Version2.4 2021-05-29T00:10:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1[C@@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCC=C C39898511 RHF 6-31G(d) (6D,7F) CCCCN1[C@@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCC=C C01[X(C25H25Cl1N3O4)] 168 C1 549 CCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OC)OCC=C)c([nH]n2)c1cc(Cl)ccc1[O-] CCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OC)OCC=C)c([nH]n2)c1cc(Cl)ccc1[O-] CCCCN1[C@H](c2ccc(OCC=C)c(OC)c2)c3c([nH]nc3C1=O)c4cc(Cl)ccc4[O-] InChIKey=MHRFOIBIZVOFJO-XMMPIXPASA-M InChI=1S/C25H26ClN3O4/c1-4-6-11-29-24(15-7-10-19(33-12-5-2)20(13-15)32-3)21-22(27-28-23(21)25(29)31)17-14-16(26)8-9-18(17)30/h5,7-10,13-14,24,30H,2,4,6,11-12H2,1,3H3,(H,27,28)/p-1/t24-/m1/s1 InChI=1/C25H26ClN3O4/c1-4-6-11-29-24(15-7-10-19(33-12-5-2)20(13-15)32-3)21-22(27-28-23(21)25(29)31)17-14-16(26)8-9-18(17)30/h5,7-10,13-14,24,30H,2,4,6,11-12H2,1,3H3,(H,27,28)/p-1/t24-/m1/s1/fC25H25ClN3O4/h30h,27H/q-1 CCCCN1[C@@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCC=C C01[X(C25H25Cl1N3O4)] 168 C01 549 CCCCN1C(=O)c2c([C@H]1c1ccc(c(c1)OC)OCC=C)c([nH]n2)c1cc(Cl)ccc1[O-] CCCCN1C(=O)[C]2[C]([C]([NH][N]2)[C]2[CH][C]([CH][CH][C]2[O])Cl)[C@H]1[C]1[CH][CH][C]([C]([CH]1)OC)OCC=C CCCCN1[C@H]([C]2[CH][CH][C](OCC=C)[C]([CH]2)OC)[C]3[C](N[N][C]3C1=O)[C]4[CH][C](Cl)[CH][CH][C]4[O] InChIKey=JLCCPVLKODFHAS-XMMPIXPASA-N InChI=1S/C25H25ClN3O4/c1-4-6-11-29-24(15-7-10-19(33-12-5-2)20(13-15)32-3)21-22(27-28-23(21)25(29)31)17-14-16(26)8-9-18(17)30/h5,7-10,13-14,24H,2,4,6,11-12H2,1,3H3,(H,27,28)/t24-/m1/s1 InChI=1/C25H25ClN3O4/c1-4-6-11-29-24(15-7-10-19(33-12-5-2)20(13-15)32-3)21-22(27-28-23(21)25(29)31)17-14-16(26)8-9-18(17)30/h5,7-10,13-14,24H,2,4,6,11-12H2,1,3H3,(H,27,28)/t24-/m1/s1/f/h27H 3490.5286230533 -1883.516455 1-A 18301.0868 123 426 549 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1562.8254 1573.9203 1579.9989 1586.6620 1595.3354 1607.1556 1629.3300 1636.1916 1638.8779 1640.8547 1644.1561 1647.6473 1650.8822 1657.7521 1660.3379 1668.6183 1682.9258 1692.4755 1702.1431 1710.6199 1779.1064 1790.4530 1817.7765 1821.0019 1885.1500 1962.4538 3178.4434 3179.6051 3192.8388 3205.4191 3210.3284 3212.6681 3225.8528 3229.5458 3249.4536 3250.8104 3256.0292 3279.1571 3282.6456 3283.7981 3312.7960 3324.9026 3346.7647 3354.2952 3355.3991 3368.9925 3381.4701 3400.0427 3403.7492 3418.4609 3923.9687 5.5763 4.7845 6.1150 4.3777 4.0216 4.3995 2.4059 3.1170 3.2550 4.8619 5.0038 4.0867 2.5367 3.0118 2.8160 9.7218 5.7488 4.8110 4.5545 6.5327 3.8515 2.0370 4.0523 1.2419 4.8063 4.0895 2.3995 2.4209 5.0678 7.5225 5.2544 4.3181 5.6703 5.8885 5.9552 10.4816 6.3166 5.8098 3.0328 2.8150 3.7378 3.4175 4.1463 2.4630 5.2616 1.7862 4.9198 5.7644 4.8120 5.7299 4.3940 7.9523 2.1273 3.6414 4.8676 1.9382 1.8293 7.2998 2.7440 2.8596 3.6702 