Version2.4 2021-05-26T07:27:37Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(n[nH]c2=S)c3ccc(cc3)n4c(nc5ccc(cc5c4=O)Br)C C17175700 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(n[nH]c2=S)c3ccc(cc3)n4c(nc5ccc(cc5c4=O)Br)C C01[X(C24H40Br1N5O1S1)] 210 C1 579 Cc1ccc(cc1)n1c(=S)[nH]nc1c1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)Br Cc1ccc(cc1)n1c(=S)[nH]nc1c1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)Br CC1CCC(CC1)N2C(NNC2=S)C3CCC(CC3)N4C(C)NC5CCC(Br)CC5C4=O InChIKey=VAEAUZYKELCNQJ-UHFFFAOYSA-N InChI=1S/C24H40BrN5OS/c1-14-3-8-19(9-4-14)30-22(27-28-24(30)32)16-5-10-18(11-6-16)29-15(2)26-21-12-7-17(25)13-20(21)23(29)31/h14-22,26-27H,3-13H2,1-2H3,(H,28,32) InChI=1/C24H40BrN5OS/c1-14-3-8-19(9-4-14)30-22(27-28-24(30)32)16-5-10-18(11-6-16)29-15(2)26-21-12-7-17(25)13-20(21)23(29)31/h14-22,26-27H,3-13H2,1-2H3,(H,28,32)/f/h28H Cc1ccc(cc1)n2c(n[nH]c2=S)c3ccc(cc3)n4c(nc5ccc(cc5c4=O)Br)C C01[X(C24H40Br1N5O1S1)] 210 C01 579 Cc1ccc(cc1)n1c(=S)[nH]nc1c1ccc(cc1)n1c(C)nc2c(c1=O)cc(cc2)Br C[C@@H]1CC[C@H](CC1)[N@@]1[C](S)NN[C@H]1[C@@H]1CC[C@H](CC1)N1[C@H](C)N[C@H]2[C@H](C1=O)C[C@H](CC2)Br C[C@@H]1CC[C@H](CC1)N2[C](S)NN[C@H]2[C@@H]3CC[C@H](CC3)N4[C@H](C)N[C@@H]5CC[C@H](Br)C[C@H]5C4=O InChIKey=YQFPCQNGFYYXKF-XCGKYJNLSA-N InChI=1S/C24H41BrN5OS/c1-14-3-8-19(9-4-14)30-22(27-28-24(30)32)16-5-10-18(11-6-16)29-15(2)26-21-12-7-17(25)13-20(21)23(29)31/h14-22,26-28,32H,3-13H2,1-2H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-/m1/s1 InChI=1/C24H41BrN5OS/c1-14-3-8-19(9-4-14)30-22(27-28-24(30)32)16-5-10-18(11-6-16)29-15(2)26-21-12-7-17(25)13-20(21)23(29)31/h14-22,26-28,32H,3-13H2,1-2H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-/m1/s1 4111.2142345319 -4246.6626066 1-A 28728.0956 139 440 579 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525.21369 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 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 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 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1.9776 1.7150 2.2547 22.1515 12.0653 6.2437 2.5574 10.8840 6.8782 6.1176 1.5774 0.1478 16.9422 3.2122 10.5309 39.2743 25.4325 21.5437 16.7665 41.8151 3.0932 12.3755 8.7252 4.7904 15.3337 24.3874 97.1399 25.5736 200.0086 8.5614 51.0027 21.5412 93.1814 70.1553 2.1627 1.2768 38.4242 41.8273 112.7926 27.0127 45.4455 3.1636 9.6486 2.3966 1.6660 0.5952 51.8606 52.6374 10.9687 13.8064 4.8743 28.2461 2.2854 0.7310 2.6908 1.5108 0.7800 1.3654 17.3917 57.1689 12.0377 35.9899 13.0531 84.7090 43.9758 26.3387 50.7688 166.3313 5.5500 68.2039 0.4825 0.3695 21.7045 9.4226 94.1971 5.6719 28.1156 10.7998 28.6287 18.9384 3.9326 30.1168 2.2601 13.2648 6.1202 44.0520 114.7215 306.9876 9.0348 8.4603 2.7430 21.7782 49.4848 18.0500 14.1301 61.7675 13.7587 40.4502 20.0013 60.4239 21.8507 41.0939 8.5896 17.7935 33.1288 27.7467 67.2420 82.2470 8.5582 36.5599 60.2157 75.8306 54.1899 36.8217 30.9520 34.3326 28.4143 35.3040 21.1597 7.7679 35.5480 18.8459 40.1563 8.2113 13.2346 1.3240 1.9113 92.5458 0.1731 0.2569 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12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 78.91834 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 1.00783 1.00783 1.00783 1.00783 9392.5055 46155.3016 52341.8705 0.99958 -0.02733 -0.00987 0.02715 0.99948 -0.01755 0.01034 0.01727 0.99980 1 0.00922 0.00188 0.00165 0.19215 0.03910 0.03448 19.45 22.14 36.31 53.36 64.49 73.98 98.91 111.90 128.22 134.51 179.23 187.02 201.90 224.46 267.40 276.44 290.84 323.74 335.17 339.28 350.29 