Version2.1 2021-01-07T20:37:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@@H](C(=C(C4=O)C(=O)N)[O-])[NH+](C)C)O C28630644 RHF 6-31G(d) (6D,7F) Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@@H](C(=C(C4=O)C(=O)N)[O-])[NH+](C)C)O C01[X(C22H21Cl1N2O7)] 153 C1 526 C[NH+]([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1Cc1c(C2=O)c(O)c2c(c1C)c(Cl)ccc2O)O)[O-])C C[NH+]([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1Cc1c(C2=O)c(O)c2c(c1C)c(Cl)ccc2O)O)[O-])C C[NH+](C)[C@H]1[C@@H]2Cc3c(C)c4c(Cl)ccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(=C1[O-])C(N)=O InChIKey=NICZYMKKWKYGHT-BAQLRCJTSA-N InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1 InChI=1/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1/f/h28h,25H,24H2 Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@@H](C(=C(C4=O)C(=O)N)[O-])[NH+](C)C)O C01[X(C22H21Cl1N2O7)] 153 C01 526 C[NH+]([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1Cc1c(C2=O)c(O)c2c(c1C)c(Cl)ccc2O)O)[O-])C C[NH]([C@@H]1[C](=O)[C]([C]([O])[C@@]2([C@H]1C[C]1[C]([C]([C]3[C]([C]=1C)[C]([CH][CH][C]3O)Cl)O)C2=O)O)C(=O)N)C C[NH](C)[C@H]1[C@@H]2CC3=C(C)[C]4[C](Cl)[CH][CH][C](O)[C]4[C](O)[C]3C(=O)[C@]2(O)[C]([O])[C](C(N)=O)C1=O InChIKey=LLXYETGSUAFGCI-BAQLRCJTSA-N InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,25-27,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1 InChI=1/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,25-27,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1/f/h24H2 3634.5058607526 -1937.7107365 1-A 14244.2337 120 406 526 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.84090 -20.63053 -20.60324 -20.58532 -20.57552 -20.52255 -20.52134 -20.46755 -15.74552 -15.51999 -11.36509 -11.36485 -11.34077 -11.33010 -11.32945 -11.32673 -11.32311 -11.31766 -11.31539 -11.31176 -11.30334 -11.30323 -11.28885 -11.28503 -11.28036 -11.27615 -11.27441 -11.27163 -11.26326 -11.24698 -11.24506 -11.19055 -10.57422 -8.04357 -8.04036 -8.04024 -1.47351 -1.43721 -1.42674 -1.40312 -1.39495 -1.36250 -1.35438 -1.33414 -1.22542 -1.18906 -1.15537 -1.15234 -1.12935 -1.08445 -1.07584 -1.05274 -1.03687 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.04748 0.07894 0.13127 0.14260 0.15323 0.16513 0.18863 0.19856 0.20126 0.20732 0.22304 0.23369 0.24545 0.24878 0.25159 0.25520 0.27666 0.27831 0.28114 0.28643 0.29454 0.29757 0.30205 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39.0603 72.0162 23.1410 21.2359 106.1901 32.1477 25.8041 38.8557 217.1663 36.9084 75.6233 6.8558 1.7358 31.5547 83.3379 25.5915 19.3010 27.7239 5.9266 4.3409 10.0929 70.1179 51.7111 93.3050 166.7116 174.0484 8.5326 53.6058 322.2287 121.8344 57.2258 255.8481 15.5072 6.5393 118.3782 7.2241 65.0370 98.7476 19.8037 272.3829 1.5855 10.8511 7.8676 13.7199 12.1620 17.4987 31.9990 51.6449 9.9090 473.3728 958.0554 42.5602 369.4982 103.0690 69.7204 360.2137 606.8764 20.7254 32.0199 19.6981 14.5756 25.7802 13.8699 10.7345 23.3761 12.5440 11.1513 10.6967 3.7069 3.8100 2.3983 7.5612 453.9975 53.8902 35.7016 233.9311 83.9741 234.5695 2.9582 1.6468 3.7018 0.9193 0.4852 0.7946 1.7702 1.3680 1.0575 0.5811 0.5231 1.3625 2.5781 1.6099 1.5170 0.2129 0.3565 0.3815 3.0244 0.9292 0.6464 0.9037 0.9595 0.4310 1.4830 1.1610 2.1566 1.6385 0.7442 0.9988 0.4299 4.6837 1.4964 3.3581 1.1839 0.4799 1.6777 1.7250 2.6566 6.1976 2.8882 10.4755 2.4821 2.6135 0.9337 3.0859 4.2448 1.9312 5.2112 2.7221 4.5647 4.4177 2.0023 