2.5438 2.8435 4.6198 2.2779 2.8528 3.0496 2.9755 2.0192 1.7060 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58.6633 37.8135 38.0757 89.8583 24.2947 21.8790 39.3065 59.1423 36.6583 53.0046 19.2664 16.9996 15.9390 6.3544 44.6456 19.8768 17.4690 31.2974 18.6480 84.4881 4.2939 2.1166 1.8453 0.9392 1.6175 6.4442 0.3279 0.7670 1.9923 1.9854 0.6584 4.6091 1.7835 2.9330 0.8807 3.0921 1.4721 1.9405 0.7403 1.9368 1.5199 2.4356 0.7864 0.5716 0.4983 2.0576 1.4509 2.1509 1.7500 2.8995 0.8436 3.8856 1.3663 3.3483 2.0923 7.7620 2.8368 1.9196 1.4716 2.6766 2.1588 1.0792 2.0008 4.6553 2.3940 3.0087 0.3614 1.7646 6.5136 4.4806 2.8824 5.5697 7.4827 1.4898 3.1427 0.5206 0.5539 3.7728 0.1348 2.0261 10.9627 4.2712 0.7986 13.5636 12.5441 20.1935 15.1663 3.4216 11.1781 5.7680 6.0285 5.5724 1.6825 4.3953 4.3677 1.0707 1.7908 1.0916 2.0930 3.7709 1.6767 12.9988 5.7062 2.8636 15.7706 6.9246 7.4154 6.6495 9.9223 4.8781 5.3428 8.6989 5.3716 0.9111 2.0413 3.7525 2.3232 8.6136 6.6632 8.5801 10.0787 10.4319 2.5364 15.8619 2.3362 6.3003 75.5361 30.5827 2.6021 23.5413 31.5934 6.4102 8.2997 20.9026 4.0051 5.0296 6.9274 2.8760 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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 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 34.96885 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15457.2574 20150.8640 30363.6166 0.99974 0.02162 0.00780 -0.02155 0.99972 -0.00951 -0.00800 0.00934 0.99992 1 0.00560 0.00430 0.00285 0.11676 0.08956 0.05944 20.17 27.88 35.26 41.02 66.97 77.25 88.89 102.20 105.25 115.99 122.65 131.92 168.20 179.27 185.23 210.75 218.53 233.93 240.89 253.03 281.54 312.62 345.41 376.89 389.97 403.27 413.44 445.21 449.61 455.22 478.71 506.39 521.48 557.29 577.70 584.00 609.27 631.44 666.40 683.78 745.53 755.07 815.38 828.75 861.52 872.62 924.51 934.19 947.86 970.23 985.70 996.48 1017.85 1070.57 1103.10 1129.31 1143.12 1155.16 1172.25 1192.58 1223.25 1236.28 1253.14 1285.71 1307.35 1329.10 1331.36 1362.95 1398.85 1453.95 1467.00 1485.40 1493.29 1502.51 1509.05 1528.41 1538.78 1547.35 1564.14 1581.29 1587.18 1635.10 1653.93 1682.51 1689.14 1703.68 1721.81 1738.96 1762.03 1773.25 1780.09 1797.30 1831.00 1839.82 1846.93 1860.40 1870.20 1913.42 1922.48 1928.85 1933.95 1984.22 1991.55 2007.79 2019.38 2039.61 2044.84 2059.24 2084.01 2089.66 2091.49 2125.93 2149.43 2170.37 2182.52 2209.36 2213.25 2248.56 2264.52 2273.27 2282.85 2295.33 2312.34 2344.24 2354.11 2357.98 2360.82 2365.57 2370.60 2375.25 2385.14 2388.86 2400.77 2421.35 2435.09 2449.00 2461.20 2559.74 2576.06 2615.38 2620.02 2712.31 2823.53 4573.07 4574.74 4593.78 4611.88 4618.95 4622.31 4641.28 4646.60 4675.24 4677.19 4684.70 4717.98 4722.99 4724.65 4766.37 4783.79 4815.25 4826.08 4827.67 4847.23 4865.18 4891.90 4897.24 4918.40 5645.72 0.496389 0.525860 