364.48 371.40 383.59 401.86 421.07 434.96 461.61 479.40 492.49 507.38 531.31 546.73 578.01 594.44 605.39 646.62 659.45 667.99 689.66 696.36 709.34 725.42 736.54 743.29 751.11 781.21 782.72 816.87 862.53 902.47 927.95 1012.47 1054.73 1059.54 1112.63 1125.31 1159.35 1186.27 1216.84 1241.13 1243.06 1247.71 1267.70 1277.92 1301.14 1338.20 1365.30 1386.40 1394.74 1424.12 1429.86 1448.15 1456.33 1460.53 1485.79 1496.34 1508.71 1518.20 1539.16 1553.49 1570.58 1582.38 1586.39 1595.74 1622.55 1644.16 1650.57 1679.65 1685.76 1691.63 1702.68 1712.39 1716.59 1724.61 1734.90 1745.69 1760.26 1796.82 1803.43 1813.39 1823.62 1842.15 1851.55 1856.27 1861.56 1869.46 1882.89 1894.73 1926.60 1946.74 1960.90 1962.17 1963.57 1992.81 2003.27 2015.82 2020.96 2028.96 2039.06 2047.20 2072.48 2084.58 2089.52 2106.21 2110.39 2111.30 2114.90 2115.71 2124.13 2138.22 2165.00 2171.76 2174.66 2185.83 2186.90 2195.88 2200.75 2204.20 2207.09 2215.68 2222.80 2233.27 2242.97 2247.30 2252.29 2252.43 2263.20 2269.14 2301.49 2336.86 2344.42 2347.60 2350.74 2353.42 2359.06 2362.87 2364.15 2365.20 2366.74 2366.96 2368.61 2369.71 2370.74 2372.78 2389.69 2391.37 2411.89 2428.85 2740.84 4559.29 4560.12 4578.31 4580.10 4581.15 4583.77 4589.55 4595.98 4600.22 4603.32 4604.26 4615.29 4618.21 4619.68 4625.58 4627.99 4634.39 4635.71 4638.24 4644.25 4650.16 4657.12 4662.60 4682.10 4688.97 4692.17 4701.56 4701.70 4712.89 4727.25 4736.31 4748.54 4758.21 4764.26 4765.05 4779.52 4787.15 5387.07 5417.38 5587.36 0.686627 0.715661 0.716605 0.624124 -4245.975979 -4245.946945 -4245.946001 -4246.038483 3.101861D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1ccc(cc1)n2c(n[nH]c2=S)c3ccc(cc3)n4c(nc5ccc(cc5c4=O)Br)C C17175700 RHF 6-31G(d) (6D,10F) C1 525.213694 |X|Y|Z| 151.929999 67.391762 33.243857 69.821190 27 6 7 22 5 |36.858105| |12.461180|36.858105| |7.520516|12.417359|36.858105| |4.881793|7.483510|12.432378|36.858105| |4.351128|6.427720|7.582634|12.436751|36.858105| |4.882815|7.485010|6.454459|7.507076|12.418972|36.858105| |7.522786|12.418960|7.579318|6.443583|7.562329|12.433283|36.858105| |3.268681|4.357965|4.958150|7.583395|12.937495|7.582694|4.952921|53.358707| |2.785968|3.476126|3.828767|5.015407|7.442797|5.603927|4.064700|17.531580|36.858105| |2.361169|2.871262|3.131948|4.033453|5.147680|4.220241|3.213968|11.318444|13.096948|53.358707| |2.429308|3.007950|3.250040|4.327555|5.277693|4.433734|3.292804|11.897778|8.428227|18.467748|53.358707| |2.242645|2.730147|2.866295|3.657483|4.330619|3.929917|2.990175|8.531128|6.228371|12.589936|26.055285|0.500000| |2.901579|3.777028|4.116853|5.975078|7.571156|5.988924|4.120274|19.312986|8.312339|11.331258|19.108637|0.261061|36.858105| |2.941637|3.827443|3.984565|5.467527|5.729807|5.331342|3.933170|9.430461|4.850749|6.687705|9.792977|0.186879|11.372260|388.023441| |2.694604|3.235234|3.694273|4.536059|6.024758|4.511318|3.675583|10.135022|12.423113|10.417748|7.267109|0.119659|5.267513|25.897299|36.858105| |2.269532|2.619566|2.871455|3.326859|4.146436|3.498404|2.974819|6.674020|7.545400|8.684278|5.975728|0.105636|4.010612|21.111156|12.386049|36.858105| |2.140502|2.394318|2.642376|2.926176|3.435900|2.947679|2.654739|5.097268|4.901956|5.849059|4.500192|0.081601|3.132429|17.525163|7.521903|12.435039|36.858105| |2.090253|2.327859|2.651491|2.946770|3.274538|2.723165|2.483787|4.833519|4.319739|5.371757|4.293987|0.077223|3.013055|17.116051|6.444781|7.540335|12.427313|36.858105| |2.403700|2.723925|3.252200|3.687821|3.991164|3.123285|2.845016|5.767868|4.854128|5.729169|4.714