.487940|3.379870|2.821046|3.320661|3.625462|2.841934|3.405323|4.096780|0.115614|5.651734|9.026212|17.779748|8.850191|5.653998|4.993084|9.625962|7.600608|4.654028|3.376259|6.777363|2.738023|2.497967|2.434384|2.684154|2.099681|0.032234|0.032500|0.033199|0.038133|0.045832|0.041849|0.035747|0.050256|0.052924|0.065339|0.220311|0.500000| |1.410959|1.574302|1.731241|1.962471|1.987311|1.761172|1.588424|2.291274|17.132751|2.893180|4.055987|0.075583|3.347155|5.646665|3.751946|3.532042|4.199858|4.784719|3.522687|3.730305|4.085548|0.096708|5.643905|4.988096|5.654160|8.841904|17.772885|9.019783|9.636473|4.643643|7.567340|3.299049|5.641053|2.852427|2.966299|3.028112|3.500326|2.441095|0.038013|0.037276|0.038930|0.047052|0.059484|0.048344|0.040931|0.061616|0.070057|0.087665|0.108132|0.123599|0.500000| |1.578498|1.797546|1.971343|2.296224|2.410997|2.114877|1.853072|2.933664|21.895751|4.078500|5.567268|0.096682|4.817017|7.372569|6.400132|6.164635|6.429623|8.534341|6.070717|6.268612|6.911561|0.140049|8.908315|5.690943|4.985489|5.633011|9.008675|17.691787|5.694814|3.287091|3.958568|4.658857|7.310635|3.797902|4.036104|4.518439|4.531288|3.087913|0.042427|0.041726|0.042953|0.052389|0.069051|0.058900|0.047519|0.080574|0.090617|0.141728|0.124584|0.108171|0.220852|0.500000| |1.092821|1.189768|1.270454|1.391373|1.418144|1.309322|1.207123|1.575489|12.022883|1.948651|2.859026|0.055894|2.401192|4.473527|2.503657|2.236884|2.706437|2.996077|2.347999|2.661028|2.903990|0.079008|3.711411|4.534972|6.522329|6.871906|4.734886|3.793278|12.196035|17.468435|6.393489|2.713602|5.242863|2.371305|2.242865|2.124396|2.516306|1.942591|0.029446|0.029378|0.030224|0.034617|0.040857|0.036427|0.031798|0.043116|0.045908|0.055625|0.112475|0.210973|0.118181|0.088499|0.500000| |1.092340|1.184631|1.271747|1.386322|1.395350|1.283417|1.190976|1.534382|11.718263|1.860771|2.716807|0.053772|2.221357|4.122735|2.265108|2.058331|2.553482|2.728274|2.076810|2.285666|2.507175|0.067534|3.127746|3.612847|4.895610|5.713660|4.234757|3.324632|12.534397|17.619336|7.540003|2.262407|4.250415|2.011282|1.948823|1.886787|2.173232|1.713073|0.029402|0.029295|0.030398|0.034918|0.040953|0.035419|0.031296|0.041533|0.044843|0.051327|0.089881|0.148727|0.113332|0.080075|0.300558|0.500000| |1.137336|1.239592|1.327055|1.454104|1.477522|1.360551|1.254856|1.638315|12.779182|2.061981|3.090625|0.061387|2.593147|4.963117|2.595471|2.281142|2.796664|2.959252|2.258075|2.554234|2.918178|0.080255|3.733724|4.696767|6.988277|6.929093|4.622306|3.743057|12.397974|17.599377|5.730568|2.516278|4.838645|2.166499|2.050294|2.002336|2.236904|1.778049|0.030465|0.030604|0.031573|0.036199|0.042785|0.037742|0.032990|0.044420|0.047515|0.054860|0.117783|0.249603|0.113737|0.086822|0.300471|0.303975|0.500000| |1.286751|1.413379|1.550149|1.719797|1.709737|1.532368|1.408813|1.907086|14.287061|2.289995|3.236328|0.062588|2.589597|4.542800|2.728797|2.575493|3.211185|3.448528|2.536318|2.675460|2.906779|0.073261|3.719595|3.727328|4