0.526804 0.432035 -1883.020066 -1882.990595 -1882.989651 -1883.084420 3.178568D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE CCCCN1[C@@H](c2c([nH]nc2C1=O)c3cc(ccc3[O-])Cl)c4ccc(c(c4)OC)OCC=C C39898511 RHF 6-31G(d) (6D,10F) C1 466.153359 |X|Y|Z| 97.880809 84.249414 40.279095 69.254508 20 6 7 17 3 |36.858105| |12.462698|36.858105| |7.477519|12.453316|36.858105| |4.877155|7.511027|12.460158|36.858105| |3.771794|4.952649|7.605499|13.140183|53.358707| |3.094717|3.853413|5.194011|7.444906|17.532573|36.858105| |2.931640|3.697400|4.642791|6.879008|12.315343|17.618984|0.500000| |2.620714|3.116790|4.027577|5.185598|11.336706|12.702519|0.248476|36.858105| |2.209633|2.545989|3.128377|3.781078|7.091109|6.967704|0.168568|13.889992|36.858105| |2.114745|2.401279|2.927025|3.430632|6.270600|5.230959|0.127460|8.889515|13.995228|53.358707| |1.910671|2.138835|2.545813|2.917433|5.064315|4.135739|0.104694|6.129896|9.071910|26.115834|0.500000| |2.334844|2.668022|3.320846|3.888818|7.311690|5.350565|0.126373|8.447170|8.350505|19.399582|0.263147|53.358707| |2.715860|3.208976|4.204313|5.243570|11.514523|8.032764|0.172172|13.713615|8.680644|12.641481|0.177074|19.924205|36.858105| |3.373750|4.168762|5.907847|7.788595|18.945975|7.916305|0.171770|8.122577|5.403054|7.347283|0.118987|10.031430|12.863626|36.858105| |3.550824|4.310745|5.849197|6.760292|11.354723|5.362129|0.127676|5.419037|4.135897|5.929918|0.101880|8.094828|7.814130|15.852296|73.516695| |1.960451|2.225506|2.640687|3.109262|5.360839|5.250442|0.139710|7.269487|12.986997|10.485311|0.192417|7.093463|5.214133|3.869564|5.607342|36.858105| |1.758491|1.952625|2.280835|2.585532|4.308443|3.903862|0.102801|5.061597|7.703394|8.775547|0.188318|6.083658|4.160659|3.197498|4.828859|13.689419|36.858105| |1.593707|1.754063|2.005564|2.245057|3.602458|3.204394|0.087095|3.821586|5.087119|6.034057|0.130381|4.615347|3.225730|2.626924|4.062796|7.898185|13.861259|36.858105| |1.577360|1.745446|1.972438|2.226638|3.502653|3.160028|0.089158|3.574909|4.478472|5.102943|0.105925|4.075030|2.958535|2.485258|3.846908|6.833367|7.959727|13.654364|36.858105| |1.714142|1.926844|2.184819|2.526216|3.985529|3.740900|0.109611|4.126289|5.042857|5.360800|0.106290|4.323041|3.259849|2.752785|4.191664|7.865523|6.899068|7.956149|13.940057|36.858105| |1.939820|2.221258|2.582184|3.085006|5.085976|5.120768|0.151144|5.936679|7.603577|7.019996|0.130844|5.481105|4.275931|3.470164|5.094365|13.222907|7.720214|6.674252|7.723070|13.241280|36.858105| |2.110334|2.470365|2.868743|3.560882|5.798001|6.127839|0.204761|6.283617|6.681502|6.318751|0.113810|5.323192|4.415892|3.759407|5.454205|8.042870|5.265873|4.646491|5.296212|8.108875|15.291093|73.516695| |1.421525|1.537838|1.736011|1.895029|2.976297|2.528779|0.068150|2.939294|3.666620|4.759859|0.106255|3.844881|2.632