Version2.4 2021-06-07T06:09:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)c2c(n3c(n2)nc([n-]3)N[C@@H](c4ccccc4)C(=O)c5ccccc5)c6ccccc6 C17005552 RHF 6-31G(d) (6D,7F) c1ccc(cc1)c2c(n3c(n2)nc([n-]3)N[C@@H](c4ccccc4)C(=O)c5ccccc5)c6ccccc6 C01[X(C30H22N5O1)] 168 C1 584 O=C([C@H](c1ccccc1)Nc1nc2n([n-]1)c(c(n2)c1ccccc1)c1ccccc1)c1ccccc1 O=C([C@H](c1ccccc1)Nc1nc2n([n-]1)c(c(n2)c1ccccc1)c1ccccc1)c1ccccc1 O=C([C@@H](Nc1[n-]n2c(n1)nc(c3ccccc3)c2c4ccccc4)c5ccccc5)c6ccccc6 InChIKey=TWFCBMRHLKIGHU-SANMLTNESA-N InChI=1S/C30H22N5O/c36-28(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)31-29-33-30-32-25(21-13-5-1-6-14-21)27(35(30)34-29)23-17-9-3-10-18-23/h1-20,26H,(H-,31,32,33,34)/q-1/t26-/m0/s1 InChI=1/C30H22N5O/c36-28(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)31-29-33-30-32-25(21-13-5-1-6-14-21)27(35(30)34-29)23-17-9-3-10-18-23/h1-20,26H,(H-,31,32,33,34)/q-1/t26-/m0/s1/f/h31H c1ccc(cc1)c2c(n3c(n2)nc([n-]3)N[C@@H](c4ccccc4)C(=O)c5ccccc5)c6ccccc6 C01[X(C30H22N5O1)] 168 C01 584 O=C([C@H](c1ccccc1)Nc1nc2n([n-]1)c(c(n2)c1ccccc1)c1ccccc1)c1ccccc1 O=C([C@H]([C]1[CH][CH][CH][CH][CH]1)N[C]1[N][N@@]2[C]([N]1)[N][C]([C]2[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1 O=C([C]1[CH][CH][CH][CH][CH]1)[C@@H](N[C]2[N][C]3[N][C]([C]4[CH][CH][CH][CH][CH]4)[C]([C]5[CH][CH][CH][CH][CH]5)N3[N]2)[C]6[CH][CH][CH][CH][CH]6 InChIKey=ISTKHKYCTZXATO-SANMLTNESA-N InChI=1S/C30H22N5O/c36-28(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)31-29-33-30-32-25(21-13-5-1-6-14-21)27(35(30)34-29)23-17-9-3-10-18-23/h1-20,26H,(H,31,32,33)/t26-/m0/s1 InChI=1/C30H22N5O/c36-28(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)31-29-33-30-32-25(21-13-5-1-6-14-21)27(35(30)34-29)23-17-9-3-10-18-23/h1-20,26H,(H,31,32,33)/t26-/m0/s1/f/h31H 3407.1322134832 -1495.9964106 1-A 23149.2922 123 461 584 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116.4085 120.8973 156.4385 166.4939 179.8709 189.5735 201.0793 248.8342 253.7115 281.5519 295.3928 302.2420 346.8458 356.4413 371.5995 389.2495 434.0463 447.0957 454.1785 456.7838 458.3192 462.8351 471.3070 514.1853 535.2905 560.5814 574.5787 589.3251 647.8013 668.3211 677.0750 678.0411 678.9225 679.8971 702.5189 722.4437 739.0924 752.2041 759.0839 772.3238 776.5848 777.9860 778.3033 782.9228 820.0306 826.2093 846.8730 853.6494 860.7809 874.1584 881.5244 915.0617 938.6488 953.1620 956.4975 958.0290 959.3519 963.1996 1007.3354 1028.5393 1035.5550 1050.5141 1066.5296 1076.9560 1086.9503 1087.1724 1091.0128 1091.2306 1096.9011 1099.1867 1101.6797 1106.1492 1106.8962 1107.8749 1112.3919 1122.1665 1127.8324 1128.1177 1131.3543 1135.7683 1137.1003 1152.9568 1180.5917 1185.4267 1185.8497 1187.3629 1209.8203 1211.2664 1213.9720 1228.1038 1237.3651 1260.4975 1295.8146 1296.8588 1300.3961 1304.9341 1306.9561 1310.2460 1321.7879 1325.8876 1326.3733 1342.5958 1351.4873 1356.1231 1424.5509 1445.5118 1464.7103 1467.5471 1479.2346 1485.8189 1509.7727 