817|0.082374|3.454136|19.404404|7.544044|6.442322|7.502808|12.408313|36.858105| |2.583274|3.060008|3.693630|4.582165|5.225458|3.791799|3.240410|8.407860|7.358583|8.312765|6.506010|0.107362|4.753380|24.621583|12.405774|7.549973|6.434313|7.540322|12.427054|36.858105| |1.913734|2.074826|2.338969|2.506317|2.698175|2.317380|2.182319|3.840177|3.258752|4.116997|3.454605|0.063589|2.456423|14.533428|4.376137|4.946692|7.591134|12.933581|7.578308|4.944474|53.358707| |1.686057|1.818623|2.034689|2.186487|2.312907|2.012256|1.891709|3.338347|2.787271|3.691058|3.154576|0.058934|2.207657|13.296463|3.505436|3.958921|5.286664|7.622221|5.366074|3.996140|17.478497|36.858105| |1.568863|1.664313|1.847929|1.944373|2.025173|1.792261|1.715685|2.863051|2.330251|3.072954|2.695345|0.050889|1.910775|11.775303|2.831772|3.104406|3.961961|5.044139|4.073654|3.159088|10.573891|13.245109|53.358707| |1.646011|1.727005|1.930177|1.993889|2.047178|1.810586|1.762447|2.826684|2.254182|2.909416|2.585661|0.048629|1.869625|11.622717|2.741453|2.885694|3.641481|4.589530|4.061886|3.081147|9.407869|7.865628|17.931386|36.858105| |1.493614|1.546851|1.709343|1.744127|1.773418|1.594570|1.567913|2.431251|1.910836|2.485017|2.246604|0.042686|1.629839|10.316972|2.250913|2.351037|2.843475|3.358978|3.081524|2.479861|6.092621|5.059288|10.552154|12.489936|36.858105| |1.533950|1.567471|1.732343|1.735408|1.743504|1.575900|1.573778|2.347014|1.814678|2.331803|2.132413|0.040502|1.568828|10.031958|2.119279|2.160013|2.563483|2.961690|2.854638|2.324265|5.099255|3.856590|6.815671|7.564842|12.447444|36.858105| |1.651711|1.674698|1.841709|1.820413|1.842901|1.675674|1.692116|2.445839|1.894746|2.391813|2.179116|0.041296|1.616153|10.302994|2.230013|2.268597|2.725648|3.061731|2.961536|2.397227|5.253486|3.661554|6.046708|6.447163|7.475484|12.482061|36.858105| |1.860743|1.906199|2.120481|2.104259|2.152070|1.929488|1.941614|2.845477|2.226352|2.761488|2.482090|0.046575|1.846632|11.585746|2.701774|2.739189|3.408785|3.905412|3.785585|2.920076|6.971660|4.402110|6.832007|7.497585|6.396518|7.492283|12.487570|36.858105| |1.788059|1.867259|2.076351|2.117455|2.206123|1.961411|1.928040|2.995738|2.408153|3.023305|2.664828|0.049938|1.946332|12.019578|2.987139|3.159368|4.160502|4.983192|4.364847|3.244314|10.520660|6.554469|10.704425|12.468036|7.546571|6.477663|7.543607|12.455201|36.858105| |1.991258|2.119970|2.382062|2.471500|2.635129|2.295312|2.222065|3.605140|2.975391|3.652016|3.136745|0.057977|2.287232|13.765332|3.912250|4.193951|6.085007|7.794763|6.298305|4.258393|19.077732|7.570383|9.103452|7.612796|4.928991|4.375480|4.915606|7.562506|12.526863|36.858105| |2.228815|2.367523|2.659434|2.713997|2.930911|2.556134|2.508449|3.896391|3.202685|3.781268|3.251606|0.059777|2.416533|14.489853|4.279840|4.416529|6.269329|6.937249|6.390677|4.450450|11.527104|5.259084|6.395916|5.312449|3.934598|3.770458|4.461613|6.880743|8.049019|15.793187|73.516695| |1.497786|1.512851|1.627309|1.610116|1.655817|1.536002|1.550364|2.209164|1.729146|2.196133|1.998027|0.038235|1.471095|9.410142|2.005172|2.094983|2.507759|2.671122|2.486757|2.081910|4.486557|3.184191|5.221999|4.750484|5.596469|6.604177|9.575054|6.592543|5.618201|4.022242|6.640379|2539.412838| |1.566282|1.694614|1.862413|2.016333|2.168679|1.919188|1.784371|3.190542|2.720921|3.711956|3.139283|0.059492|2.146497|12.913495|3.319411|3.997160|5.158035|6.223306|4.310158|3.568741|10.404236|12.472174|10.808776|5.146310|3.938408|3.093389|2.973868|3.411739|4.675510|5.270549|7.360709|94.791558|36.858105| |17.540645|