.604195|6.895002|6.965108|4.682809|12.385566|5.737111|17.592941|2.491769|4.405435|2.226402|2.278862|2.278564|2.632109|1.966024|0.034697|0.034054|0.035840|0.042724|0.052021|0.041788|0.036492|0.050904|0.057495|0.065193|0.086480|0.113320|0.250009|0.117737|0.133241|0.155775|0.131374|0.500000| |1.154690|1.255617|1.361786|1.490788|1.485801|1.351700|1.253416|1.636054|12.266558|1.940600|2.765484|0.054147|2.219860|3.983613|2.310914|2.161812|2.701012|2.908315|2.183661|2.333931|2.506510|0.065223|3.127929|3.326187|4.240352|5.713843|4.890227|3.611870|12.533624|7.562121|17.620995|2.258304|4.092597|2.041116|2.048855|2.000021|2.348207|1.799160|0.031191|0.030737|0.032184|0.037582|0.044543|0.037027|0.032733|0.044017|0.048587|0.055230|0.080103|0.113532|0.148377|0.089900|0.170058|0.249447|0.155330|0.304081|0.500000| |1.192893|1.305491|1.415634|1.563141|1.572288|1.426261|1.311651|1.755104|12.990222|2.099251|2.957522|0.056770|2.408597|4.236696|2.607774|2.455095|2.995073|3.390506|2.599370|2.782490|2.911027|0.073974|3.725077|3.815777|4.772426|6.900175|6.508077|4.539530|12.200164|6.369314|17.466147|2.703617|4.830707|2.444107|2.486451|2.387479|2.971648|2.140985|0.032324|0.031705|0.033036|0.038814|0.046689|0.039244|0.034213|0.047636|0.052528|0.063874|0.089053|0.119222|0.207987|0.112418|0.167846|0.168276|0.133016|0.300453|0.300660|0.500000| |1.207813|1.333855|1.388859|1.540192|1.654700|1.565196|1.407074|1.898309|13.606943|2.303250|3.160786|0.058265|2.674464|4.528238|3.247685|3.135990|3.523445|4.960420|4.951709|5.584098|4.086540|0.110724|3.732959|3.417592|2.975531|2.795130|2.974328|3.415047|3.274139|2.265249|2.275711|9.000550|13.522268|17.581180|8.740135|5.527745|6.964622|6.762790|0.032977|0.032652|0.032430|0.036728|0.043856|0.045222|0.037519|0.055661|0.054602|0.091708|0.094521|0.075931|0.075841|0.094210|0.067753|0.056647|0.060547|0.060792|0.056914|0.068327|0.500000| |1.298205|1.443102|1.491577|1.661984|1.818264|1.734163|1.543015|2.108097|15.034529|2.571893|3.486179|0.063613|2.930600|4.859894|3.615750|3.579295|3.994381|5.772235|5.938021|6.302402|4.362396|0.119870|3.597273|3.190483|2.699403|2.520398|2.718327|3.220891|2.943316|2.023777|2.038604|9.052347|12.028261|17.486837|8.824475|6.890481|5.500070|7.119469|0.035405|0.035204|0.034603|0.039057|0.046847|0.050808|0.041265|0.063125|0.059874|0.107185|0.089923|0.068774|0.069476|0.091357|0.059169|0.050865|0.055009|0.055494|0.051177|0.059892|0.303266|0.500000| |1.538381|1.741247|1.810455|2.057512|2.295030|2.161565|1.880029|2.745514|18.454707|3.191700|4.011970|0.071236|3.193490|4.957348|4.112069|4.761817|5.378150|9.189224|9.005959|6.182532|4.290100|0.106977|3.461015|2.868282|2.463321|2.410782|2.744653|3.336772|2.823461|1.881372|2.006070|5.595757|7.434169|6.730708|8.798797|17.492352|5.506320|7.260281|0.042145|0.041335|0.040599|0.046855|0.057917|0.063660|0.049742|0.085020|0.079213|0.190988|0.077302|0.061465|0.072505|0.103260|0.053478|0.047837|0.050938|0.056378|0.050104|0.058544|0.138238|0.197751|0.500