1511.4580 1554.1254 1597.6836 1601.1723 1610.5461 1612.5446 1622.4936 1637.5399 1644.9972 1669.3645 1670.0745 1671.5827 1707.9656 1739.8029 1748.7378 1771.2882 1775.2254 1782.1233 1783.2240 1804.6293 1807.1695 1808.1477 1808.3597 1973.3900 3327.1959 3330.5276 3331.4665 3342.2275 3344.5125 3345.2875 3350.2035 3357.3941 3362.1752 3363.6266 3366.5759 3371.4106 3379.4235 3382.6697 3391.1598 3396.7839 3399.2148 3403.9994 3409.6329 3412.7074 3414.0057 3851.3449 6.2149 5.7615 6.0061 4.2897 4.5922 3.9589 4.2945 4.5349 5.9003 4.5910 5.5436 7.3800 7.3816 8.1599 5.3758 5.3914 6.3995 5.0827 5.3899 5.2273 4.8155 5.6009 6.6874 6.0431 7.0207 7.0177 5.9400 7.6209 6.3571 2.9364 2.9776 3.0351 2.9953 4.5911 5.5223 4.0133 3.7473 3.6521 3.2983 6.3291 3.5578 6.4076 6.3251 6.2639 6.1171 2.4267 5.8265 6.1018 5.6858 3.0696 4.1572 2.6860 2.0804 1.8685 1.8507 3.0491 7.1123 1.7853 1.9465 2.0844 2.8079 9.2058 7.3357 4.4379 1.2501 1.2658 1.9761 1.9647 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976.82 978.22 1010.77 1039.44 1063.39 1082.25 1092.15 1111.20 1117.33 1119.35 1119.80 1126.45 1179.84 1188.73 1218.46 1228.21 1238.47 1257.72 1268.32 1316.57 1350.51 1371.39 1376.19 1378.39 1380.29 1385.83 1449.33 1479.84 1489.93 1511.46 1534.50 1549.50 1563.88 1564.20 1569.72 1570.04 1578.20 1581.48 1585.07 1591.50 1592.58 1593.98 1600.48 1614.55 1622.70 1623.11 1627.77 1634.12 1636.03 1658.85 1698.61 1705.56 1706.17 1708.35 1740.66 1742.74 1746.63 1766.97 1780.29 1813.57 1864.39 1865.89 1870.98 1877.51 1880.42 1885.15 1901.76 1907.66 1908.36 1931.70 1944.49 1951.16 2049.61 2079.77 2107.39 2111.47 2128.29 2137.76 2172.23 2174.65 2236.04 2298.71 2303.73 2317.22 2320.09 2334.41 2356.05 2366.78 2401.84 2402.86 2405.03 2457.38 2503.19 2516.04 2548.49 2554.15 2564.08 2565.66 2596.46 2600.11 2601.52 2601.83 2839.27 4787.09 4791.89 4793.24 4808.72 4812.01 4813.12 4820.20 4830.54 4837.42 4839.51 4843.75 4850.71 4862.24 4866.91 4879.12 4887.21 4890.71 4897.60 4905.70 4910.12 4911.99 5541.23 0.489110 0.515428 0.516373 0.427252 -1495.507301 -1495.480982 -1495.480038 -1495.569159 2.989133D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE c1ccc(cc1)c2c(n3c(n2)nc([n-]3)N[C@@H](c4ccccc4)C(=O)c5ccccc5)c6ccccc6 C17005552 RHF 6-31G(d) (6D,10F) C1 468.182435 |X|Y|Z| 133.411092 57.724177 44.929369 70.203700 35 6 7 30 5 |36.858105| |13.734691|36.858105| |7.921653|13.770684|36.858105| |6.788623|7.874308|13.648315|36.858105| |7.922198|6.898442|7.971796|13.669220|36.858105| |13.755546|7.972096|6.897218|7.873152|13.748042|36.858105| |4.444757|5.062491|7.674268|12.867411|7.549601|5.023650|36.858105| |3.596328|3.842091|5.083291|7.350471|5.960564|4.180140|13.753183|36.858105| |2.969183|3.228620|4.162449|5.268186|4.317810|3.298372|8.838719|13.803783|53.358707| |3.046073|3.447547|4.578443|5.420969|4.164504|3.258744|9.010860|8.621246|19.431452|36.858105| |3.774022|4.477954|6.555219|7.806062|5.226203|3.975461|13.961789