8.771382|6.856517|4.525711|3.811201|4.045774|5.471330|4.044440|2.532226|2.984380|3.094269|0.058484|2.694249|19.803403|2.464806|2.089378|1.986871|1.972952|2.275967|2.426823|2.479915|1.621117|2.065765|1.598453|1.459814|1.506765|1.612078|1.799900|1.719727|1.893783|3.727498|49.435365|1.500264|0.500000| |17.540367|8.770159|5.470028|4.045068|3.809616|4.524390|6.859146|4.043577|2.577125|3.010594|3.108100|0.059400|2.694991|19.714997|2.461112|2.116416|1.990690|1.921946|2.165456|2.324457|2.405509|1.567661|1.992184|1.527335|1.394517|1.429114|1.538048|1.718677|1.657627|1.834531|3.631436|48.096588|1.470883|0.301640|0.500000| |17.523184|8.773678|6.793397|4.508519|4.172933|4.511489|6.793939|4.295173|2.772060|3.163961|3.180772|0.059673|2.741470|19.088427|2.767214|2.343955|2.250447|2.193986|2.523519|2.649405|2.757244|1.766420|2.245814|1.746620|1.582797|1.636801|1.783544|2.023268|1.921577|2.141391|4.324496|54.893243|1.629394|0.301500|0.301502|0.500000| |6.900477|8.816496|17.532782|8.857624|5.518560|4.837765|5.507857|5.578885|3.253514|3.782632|3.969727|0.072392|3.603657|25.902041|3.172598|2.537167|2.373554|2.429785|2.965783|3.290995|2.969068|1.927115|2.407171|1.857195|1.660898|1.694763|1.788123|2.033181|1.973558|2.223519|4.348829|53.438195|1.757342|0.206523|0.140963|0.168891|0.500000| |4.506436|6.742091|8.844389|17.630235|8.837636|6.757035|5.654420|9.249059|4.481177|5.250834|6.020577|0.106104|6.332866|48.617713|3.869218|2.963845|2.593247|2.609385|3.164550|3.905867|3.052087|1.997578|2.431567|1.818524|1.607386|1.595779|1.659360|1.889951|1.907372|2.192386|4.208670|50.344709|1.864974|0.119781|0.107564|0.110723|0.215252|0.500000| |4.498353|6.726621|5.653154|6.763819|8.849530|17.602454|8.830523|9.278056|4.921010|5.495871|6.199828|0.115612|6.373527|46.830212|3.857965|3.093077|2.610799|2.444428|2.771664|3.362916|2.856250|1.856706|2.261296|1.670199|1.482884|1.463527|1.542411|1.754393|1.785844|2.061259|4.010187|48.272768|1.784523|0.107391|0.119517|0.110600|0.126426|0.198317|0.500000| |6.942819|8.851252|6.825589|5.651917|6.799831|8.823451|17.473559|6.276153|4.048411|4.268502|4.197096|0.077405|3.711366|24.056596|3.884997|3.163071|2.882958|2.666263|3.050097|3.376995|3.204002|2.007345|2.481067|1.886195|1.670475|1.683306|1.832884|2.126820|2.098032|2.437553|5.000656|57.132283|1.880572|0.141063|0.172022|0.205802|0.139944|0.130962|0.173408|0.500000| |2.259089|2.596219|2.753514|3.132865|3.995297|3.577493|3.033856|6.284112|7.032938|7.989833|5.693021|0.103908|3.845113|20.602895|8.798102|17.538155|8.843897|5.498943|4.834441|5.493754|5.573736|3.372147|3.748768|2.579942|2.152050|1.995637|2.114994|2.520175|2.854987|3.660724|6.991643|67.976323|3.486430|0.057212|0.059294|0.064777|0.067192|0.078358|0.087633|0.089963|0.500000| |2.278114|2.519842|2.760532|2.968857|3.499519|3.054044|2.823898|4.924789|4.551664|5.169293|4.131007|0.075269|2.976792|16.947304|6.763671|8.830184|17.613858|8.867467|6.744232|5.626029|9.345770|4.647843|5.081195|3.610264|2.849029|2.632790|2.893079|3.708389|4.390299|6.579794|13.922743|90.976963|4.346277|0.058244|0.058777|0.067579|0.068301|0.072132|0.073822|0.087468|0.214999|0.500000| |2.631455|2.948282|3.550104|3.854918|4.150203|3.272000|3.078672|5.581480|4.525949|5.093603|4.315132|0.076059|3.275349|18.782461|6.809026|5.647071|6.735867|8.827957|17.625191|8.845987|9.282321|4.688439|5.198440|4.031400|3.095335|2.965206|3.190116|4.228720|4.627474|6.825879|14.285703|89.856619|3.768318|0.068756|0.065212|0.078315|0.088957|0.089585|0.079043|0.094238|0.126435|0.197016|0.500000| |2.310031