000| |1.572168|1.783748|1.890284|2.166073|2.365618|2.168853|1.892099|2.841575|18.656226|3.211117|3.961174|0.070145|3.113600|4.791430|4.039262|4.853887|5.530787|10.152405|8.968600|5.756193|4.168991|0.098559|3.635324|2.935364|2.586716|2.636366|3.127887|3.799821|3.088971|2.010536|2.248418|4.920393|6.691396|5.551583|8.797389|17.516009|7.115894|6.723637|0.043223|0.041766|0.041736|0.049343|0.062226|0.062378|0.049418|0.085660|0.085522|0.224781|0.076064|0.063496|0.085070|0.124883|0.056798|0.051288|0.053598|0.064026|0.055549|0.066468|0.123388|0.139668|0.303596|0.500000| |1.223173|1.349878|1.424117|1.582148|1.669751|1.554580|1.403915|1.908504|13.334091|2.224138|2.976124|0.054831|2.447483|4.070681|2.971497|3.005278|3.451071|4.918872|4.615849|4.585493|3.542296|0.089198|3.558314|3.159865|2.932669|2.988372|3.340876|3.682565|3.569437|2.389019|2.618626|5.399730|8.097023|6.881973|8.784999|5.482905|17.549724|6.964329|0.033590|0.032748|0.032985|0.037994|0.045695|0.044194|0.037118|0.055163|0.056348|0.093953|0.081663|0.073265|0.089667|0.106115|0.071049|0.060565|0.061700|0.070454|0.064727|0.082014|0.208619|0.142127|0.123234|0.143148|0.500000| |1.342972|1.493371|1.587841|1.780752|1.878904|1.729087|1.550903|2.169035|14.724098|2.456125|3.183263|0.058022|2.555334|4.129369|3.154025|3.384285|3.926917|5.872391|5.283369|4.592203|3.542654|0.085864|3.496398|2.961660|2.743482|2.884112|3.395569|3.826161|3.444526|2.242663|2.583756|4.630566|6.689736|5.484519|8.763725|6.835782|17.534234|6.981732|0.037008|0.035704|0.036118|0.042287|0.051742|0.048923|0.040706|0.062851|0.065250|0.116754|0.075249|0.067556|0.094540|0.119115|0.064774|0.057384|0.058088|0.071939|0.063516|0.080060|0.141338|0.123070|0.143048|0.212268|0.301816|0.500000| |1.343581|1.499696|1.599437|1.805124|1.910567|1.748569|1.559715|2.234538|15.766337|2.724848|3.643358|0.065769|3.059874|4.971009|3.910575|3.955220|4.324986|6.690858|6.587380|6.544564|4.826752|0.112843|4.977466|4.045441|3.636893|3.780663|4.559165|5.433976|4.274303|2.734041|3.097328|6.705905|9.335177|6.815682|8.686571|6.811119|17.580147|5.499734|0.036687|0.035820|0.036266|0.042540|0.052659|0.049548|0.040849|0.064189|0.066894|0.121156|0.099668|0.086602|0.119990|0.163320|0.079727|0.067996|0.070560|0.084799|0.074019|0.096432|0.172540|0.138520|0.137899|0.177400|0.302131|0.301551|0.500000| |1.302780|1.441629|1.486064|1.644647|1.789571|1.714930|1.537229|2.043319|13.867487|2.277212|2.960430|0.054473|2.355649|3.848923|2.830676|3.019806|3.586689|5.073488|4.662463|4.119664|3.106253|0.081719|2.728177|2.414149|2.150826|2.104475|2.311245|2.645106|2.536403|1.732742|1.821884|4.604938|6.669943|6.919454|8.740689|6.910403|5.505665|17.541341|0.035959|0.035178|0.034570|0.038989|0.046229|0.050049|0.041198|0.061675|0.058620|0.103704|0.065968|0.055033|0.061665|0.078191|0.050187|0.044480|0.046545|0.050261|0.046186|0.053994|0.166883|0.214603|0.217863|0.163805|0.141620|0.141523|0.122269|0.500000| 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