|8.336278|11.762353|14.427629|53.358707| |2.527521|2.829724|3.547035|3.934360|3.222570|2.655627|5.496875|5.583349|11.824184|14.083176|10.378789|53.358707| |2.310216|2.517329|3.074714|3.492681|2.991680|2.470402|4.784513|5.547726|12.619280|9.180128|7.638563|19.449749|36.858105| |2.449305|2.622502|3.212342|3.822526|3.333795|2.686588|5.400044|7.367565|18.881757|8.533067|7.584900|11.385838|14.490916|53.358707| |1.978083|2.132766|2.520768|2.784169|2.461679|2.096065|3.547008|3.996568|7.630634|5.570292|5.486938|10.912767|13.709751|11.082828|53.358707| |1.845400|2.010663|2.350424|2.506001|2.204328|1.916435|3.083275|3.279844|5.837040|4.646706|4.900072|9.217630|7.861730|7.203716|17.996824|36.858105| |1.932496|2.124607|2.497623|2.637410|2.293382|1.994029|3.245028|3.325935|5.895300|5.066893|5.380622|10.770663|7.512563|6.748726|12.841099|17.679030|0.500000| |1.805650|1.985700|2.313020|2.414430|2.107963|1.851038|2.922752|3.078914|5.266700|4.162526|4.582616|7.534513|6.011455|6.209660|10.322623|12.413651|0.248456|36.858105| |1.932298|2.167369|2.546718|2.591628|2.213188|1.950149|3.119310|3.159960|5.282279|4.411216|5.028389|7.740558|5.381255|5.731821|7.643278|7.531883|0.203942|13.686363|36.858105| |1.844497|2.071450|2.395141|2.391304|2.057633|1.841162|2.787713|2.808865|4.458569|3.595940|4.333221|5.718900|4.050506|4.713669|5.623334|4.998050|0.133306|7.897871|13.752265|36.858105| |1.668826|1.844190|2.097604|2.114214|1.858907|1.675516|2.431849|2.508378|3.918378|3.016900|3.647579|4.685852|3.517596|4.254950|5.091003|4.402775|0.111056|6.821432|7.926518|13.749606|36.858105| |1.586062|1.729429|1.962529|2.016040|1.796265|1.612244|2.336983|2.469482|3.915490|2.935714|3.468522|4.641337|3.679700|4.444049|5.695292|4.971912|0.116808|7.892765|6.884582|7.960116|13.758755|36.858105| |1.640899|1.784129|2.043429|2.131903|1.897083|1.683982|2.522431|2.698340|4.439308|3.332284|3.795958|5.545348|4.593126|5.267288|7.831856|7.449925|0.156127|13.694019|7.957884|6.891725|7.932514|13.746011|36.858105| |1.623590|1.744187|1.993059|2.115624|1.909013|1.686628|2.516155|2.673425|4.512335|3.468550|3.870012|6.170768|5.159351|5.455162|10.742909|12.475307|0.247312|7.605697|5.140752|3.937494|3.753052|4.447763|6.474806|36.858105| |1.547781|1.644382|1.865501|1.998791|1.830778|1.620100|2.362141|2.563077|4.265604|3.137358|3.528553|5.306034|4.658338|5.283226|9.593178|8.027316|0.166817|5.886586|4.165038|3.397812|3.385792|4.132641|5.818390|15.913887|73.516695| |1.516381|1.631135|1.840532|1.919133|1.738672|1.558610|2.226725|2.299053|3.749866|2.957050|3.442741|5.087944|3.893680|4.273806|6.894371|7.265198|0.193652|5.703193|4.464528|3.583014|3.397839|3.851957|5.022568|12.652552|14.467017|36.858105| |1.377851|1.467228|1.634147|1.704182|1.567808|1.418332|1.944751|2.014016|3.207724|2.475797|2.943710|4.072935|3.146571|3.627815|5.370187|4.917135|0.130131|4.151008|3.402901|2.901841|2.847232|3.238691|3.987146|7.674725|12.291986|13.672