|2.715611|3.210590|3.998046|4.425972|3.353113|2.847185|7.567219|6.634224|9.077035|6.997880|0.115537|4.730509|24.575655|8.772932|6.813788|5.674090|6.819177|8.859662|17.494967|6.279693|4.021436|4.268343|2.965612|2.407257|2.221479|2.242501|2.667611|3.006190|3.806607|6.731027|66.840164|3.709068|0.060936|0.058411|0.064978|0.081449|0.099629|0.085627|0.080662|0.139657|0.130967|0.173990|0.500000| |1.423605|1.471381|1.608144|1.639646|1.682594|1.528592|1.502801|2.311609|1.829407|2.385355|2.152063|0.041114|1.554613|9.850982|2.140845|2.275147|2.757706|3.144687|2.812867|2.305988|5.646691|4.692154|9.686198|8.866223|17.538337|8.852450|6.675112|5.612719|6.773640|4.542063|6.555733|216.038339|3.922516|0.038515|0.037145|0.041892|0.043240|0.042109|0.039527|0.044509|0.058574|0.077012|0.078457|0.062315|0.500000| |1.425188|1.448062|1.586857|1.584280|1.588179|1.449120|1.451260|2.137646|1.645546|2.127264|1.959279|0.037434|1.440599|9.292223|1.892642|1.931423|2.253585|2.547554|2.457218|2.054003|4.249123|3.254111|5.626606|5.503581|8.803090|17.591625|8.845140|5.484110|4.856868|3.538617|5.577846|218.167633|2.729989|0.039005|0.037076|0.042122|0.043304|0.040755|0.037583|0.042943|0.050053|0.064138|0.070509|0.054919|0.214595|0.500000| |1.950591|1.981967|2.181355|2.136663|2.206442|2.001112|2.036809|2.878909|2.254625|2.757652|2.477732|0.046537|1.855401|11.644798|2.730691|2.766688|3.434579|3.731191|3.629436|2.861884|6.328431|3.848828|5.664970|5.481705|4.818657|5.478554|8.812549|17.650726|8.817330|6.908801|13.127964|217.277577|3.130291|0.052018|0.050161|0.059551|0.057634|0.053056|0.050184|0.062757|0.071893|0.107813|0.115942|0.071619|0.126068|0.123323|0.500000| |1.611318|1.763581|1.938045|2.133276|2.324739|2.044700|1.870084|3.501162|3.058338|4.268565|3.527459|0.066699|2.363546|13.995424|3.737558|4.696871|5.837913|6.823155|4.588227|3.979320|9.312168|8.714788|7.719495|4.173612|3.279522|2.695011|2.628468|3.032628|3.953548|4.695420|6.950787|83.596048|17.614482|0.042727|0.042052|0.046294|0.050505|0.054938|0.052898|0.054442|0.111168|0.127653|0.107499|0.118671|0.089741|0.066654|0.078884|0.500000| |1.450639|1.562223|1.711499|1.847732|1.962522|1.749086|1.631810|2.884125|2.413958|3.346256|2.888424|0.055267|1.972254|12.046571|2.849702|3.320379|4.009610|4.722004|3.603183|3.084025|7.588020|8.895347|10.054185|4.749057|3.881721|3.001041|2.794214|3.077584|4.059239|4.246926|6.098585|89.835530|17.574649|0.038820|0.037949|0.041745|0.045247|0.047938|0.045598|0.047437|0.082080|0.096823|0.088573|0.090405|0.108365|0.074911|0.077801|0.301946|0.500000| |1.541681|1.657160|1.800571|1.928247|2.091730|1.879259|1.759450|3.043451|2.605047|3.502512|2.966452|0.056566|2.040549|12.331530|3.159497|3.884577|5.148041|5.538876|3.879426|3.250710|9.434016|8.830370|9.618702|4.882569|3.861949|3.062065|3.024462|3.460533|4.778516|5.287043|7.507283|100.790987|17.545954|0.040850|0.040411|0.044742|0.047017|0.049488|0.048379|0.051838|0.097516|0.125098|0.098205|0.091360|0.111587|0.075642|0.090097|0.301805|0.299911|0.500000| |8.920742|17.487303|8.925280|6.881688|5.742129|6.873333|8.924825|5.701116|3.279999|3.812324|4.130373|0.077587|3.859322|30.016088|2.959405|2.427372|2.197434|2.144010|2.481841|2.820281|2.602404|1.700273|2.119872|1.604482|1.445024|1.458354|1.543228|1.738439|1.714131|1.930971|3.773344|47.661230|1.597485|0.213248|0.213178|0.173493|0.214926|0.202658|0.201834|0.174410|0.066930|0.063263|0.072978|0.071231|0.038239|0.037599|0.049829|0.046338|0.041175|0.043272|0.500000| |6.935215|8.848985|17.472148|8.814923|6.824326|5.669277