536|2.204826|3.505614|4.719053|6.976602|10.793266|6.942711|4.741971|4.124172|5.774756|448.794386| |3.112543|3.714114|4.898565|5.873877|10.364172|12.487018|0.248065|7.463489|5.479352|5.737489|0.097402|5.633359|5.424087|5.380308|7.335953|4.741744|3.738090|3.169279|3.151998|3.675328|4.734620|9.525250|20.347209|36.858105| |3.371992|3.838083|5.196769|5.340059|8.831072|7.485746|0.156909|5.722071|4.495103|5.137985|0.089046|5.229972|4.845503|5.025571|7.223242|3.894706|3.308119|2.834206|2.746595|3.048184|3.699331|6.978562|19.012414|13.846491|36.858105| |3.087176|3.328325|4.125689|4.009775|6.028754|4.982044|0.117139|4.160120|3.595898|4.208251|0.075745|4.182464|3.620465|3.684141|5.626225|3.346996|2.980893|2.655249|2.598190|2.826186|3.251509|5.989891|18.280438|7.919808|13.661114|36.858105| |2.696111|2.915255|3.421424|3.459554|5.075697|4.407924|0.111079|3.712704|3.351096|3.846847|0.070399|3.706767|3.138299|3.116899|4.793629|3.312260|2.964491|2.730835|2.755712|3.026931|3.377376|6.233898|18.688718|6.811090|7.906723|13.829359|36.858105| |2.549968|2.852240|3.323922|3.589540|5.324792|5.017362|0.133456|4.100697|3.723603|4.093414|0.074553|3.849982|3.286519|3.197559|4.824498|3.815018|3.282206|3.046153|3.189538|3.670604|4.147473|7.924245|20.050498|7.880879|6.870528|7.944924|13.568201|36.858105| |2.708134|3.158318|3.817997|4.451127|6.962716|7.574157|0.203460|5.545708|4.730585|4.917649|0.086879|4.608644|4.110693|3.955986|5.717855|4.670773|3.721787|3.314606|3.464247|4.181422|5.192131|10.708619|20.980371|13.634284|7.982056|6.910359|7.918744|13.826178|36.858105| |2.227821|2.455220|2.746184|2.949947|4.259684|3.867137|0.108098|3.330414|3.165136|3.550099|0.066229|3.304706|2.735959|2.646406|4.087956|3.395334|3.015244|2.934734|3.188834|3.654012|3.840738|7.235874|19.601097|5.179338|4.621961|5.292080|8.149511|14.103573|7.900289|73.516695| |2.037795|2.271920|2.512447|2.781948|4.030487|3.715313|0.109193|3.278380|3.205229|3.556643|0.066945|3.253300|2.663026|2.534198|3.914348|3.589340|3.152546|3.157761|3.625258|4.352074|4.373223|8.386941|20.601490|4.536969|3.819079|4.005043|5.259344|8.051209|6.790727|24.176854|36.858105| |2.415212|2.530720|2.848468|2.817419|4.024055|3.356775|0.087107|2.954002|2.758307|3.258954|0.060974|3.137355|2.578209|2.560744|4.050830|2.788963|2.589361|2.460447|2.496781|2.675107|2.855307|5.178175|17.394295|4.588708|5.174503|7.861930|14.039197|8.129973|5.275782|13.046711|4.780404|73.516695| |2.408155|2.438792|2.715093|2.586927|3.654148|2.912630|0.074757|2.620895|2.451515|2.986356|0.056310|2.921727|2.371025|2.383427|3.850611|2.435049|2.306733|2.187388|2.178235|2.285539|2.430439|4.366275|15.899366|3.784497|4.512298|6.735603|8.017079|5.241689|3.985620|8.487174|3.542290|24.258809|36.858105| |2.093009|2.098746|2.268725|2.176569|3.037033|2.405721|0.063189|2.201441|2.098493