965|36.858105| |1.293923|1.376949|1.518692|1.567125|1.447517|1.322955|1.760022|1.797211|2.807609|2.183988|2.659139|3.511094|2.633298|3.091600|4.261112|3.786918|0.104991|3.379452|2.943877|2.590335|2.536591|2.795190|3.256258|5.057678|8.188840|7.901647|13.789817|36.858105| |1.316540|1.410741|1.553922|1.584968|1.454564|1.334856|1.769759|1.778423|2.764435|2.192866|2.704320|3.523548|2.557260|2.982626|4.013449|3.628278|0.105242|3.333089|3.037209|2.686254|2.574548|2.743317|3.120814|4.442044|6.826818|6.842354|7.946486|13.726942|36.858105| |1.434407|1.553035|1.726208|1.751356|1.586111|1.448325|1.971668|1.962896|3.084569|2.502469|3.071365|4.113265|2.907511|3.306555|4.535109|4.313250|0.131143|3.987267|3.716378|3.196243|2.958278|3.085079|3.545214|4.996093|7.131723|7.906268|6.884695|7.940487|13.768853|36.858105| |1.552105|1.686946|1.902703|1.950464|1.749548|1.577077|2.244209|2.257646|3.644157|2.975160|3.538480|5.117467|3.653530|3.993379|5.960109|6.285513|0.194688|5.474978|4.801584|3.844601|3.486078|3.714411|4.556041|7.474631|9.388009|13.704708|7.944246|6.873922|7.936590|13.739404|36.858105| |3.355385|3.390287|4.131358|5.656570|5.484341|4.026531|7.228143|12.986039|10.386384|5.281558|6.945231|5.538762|4.341127|8.011519|4.651679|2.816346|0.077199|2.682899|2.693750|2.465065|2.278187|2.273805|2.449834|2.385076|4.177578|2.055322|1.837338|1.644407|1.611820|1.750809|1.990766|36.858105| |2.753030|2.741382|3.205726|4.100467|4.130377|3.254629|5.015523|7.663058|8.682799|4.456835|5.503456|5.090543|4.263020|8.146114|4.782309|2.817302|0.075606|2.631560|2.549073|2.319878|2.189735|2.243231|2.448768|2.444652|4.391224|2.080411|1.881245|1.670908|1.615075|1.733753|1.973628|13.623422|36.858105| |2.503188|2.439827|2.745031|3.369827|3.534736|2.944636|3.799776|5.065112|5.964332|3.375737|4.299515|4.024440|3.323383|5.862279|3.950575|2.402903|0.064089|2.282586|2.205856|2.051545|1.974848|2.031029|2.180691|2.146653|3.908317|1.851575|1.702205|1.523880|1.468153|1.559032|1.752635|7.869125|13.765043|36.858105| |2.625248|2.515365|2.767549|3.345846|3.609276|3.097338|3.557073|4.452879|5.040402|2.991706|3.967884|3.545581|2.828224|4.768209|3.382105|2.123705|0.057100|2.061595|2.030565|1.925686|1.857675|1.883083|1.981000|1.902061|3.433336|1.667637|1.537671|1.391337|1.350593|1.434609|1.597502|6.776310|7.912583|13.746944|36.858105| |3.126334|2.983660|3.295096|4.039854|4.404094|3.733127|4.134314|5.046976|5.320408|3.205761|4.414048|3.686227|2.851630|4.745949|3.336297|2.123641|0.057768|2.086756|2.101855|2.007018|1.911941|1.902496|1.982863|1.873897|3.329526|1.654546|1.513374|1.375744|1.348356|1.443797|1.606198|7.865161|6.894189|7.980722|13.744646|36.858105| |3.658483|3.594493|4.200723|5.529995|5.752992|4.431198|5.873153|7.604621|6.990301|4.086949|5.750730|4.453616|3.382401|5.740771|3.794425|2.394393|0.065790|2.344721|2.393992|2.258126|2.106888|2.075266|2.179444|2.062788|3.613756|1.811965|1.635148|1.481083|1.459559|1.579377