|6.829386|6.287979|3.808747|4.162796|4.149509|0.074516|3.711225|24.309686|3.911384|3.036404|2.868046|2.889202|3.601511|3.932407|3.491823|2.190330|2.712264|2.107935|1.854273|1.892665|2.038113|2.382120|2.304069|2.665664|5.410051|60.674746|1.977737|0.171768|0.140974|0.205592|0.303535|0.173483|0.131088|0.201625|0.080361|0.084991|0.113902|0.092107|0.048301|0.047836|0.068678|0.056752|0.050132|0.053289|0.174391|0.500000| |4.061996|5.468555|8.808935|17.540979|8.851190|5.487571|4.843483|9.559306|4.966245|5.593211|5.853931|0.099418|5.591701|34.698746|4.794882|3.461506|3.091235|3.239570|4.249693|5.369046|3.721079|2.384821|2.865941|2.165194|1.876819|1.862363|1.937592|2.252297|2.275652|2.670336|5.157537|57.396656|2.165251|0.108531|0.094580|0.108407|0.212451|0.303528|0.139180|0.126922|0.087599|0.085907|0.121696|0.129126|0.048564|0.046942|0.062725|0.063616|0.055085|0.056825|0.140576|0.214368|0.500000| |4.268736|5.823734|7.069623|9.032789|17.601527|8.982420|7.023172|12.774002|7.469569|6.647267|6.210740|0.105261|5.752052|31.136632|7.256967|4.733933|3.999945|3.762831|4.703277|6.008155|4.170800|2.547751|3.019070|2.260242|1.934250|1.904543|2.037748|2.425562|2.484055|3.036525|6.180226|61.929376|2.356572|0.102922|0.102801|0.120657|0.143506|0.175600|0.175240|0.207473|0.125160|0.116764|0.142516|0.131240|0.050892|0.047817|0.069698|0.069812|0.058490|0.063434|0.135380|0.209443|0.217562|0.500000| |4.065823|5.472278|4.850789|5.482595|8.823254|17.519653|8.824076|9.535048|6.053295|6.063415|6.089353|0.112143|5.599296|33.500987|4.740847|3.807837|3.133088|2.788033|3.094625|3.731071|3.212415|2.042125|2.465681|1.814388|1.595154|1.566287|1.670850|1.926805|1.978490|2.328937|4.620636|52.768876|1.974181|0.094641|0.108587|0.108581|0.106734|0.138891|0.303061|0.215132|0.112907|0.090571|0.089530|0.092090|0.042768|0.040028|0.055790|0.058731|0.049741|0.054156|0.140453|0.127338|0.123407|0.215807|0.500000| |6.895526|8.813321|5.506992|4.834557|5.508316|8.851372|17.532923|5.575319|3.507781|3.919394|4.044298|0.076974|3.609962|25.447793|3.153210|2.661674|2.389099|2.218144|2.475606|2.776411|2.687228|1.730509|2.152773|1.619416|1.454466|1.460760|1.569843|1.781294|1.767627|2.011406|4.004555|49.572958|1.649014|0.140917|0.206379|0.168700|0.123334|0.126561|0.214942|0.303570|0.076698|0.070452|0.073672|0.069184|0.038953|0.037656|0.052022|0.047916|0.042110|0.045427|0.214948|0.139930|0.106658|0.142681|0.212592|0.500000| |2.790934|3.447909|3.591602|4.429555|6.686636|5.960269|4.261260|12.400132|17.516063|12.478831|9.256626|0.157628|6.795136|31.646985|8.922587|6.981946|4.629555|3.844041|4.091563|5.451995|4.091828|2.574718|2.974915|2.116723|1.812943|1.728087|1.820181|2.128000|2.289457|2.801097|5.424341|57.473173|2.553152|0.069389|0.073057|0.077322|0.084276|0.111576|0.142843|0.118858|0.214875|0.124015|0.110110|0.137169|0.048678|0.043755|0.060618|0.079074|0.063022|0.069346|0.090183|0.099488|0.116097|0.188572|0.202598|0.104805|0.500000| |2.242517|2.689391|3.008625|3.852476|4.604902|3.675815|2.921042|9.373640|9.429408|25.917846|13.390551|0.200837|6.760598|31.061508|7.606371|6.469915|4.522678|4.409411|4.740539|7.172420|4.494890|2.997257|3.335573|2.297669|1.943965|1.807975|1.835718|2.122968|2.350893|2.851789|5.144455|56.795107|3.001098|0.058537|0.057940|0.061678|0.075434|0.101738|0.097459|0.079991|0.151260|0.107327|0.111503|0.252383|0.051513|0.045632|0.058180|0.097319|0.075123|0.076909|0.072628|0.082479|0.114198|0.124770|0.104584|0.072458|0.184642|0.500000| |3.013650|3.609480|4.112429|4.804355|6.575365|4.987202|4.215808