|2.584402|0.049423|2.516755|2.008825|2.011373|3.292679|2.120817|2.041186|1.980498|1.992286|2.067321|2.141307|3.828378|14.683361|2.978444|3.349498|4.429033|5.253028|4.083667|3.202699|7.321000|3.208077|14.478494|12.698426|36.858105| |1.884674|1.872732|2.016648|1.932953|2.712536|2.128545|0.055854|1.993846|1.927993|2.410551|0.046567|2.345603|1.843467|1.832654|3.027343|1.954675|1.916800|1.873771|1.867271|1.903688|1.950802|3.442157|14.202422|2.560396|2.865280|3.620412|4.040498|3.294316|2.702150|5.914386|2.726694|9.751207|7.636216|14.460973|36.858105| |17.530660|8.758841|5.452237|4.048159|4.349614|2.703638|0.072671|2.320120|1.989728|2.597107|0.048331|2.840208|2.388720|2.894890|5.415632|1.789037|1.614011|1.476603|1.469577|1.594432|1.785229|3.452291|10.630939|2.710127|2.873534|2.685197|2.412745|2.306826|2.426740|3.658084|1.900881|3.914756|2.197162|1.948955|1.764212|0.500000| |17.532469|8.775933|6.775470|4.505776|4.952248|3.085471|0.080367|2.599759|2.204037|2.845926|0.052510|3.102689|2.646212|3.206211|5.821252|1.973050|1.777489|1.615841|1.599565|1.733833|1.953181|3.757014|11.591617|3.244404|3.636301|3.440370|2.974093|2.738078|2.840013|4.229143|2.134767|4.767632|2.715364|2.336550|2.086023|0.301468|0.500000| |17.535595|8.780899|6.788016|4.506966|4.978024|2.954774|0.076635|2.577894|2.185109|2.898289|0.053591|3.246361|2.743706|3.432024|6.664997|1.922225|1.737401|1.567783|1.537379|1.657058|1.874914|3.585442|11.301139|2.926502|3.208658|2.918054|2.517616|2.367409|2.518482|3.678544|1.899667|4.022192|2.279822|1.984631|1.810048|0.301406|0.301699|0.500000| |8.865954|17.495305|8.839263|6.906694|6.272950|3.827027|0.105624|3.022921|2.489354|3.136786|0.057193|3.406398|2.999855|3.742593|6.593901|2.217072|1.936419|1.755574|1.768936|1.969897|2.259462|4.527322|12.298435|3.780094|3.789959|3.358430|3.036232|3.023074|3.331776|4.667914|2.433543|4.697637|2.507468|2.170319|1.915847|0.212610|0.210906|0.173051|0.500000| |8.867445|17.506956|8.851989|6.901716|6.319290|3.584748|0.097541|2.987143|2.461153|3.205314|0.058563|3.596020|3.141164|4.110169|7.887318|2.145244|1.884540|1.694260|1.685893|1.859473|2.140589|4.236028|11.951829|3.302135|3.313375|2.868819|2.556493|2.545946|2.843807|3.958964|2.102236|3.982448|2.153859|1.880877|1.696381|0.212754|0.173030|0.210901|0.303675|0.500000| |6.837762|8.846510|17.569168|8.907631|9.539575|4.689057|0.113774|3.939400|3.096417|4.084321|0.072663|4.790263|4.391599|6.435549|12.664169|2.573057|2.252903|1.967482|1.907698|2.084274|2.455335|4.747013|13.812815|4.315331|4.714436|3.773899|3.094335|2.966304|3.366094|4.402497|2.277793|4.650529|2.540906|2.135475|1.928074|0.139956|0.168052|0.203000|0.173498|0.212159|0.500000| |6.865398|8.851871|17.548419|8.873296|9.353752|5.263491|0.126881|4.016272|3.149457|3.941208|0.070030|4.362427|4.022267|5.234627|8.701880|2.697