|1.771369|13.631501|7.962724|6.903333|7.919952|13.770242|36.858105| |17.692525|8.884767|5.633340|4.906140|5.633153|8.893641|3.552372|2.996155|3.461177|2.602888|4.253857|3.018414|2.044081|2.929264|2.422601|1.674243|0.048584|1.643769|1.754166|1.687617|1.538464|1.463106|1.505869|1.489503|2.531713|1.401464|1.282163|1.211074|1.233577|1.337520|1.435796|2.858186|2.416515|2.244339|2.370402|2.778450|3.126179|0.500000| |8.905988|17.687430|8.935701|5.620054|4.962895|5.655922|4.128982|3.253825|3.871369|3.077295|5.289118|3.548913|2.313499|3.224757|2.710235|1.908714|0.056154|1.904527|2.097725|2.029396|1.805374|1.678812|1.716907|1.664965|2.781361|1.572931|1.417466|1.339173|1.380535|1.521540|1.640057|2.895215|2.401359|2.163358|2.229314|2.603673|3.054033|0.214190|0.500000| |5.636268|8.904050|17.749128|8.956966|5.673066|4.967252|7.181317|4.838770|5.775153|4.955086|9.911839|5.287620|3.258116|4.492433|3.624814|2.528287|0.075401|2.522364|2.850736|2.685212|2.303318|2.121120|2.200002|2.114161|3.475153|1.958891|1.721715|1.600345|1.649724|1.852710|2.049797|3.816023|3.019982|2.575613|2.563175|2.994714|3.770746|0.123860|0.214970|0.500000| |5.647629|4.967142|5.660098|8.917094|17.738611|8.938741|6.954718|6.411236|6.162821|4.121560|6.572164|4.377238|3.079836|4.809701|3.453280|2.228803|0.063817|2.104537|2.168783|2.002362|1.826497|1.788563|1.904308|1.942849|3.346194|1.754556|1.589249|1.459897|1.454869|1.576677|1.744481|6.453144|4.917560|4.166465|4.188595|5.015398|6.507577|0.124131|0.107726|0.124594|0.500000| |8.909362|5.654376|4.962489|5.621382|8.931543|17.689448|4.093083|3.635572|3.989919|2.846764|4.535743|3.234069|2.250131|3.342367|2.639497|1.771170|0.050888|1.705498|1.777612|1.682478|1.547272|1.499716|1.565981|1.578728|2.716615|1.462125|1.341689|1.254302|1.260737|1.357754|1.471395|3.672971|3.094463|2.889857|3.081913|3.646225|4.080774|0.214251|0.124119|0.107733|0.216356|0.500000| |1.880590|2.007129|2.346385|2.601108|2.339232|2.002191|3.259780|3.780981|6.924042|4.687078|4.817779|8.089528|9.510563|10.515352|26.021102|9.204937|0.182550|6.769840|4.931757|3.876574|3.701133|4.318040|5.958883|7.109957|13.266549|4.574537|3.754374|2.972672|2.744733|3.016039|3.846675|3.397257|3.616025|3.040483|2.575346|2.494736|2.785403|0.047220|0.052054|0.068130|0.067562|0.051867|0.500000| |2.097860|2.385276|2.846357|2.872223|2.405271|2.106885|3.496239|3.420953|5.771089|5.203405|5.940700|9.517317|5.768860|5.950804|7.512147|7.056553|0.225194|8.935999|17.737442|8.908616|5.641248|4.960478|5.661409|4.744383|6.783476|4.249521|3.245509|2.852472|2.994957|3.723282|4.759515|2.817553|2.615652|2.233074|2.057173|2.150961|2.487873|0.052549|0.064086|0.090147|0.064858|0.052865|0.127980|0.500000| |1.909256|2.171062|2.502321|2.439642|2.082613|1.879551|2.790862|2.737833|4.225217|3.463856|4.349402|5.285603|3.597184|4.287111|4.788983|4.086992|0.114104|5.631996|8.933280|17.706337|8.908673|5.652280|4.960963|3.302954|5.128770|3.097431|2