|9.184707|8.995151|7.658834|6.008081|0.102387|4.669428|24.319820|17.540168|8.990588|7.025875|5.856271|7.035721|8.948877|5.815236|3.323540|3.757707|2.747692|2.266025|2.170610|2.333079|2.867072|3.092887|4.082152|8.465828|71.282660|3.082409|0.075243|0.075808|0.087805|0.095445|0.109464|0.112467|0.130103|0.215066|0.207142|0.208494|0.173988|0.059913|0.053739|0.082297|0.093171|0.073632|0.083306|0.088733|0.126153|0.136779|0.256326|0.146336|0.098340|0.222062|0.149569|0.500000| |2.071905|2.386633|2.611892|3.062089|3.699797|3.146786|2.660760|6.214998|6.824988|9.669034|6.360420|0.113871|3.990332|21.034647|8.798337|17.514580|8.825229|6.766527|5.648983|6.807632|6.246302|3.960274|4.174909|2.773585|2.277570|2.066169|2.127010|2.515630|2.925437|3.743076|6.670695|67.078676|4.197218|0.053561|0.053940|0.058759|0.065192|0.077792|0.079769|0.076783|0.304227|0.173505|0.130831|0.201095|0.061313|0.051628|0.069427|0.144896|0.098116|0.110161|0.062556|0.075242|0.089282|0.111451|0.093971|0.066908|0.169236|0.215995|0.174745|0.500000| |1.923155|2.123880|2.302651|2.521550|2.917636|2.585704|2.348169|4.333413|4.075419|5.155019|4.041884|0.075171|2.766019|15.833198|5.487434|8.833910|17.540604|8.851111|5.487011|4.846131|9.534888|5.421002|5.569160|3.594793|2.847853|2.516605|2.654780|3.237550|4.049320|5.546447|9.519064|85.940728|5.955179|0.049808|0.050222|0.055975|0.058121|0.063279|0.064697|0.070265|0.212214|0.303181|0.138606|0.127674|0.078492|0.061996|0.090297|0.191043|0.124824|0.177070|0.054697|0.068657|0.073288|0.091594|0.076823|0.059766|0.110403|0.110131|0.142475|0.215612|0.500000| |1.940142|2.169111|2.458962|2.779039|3.060009|2.555648|2.299398|4.682152|4.197082|5.613180|4.451218|0.080495|3.020375|17.146463|5.809524|6.987654|8.983555|17.576139|9.038033|7.032068|12.697961|7.909128|6.764228|4.237765|3.184672|2.755808|2.758122|3.360111|4.243038|5.794206|8.955512|82.942089|7.191900|0.051200|0.049820|0.055860|0.063231|0.069784|0.064930|0.067275|0.142165|0.175390|0.175634|0.209153|0.083131|0.066757|0.087943|0.249853|0.151632|0.161479|0.056341|0.072815|0.085148|0.094261|0.072580|0.057488|0.102283|0.133658|0.136858|0.205611|0.216768|0.500000| |2.268671|2.540605|3.062614|3.441287|3.522184|2.789653|2.577289|5.056765|4.025625|5.013497|4.307625|0.076141|3.156821|18.315359|5.496733|4.845778|5.487615|8.845499|17.523883|8.834333|9.526190|5.574674|5.868130|4.373394|3.294447|3.042683|3.057471|3.840410|4.387491|5.833241|9.757700|84.779998|4.243928|0.060689|0.056686|0.065807|0.079888|0.083574|0.070188|0.075671|0.106692|0.138850|0.302857|0.216266|0.081408|0.072262|0.098485|0.122128|0.101810|0.102844|0.065003|0.093237|0.112789|0.110765|0.075552|0.062764|0.095013|0.117041|0.142560|0.126987|0.123585|0.218485|0.500000| |2.875124|3.483497|4.453185|5.845758|6.186706|4.163222|3.563099|9.444863|6.772243|7.518332|6.545009|0.106850|5.190813|27.283831|8.788568|5.490040|4.823319|5.499211|8.842801|17.577475|5.570229|3.413367|3.839350|2.827200|2.326608|2.228229|2.298983|2.769165|2.961897|3.731184|7.053160|67.284727|3.025314|0.075536|0.070557|0.081197|0.109957|0.133142|0.102611|0.101518|0.123001|0.125711|0.214791|0.304344|0.059743|0.054985|0.075594|0.091270|0.074533|0.077226|0.088897|0.130684|0.209577|0.193348|0.108377|0.082946|0.140320|0.172221|0.212831|0.139778|0.106611|0.143172|0.212897|0.500000| |1.698680|1.843576|2.087302|2.269231|2.364517|2.029313|1.896197|3.446112|2.836318|3.816771|3.290239|0.061160|2.296725|13.841204|3.530153|3.821942|4.747333|7.165060|5.670450|4.260470|12.532157|17.532286|12.649643|6.712816|4.606