192|2.341666|2.064204|2.029193|2.241382|2.636544|5.160187|14.350881|5.591386|6.539852|5.191959|4.094004|3.815048|4.274611|5.450284|2.717586|5.935387|3.196702|2.596787|2.275120|0.140212|0.203556|0.169257|0.211329|0.173658|0.302471|0.500000| |4.527002|6.819886|8.856184|17.570976|12.631430|7.436647|0.216093|4.850824|3.640233|4.342340|0.076169|4.693471|4.498722|5.789803|8.825836|3.115525|2.569260|2.264637|2.291853|2.645029|3.218351|6.819683|15.221677|6.305999|5.327333|4.130478|3.721047|4.009501|5.076582|5.862018|3.125401|5.347377|2.696050|2.275045|1.994990|0.108187|0.119874|0.111142|0.205618|0.169011|0.174375|0.214517|0.500000| |4.576746|6.988807|8.880381|17.539960|12.517321|5.882241|0.162477|4.602607|3.492909|4.451928|0.078323|5.126263|4.893597|7.259715|12.638341|2.886849|2.422266|2.116254|2.101566|2.374891|2.870523|5.877163|14.446166|4.544374|4.130841|3.268415|2.901090|3.031940|3.680115|4.586566|2.490173|4.326084|2.254772|1.937726|1.741281|0.109681|0.112077|0.120282|0.174865|0.211559|0.211755|0.174200|0.302489|0.500000| |1.744745|1.919677|2.251671|2.510427|4.199891|3.652035|0.093551|4.820137|7.118471|9.606809|0.223793|6.577729|4.246967|3.220627|4.924729|8.901599|17.697212|9.003362|5.662420|4.964479|5.538540|7.525976|53.728631|3.493130|3.223241|2.904335|2.812503|3.000986|3.347091|4.847585|2.771371|4.398255|2.253129|1.990037|1.887694|0.044368|0.048973|0.048338|0.052311|0.051525|0.062761|0.064168|0.068053|0.065505|0.500000| |1.461135|1.603824|1.788620|1.994827|3.074368|2.707716|0.076772|2.979325|3.574353|4.231004|0.088460|3.493349|2.534941|2.181417|3.429481|4.930196|5.660802|8.896248|17.701282|8.973310|5.541796|7.577746|53.255285|2.732177|2.426160|2.340889|2.507830|2.869957|3.022510|5.252751|3.385783|4.139909|2.046784|1.906599|1.801371|0.038048|0.041211|0.039535|0.045287|0.043092|0.048052|0.051123|0.057201|0.052573|0.124609|0.500000| |1.670897|1.878800|2.096771|2.420671|3.712594|3.429755|0.103494|3.588159|4.104449|4.501011|0.088886|3.783177|2.893174|2.528217|3.895425|5.615231|4.964330|5.647668|8.971014|17.701272|8.867475|13.116587|31.419256|3.402546|2.823947|2.656822|2.899871|3.569124|3.991015|6.588816|4.677903|4.624971|2.211125|2.026639|1.859119|0.043474|0.046936|0.044581|0.053918|0.050438|0.055080|0.059648|0.071527|0.063545|0.107698|0.215865|0.500000| |3.669600|4.136022|5.969131|5.733687|9.783244|6.898116|0.141651|5.687606|4.375939|5.297494|0.091248|5.696328|5.358561|5.898957|8.554362|3.620477|3.129400|2.651742|2.522396|2.751886|3.325882|6.200177|18.118667|8.942894|17.744526|8.925789|5.649089|4.953092|5.657247|6.519775|3.152871|7.440846|3.920913|2.997017|2.635064|0.084862|0.108992|0.099833|0.108015|0.099066|0.160073|0.210238|0.145099|0.122856|0.087085|0.062118|0.070528|0.500000| |3.104821|3.204100|3.895822|3.587287|5.265016|4.075991|0.097056|3.569450