.564933|2.344424|2.467798|2.928471|3.395671|2.394136|2.214567|1.965636|1.870001|1.974800|2.229819|0.048604|0.059770|0.079171|0.055588|0.047467|0.091275|0.215285|0.500000| |1.599877|1.764885|1.983107|1.979232|1.752414|1.596283|2.232734|2.288245|3.481078|2.659075|3.297641|4.000185|2.977920|3.708451|4.224776|3.525818|0.090927|4.923869|5.637592|8.901200|17.700518|8.905857|5.639966|3.113286|5.106362|2.891224|2.499896|2.275916|2.319879|2.621173|2.979801|2.108952|2.021426|1.848346|1.761666|1.819907|1.986369|0.041220|0.048337|0.060328|0.047659|0.041062|0.086054|0.124007|0.214464|0.500000| |1.475665|1.595353|1.790400|1.840943|1.661479|1.501985|2.105485|2.236088|3.477232|2.561353|3.069248|3.950738|3.156356|3.936670|4.866691|4.061692|0.096630|5.628697|4.956726|5.651056|8.909533|17.700524|8.925174|3.870378|6.713529|3.421935|3.013632|2.633359|2.550171|2.782413|3.241637|2.102660|2.097760|1.932361|1.800689|1.805393|1.939683|0.038023|0.043078|0.053242|0.046128|0.039065|0.105215|0.107632|0.124112|0.214524|0.500000| |1.555945|1.673099|1.902236|2.003641|1.808992|1.608356|2.358652|2.557334|4.184647|3.063518|3.493813|5.030040|4.317499|5.080787|7.769934|6.899015|0.141196|8.897707|5.649322|4.962010|5.652131|8.944185|17.719831|7.135783|12.933433|5.238030|4.347592|3.433333|3.153496|3.445304|4.371651|2.365081|2.420341|2.177346|1.960262|1.931993|2.096956|0.039785|0.044578|0.056171|0.050927|0.041852|0.176769|0.124282|0.107665|0.124256|0.216390|0.500000| |1.344994|1.422485|1.581218|1.662381|1.541523|1.393080|1.897562|1.991946|3.164382|2.389148|2.830854|3.875593|3.084376|3.632955|5.332851|4.585734|0.116502|3.860647|3.121165|2.695056|2.694687|3.124066|3.852039|7.226352|14.026847|8.958839|17.756645|8.905131|5.644054|4.961261|5.663759|1.841021|1.911731|1.741224|1.564007|1.524713|1.635370|0.034787|0.038030|0.045937|0.043710|0.036766|0.107532|0.082036|0.066117|0.066134|0.082408|0.122108|0.500000| |1.213342|1.283485|1.405883|1.451742|1.352163|1.241965|1.617226|1.655432|2.556777|1.966869|2.415292|3.102375|2.341239|2.806087|3.735978|3.188849|0.087565|2.886807|2.542059|2.281830|2.263079|2.492409|2.844038|4.127783|7.090313|5.629506|8.930769|17.709512|8.900554|5.645286|4.951871|1.530905|1.564018|1.439414|1.317358|1.297249|1.386249|0.031668|0.034694|0.040914|0.037977|0.032868|0.073664|0.068412|0.057878|0.057210|0.066460|0.084192|0.214431|0.500000| |1.246906|1.333040|1.456380|1.477072|1.362315|1.259516|1.630577|1.629417|2.499242|1.978241|2.475974|3.117353|2.247668|2.664467|3.447969|3.022860|0.087813|2.835557|2.650378|2.400798|2.311383|2.427737|2.686975|3.551129|5.631969|4.935015|5.648600|8.901646|17.703750|8.919303|5.643934|1.484804|1.484722|1.358424|1.257367|1.257058|1.355173|0.032608|0.036392|0.042857|0.037771|0.033133|0.066023|0.073048|0.062295|0.058839|0.063446|0.075099|0.124020|0.214546|0.500000| |1.441399|1.568758|1.736489|1.740593|1.571318|1.443472|1.940282|1.904273|2.958848|2.428514|3.037212|3.