079|3.629642|3.352908|3.946915|5.326940|6.056584|8.130166|96.542019|8.890522|0.045640|0.043687|0.049118|0.055308|0.057814|0.052336|0.055373|0.089100|0.114650|0.131023|0.123450|0.114225|0.085775|0.095531|0.212420|0.213446|0.173809|0.048119|0.061999|0.069790|0.071611|0.056616|0.047981|0.071369|0.087897|0.091120|0.108766|0.128971|0.228891|0.179507|0.101933|0.500000| |1.502211|1.586584|1.740314|1.821987|1.913516|1.716489|1.647230|2.700811|2.210459|2.916656|2.557485|0.048635|1.808638|11.184798|2.656704|2.973411|3.802938|4.492559|3.576396|2.863551|8.955867|9.440528|25.870959|9.462038|7.153486|4.701320|4.314929|4.716583|7.261185|6.009825|7.828841|138.792853|7.858632|0.040249|0.039165|0.043925|0.046141|0.046652|0.044231|0.048702|0.074837|0.100795|0.094725|0.078728|0.215131|0.111712|0.112629|0.151910|0.206598|0.227145|0.041278|0.052026|0.054186|0.058131|0.048548|0.042463|0.058406|0.063887|0.072395|0.081481|0.113444|0.122218|0.101389|0.071065|0.185045|0.500000| |1.718427|1.810132|2.053732|2.129257|2.153592|1.878507|1.826408|2.970088|2.337803|3.016727|2.697909|0.050420|1.961756|12.201154|2.848772|2.905901|3.576782|4.711606|4.474134|3.326994|9.035865|7.280249|12.627465|17.493479|8.925650|6.861023|5.726860|6.795952|8.883059|6.970134|9.137954|135.993738|4.670137|0.046606|0.043979|0.050541|0.055242|0.053812|0.048184|0.054073|0.071190|0.097585|0.122279|0.089021|0.174483|0.140437|0.139615|0.110522|0.120701|0.117408|0.046719|0.062379|0.065155|0.065946|0.051766|0.046304|0.060141|0.066769|0.078929|0.077798|0.094883|0.121752|0.142473|0.085975|0.201953|0.183011|0.500000| |1.420809|1.474994|1.631744|1.674663|1.691310|1.519218|1.487186|2.335028|1.825477|2.404470|2.188012|0.041696|1.580780|10.059528|2.124489|2.208877|2.612698|3.102927|2.879866|2.363174|5.406424|4.724721|9.543996|8.879982|17.568496|8.822945|5.475313|4.819383|5.509947|4.103573|5.957426|148.493513|3.780268|0.038751|0.036883|0.041543|0.044302|0.043181|0.039510|0.043661|0.056062|0.071458|0.078777|0.064778|0.303068|0.210627|0.106421|0.088159|0.108015|0.099951|0.038521|0.048751|0.050219|0.050746|0.042087|0.038378|0.047899|0.052526|0.058714|0.060319|0.072782|0.084194|0.087077|0.061909|0.126366|0.173995|0.217644|0.500000| |1.587993|1.623185|1.812800|1.813431|1.797970|1.612462|1.612495|2.412211|1.844722|2.369303|2.180240|0.041271|1.612552|10.344114|2.150651|2.150463|2.516886|2.959751|2.955753|2.403091|4.970223|3.727112|6.267017|6.813271|8.850928|17.482566|9.011297|6.775838|5.694621|4.189862|6.529477|168.994470|2.945838|0.043591|0.040865|0.047009|0.049631|0.046287|0.041653|0.047754|0.054804|0.071450|0.085389|0.063776|0.173767|0.303147|0.139405|0.072554|0.079424|0.079129|0.041960|0.055071|0.054519|0.054439|0.044162|0.041391|0.048415|0.051230|0.061105|0.057216|0.067510|0.076750|0.089686|0.064828|0.101573|0.114806|0.202613|0.215274|0.500000| |1.668614|1.672064|1.834602|1.788686|1.792725|1.639831|1.674998|2.352800|1.799361|2.263626|2.082740|0.039525|1.557381|10.021534|2.091708|2.094346|2.460385|2.724828|2.712328|2.240885|4.471915|3.088511|4.882045|4.848636|5.473722|8.826872|17.676081|8.839284|5.503361|4.084056|6.967554|263.255159|2.565781|0.045473|0.043145|0.050257|0.049815|0.045347|0.041989|0.050419|0.054608|0.072927|0.082017|0.058037|0.138003|0.212229|0.211043|0.064299|0.067349|0.072129|0.042751|0.056522|0.052698|0.054892|0.045181|0.043259|0.048134|0.048010|0.061212|0.054458|0.066009|0.068454|0.077783|0.060631|0.080472|0.096467|0.128345|0.123257|0.218611|0.500000| 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