|3.148308|3.831710|0.069961|3.869009|3.267571|3.367133|5.319587|2.921961|2.680562|2.406747|2.328024|2.478025|2.794512|5.073836|17.041445|5.659079|8.941937|17.749306|8.931891|5.638874|4.974129|7.580566|3.337100|12.531725|7.502962|4.729521|3.935792|0.074869|0.098048|0.082742|0.088173|0.076576|0.102087|0.136670|0.099845|0.082943|0.074033|0.058936|0.064818|0.217374|0.500000| |2.493806|2.933636|3.449163|4.174420|6.466774|7.156775|0.225565|5.489019|4.871206|4.952602|0.088198|4.540287|3.988738|3.758805|5.457606|5.060479|3.885826|3.515552|3.832267|4.933179|6.302704|14.610670|21.647591|8.973168|5.693529|4.977101|5.628740|8.922590|17.771259|12.576702|7.571807|7.566107|3.324587|2.801674|2.409730|0.062995|0.071342|0.064530|0.086577|0.075178|0.085055|0.102647|0.134275|0.099706|0.093984|0.092095|0.134446|0.124826|0.107986|0.500000| |1.860653|2.042897|2.219878|2.414537|3.452652|3.068576|0.089516|2.778076|2.757548|3.143529|0.060072|2.885222|2.320788|2.216131|3.480290|3.097494|2.821548|2.906102|3.357566|3.868410|3.692234|6.861870|19.583295|3.629223|3.200248|3.422939|4.414514|5.897078|4.934754|17.007457|17.619580|7.748483|3.334118|3.169682|2.727228|0.048669|0.054190|0.048314|0.060703|0.052790|0.056396|0.066367|0.074474|0.060886|0.069593|0.090373|0.117901|0.075397|0.082146|0.147380|0.500000| |2.127533|2.410037|2.635011|2.974412|4.214271|3.876355|0.119229|3.308519|3.156402|3.507490|0.065648|3.249082|2.691903|2.606305|4.028828|3.448107|2.956223|2.919150|3.350599|4.130424|4.288152|8.831705|19.014909|4.559150|3.715935|3.748392|4.677828|6.952998|6.742736|16.418301|17.555672|7.383556|3.191293|2.888150|2.463402|0.055370|0.061429|0.054602|0.072814|0.062173|0.065471|0.078225|0.095323|0.074300|0.072379|0.086651|0.126342|0.086111|0.087009|0.229625|0.299868|0.500000| |1.963949|2.197433|2.466366|2.771421|4.147044|3.935212|0.115235|3.619012|3.674287|3.976220|0.075011|3.539399|2.868914|2.646218|4.043458|4.346783|3.779766|3.836796|4.564254|5.716064|5.568732|10.206778|23.989209|4.676873|3.841161|3.891046|4.865214|7.197768|6.871108|16.423185|17.589382|7.633488|3.283176|2.945523|2.565659|0.050682|0.056701|0.051393|0.064434|0.056964|0.062903|0.073404|0.084980|0.069283|0.089487|0.115562|0.169774|0.088742|0.090104|0.227062|0.299097|0.299963|0.500000| |2.330400|2.353669|2.663161|2.535254|3.661625|2.907498|0.073334|2.689258|2.542605|3.128931|0.059158|3.056818|2.454861|2.435707|3.935535|2.514047|2.418209|2.276294|2.223051|2.297106|2.448239|4.320143|16.717681|3.735469|4.586757|6.765794|7.048567|4.747607|3.791257|7.488587|3.250349|16.486435|17.539882|8.908331|7.224766|0.058705|0.072416|0.062321|0.066024|0.058132|0.070628|0.086634|0.071952|0.061559|0.066555|0.057794|0.060838|0.113710|0.228180|0.088096|0.084608|0.081064|0.086675|0.500000| 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