930861|2.709121|3.107861|4.078402|3.783800|0.117504|3.626519|3.575813|3.147018|2.863931|2.886139|3.206329|4.070679|5.943358|5.635606|4.958037|5.643573|8.912842|17.716809|8.926631|1.692651|1.659049|1.493502|1.384836|1.403664|1.538568|0.037424|0.042989|0.052069|0.043074|0.037507|0.075231|0.101763|0.082259|0.071463|0.072261|0.084654|0.107664|0.124049|0.214827|0.500000| |1.674511|1.840658|2.097963|2.136821|1.887848|1.693424|2.481146|2.466329|4.021656|3.382234|4.002119|5.984465|4.083352|4.344786|6.438655|7.108583|0.245986|6.458896|6.085738|4.584294|3.909629|3.999149|4.884010|6.843970|8.547504|8.879115|5.640107|4.956235|5.662828|8.969348|17.762778|2.136321|2.085918|1.833690|1.675655|1.700999|1.896871|0.042811|0.049759|0.063600|0.051901|0.043544|0.111688|0.175146|0.112255|0.091148|0.093784|0.122504|0.124277|0.107569|0.124514|0.217108|0.500000| |2.537717|2.557882|3.002237|3.769232|3.699142|2.948424|4.769199|7.106757|9.617341|4.795755|5.581433|5.671047|5.009576|10.134631|5.606446|3.164580|0.084227|2.860760|2.704881|2.408827|2.270847|2.362348|2.640020|2.744964|4.973168|2.294574|2.068500|1.816423|1.741613|1.867782|2.146921|8.917951|17.756531|8.929576|5.640867|4.966300|5.660236|0.062212|0.062872|0.080035|0.119874|0.077735|0.118650|0.077030|0.063016|0.057544|0.061083|0.073289|0.058720|0.047103|0.044192|0.049227|0.062752|0.500000| |2.212913|2.158070|2.399552|2.874982|3.002670|2.565112|3.224122|4.128624|5.192032|3.019296|3.795682|3.724827|3.120175|5.377856|3.839459|2.334697|0.061749|2.200362|2.092740|1.944606|1.892656|1.972563|2.127991|2.128868|3.937158|1.834245|1.704108|1.522891|1.455276|1.532158|1.718112|5.620317|8.947537|17.689909|8.910145|5.658793|4.965671|0.055821|0.053802|0.063176|0.096810|0.070636|0.083394|0.058366|0.051405|0.049212|0.052575|0.059889|0.048865|0.040166|0.037414|0.040568|0.049446|0.216227|0.500000| |2.369153|2.254285|2.427875|2.850260|3.086862|2.751932|2.968251|3.557623|4.184399|2.562221|3.407490|3.104495|2.468434|4.045854|3.022841|1.924828|0.051648|1.877292|1.843653|1.763660|1.718667|1.747358|1.825225|1.750088|3.177649|1.546373|1.438861|1.308178|1.267642|1.337999|1.479516|4.899890|5.629142|8.885179|17.694954|8.886118|5.632483|0.060507|0.056222|0.062786|0.097514|0.077424|0.064255|0.051572|0.047621|0.045598|0.046854|0.050462|0.040782|0.034586|0.032906|0.035890|0.042853|0.124003|0.214126|0.500000| |3.131135|2.944191|3.144013|3.696875|4.078300|3.669535|3.604079|4.111746|4.474034|2.809365|3.939148|3.275733|2.495735|4.020702|2.964532|1.924512|0.052527|1.911482|1.941302|1.879002|1.797498|1.775581|1.828000|1.711195|3.033965|1.527669|1.403636|1.285109|1.264169|1.351170|1.491678|5.618471|4.960803|5.657796|8.905141|17.687841|8.945718|0.078716|0.072096|0.079130|0.123572|0.101253|0.061414|0.055096|0.051808|0.048011|0.047056|0.049365|0.039200|0.033752|0.032888|0.036651|0.043838|0.107714|0.124138|0.214039|0.500000| 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