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31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 6 6 6 6 6 6 6 6 6 6 6 8 17 8 6 8 6 6 1 6 6 1 6 6 6 8 6 8 7 8 7 1 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 34.96885 15.99491 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 15.99491 14.00307 1.00783 12.00000 12.00000 15.99491 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 7844.0148 20555.8748 23964.0237 0.99997 -0.00764 -0.00112 0.00765 0.99993 0.00908 0.00105 -0.00909 0.99996 1 0.01104 0.00421 0.00361 0.23008 0.08780 0.07531 28.89 43.33 49.36 67.69 96.61 108.26 129.31 155.89 170.75 178.04 204.27 249.85 264.50 284.14 307.90 328.23 332.53 349.71 363.49 381.39 407.84 430.11 455.32 462.76 500.79 522.43 529.65 533.48 552.44 587.80 593.86 617.33 630.47 636.84 652.52 683.77 691.84 699.83 708.37 726.27 766.01 782.69 798.80 816.96 824.17 832.74 854.95 895.26 902.73 915.63 939.49 994.35 1002.97 1032.03 1041.74 1067.47 1091.49 1107.91 1162.06 1190.04 1195.08 1239.10 1250.64 1255.44 1292.91 1304.29 1321.36 1358.16 1372.29 1404.28 1458.01 1479.61 1529.99 1549.64 1565.99 1567.45 1587.21 1624.55 1640.92 1662.11 1675.49 1723.85 1748.68 1759.47 1795.71 1799.08 1800.51 1816.13 1843.32 1870.94 1898.12 1921.46 1956.60 1985.18 1989.20 1993.94 2013.43 2035.13 2072.99 2092.14 2106.22 2132.00 2135.56 2174.55 2182.61 2208.63 2214.23 2236.71 2258.42 2261.27 2271.67 2284.37 2295.41 2299.09 2310.82 2317.18 2355.97 2362.70 2373.18 2377.59 2384.44 2401.53 2404.37 2413.29 2532.36 2543.70 2568.51 2606.71 2613.25 2682.17 2780.75 2810.50 4634.16 4652.92 4678.32 4691.73 4706.68 4706.76 4721.29 4737.61 4796.91 4811.48 4828.13 4888.35 4912.47 4919.53 4927.62 5304.89 5365.54 5486.19 5646.32 5668.22 5836.11 0.446534 0.472774 0.473718 0.390244 -1937.264202 -1937.237963 -1937.237019 -1937.320492 2.799698D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@@H](C(=C(C4=O)C(=O)N)[O-])[NH+](C)C)O C28630644 RHF 6-31G(d) (6D,10F) C1 460.103729 |X|Y|Z| 56.434964 37.000141 98.438873 59.016406 18 6 18 |36.858105| |12.507007|36.858105| |7.662665|14.010268|36.858105| |4.989955|7.790788|13.258273|36.858105| |4.419853|6.759030|7.869574|13.838805|36.858105| |4.936481|7.675228|6.748160|7.762337|13.276393|36.858105| |7.338047|13.093438|7.847421|6.725621|7.755800|13.350148|36.858105| |6.172822|7.502073|5.096236|4.499877|5.118579|7.877396|13.463973|36.858105| |4.307839|5.038153|3.926008|3.773033|4.533728|6.871593|7.848126|13.904525|36.858105| |3.636921|4.449907|3.756901|3.908367|5.093099|7.861573|6.728985|7.921001|13.756271|36.858105| |3.786899|5.021834|4.480114|5.066969|7.626249|13.328788|7.690714|6.834862|7.985717|13.888759|36.858105| |3.054467|3.872071|3.713830|4.417410|6.486737|7.795150|5.118623|4.629054|5.341551|8.324787|14.309018|73.516695| |6.338549|5.884916|4.188485|3.513390|3.646311|4.682156|6.803478|10.847318|7.211405|4.810622|4.209803|5.793423|448.794386| |3.384719|4.595888|5.216137|8.070270|14.344487|8.091981|5.222897|3.997884|3.847154|4.593007|6.853936|13.196131|23.990969|73.516695| |3.792492|5.014361|7.474296|12.876492|7.723505|5.012749|4.420720|3.339989|2.940180|3.080688|3.840336|6.474526|22.333044|12.082482|36.858105| |3.118202|3.973460|5.222677|8.097768|6.804045|4.501291|3.774481|2.974979|2.727441|2.948575|3.706998|6.643913|19.839227|13.372675|15.792384|73.516695| |3.647376|4.389124|6.389070|7.331896|4.938518|3.770767|3.638220|2.881700|2.515187|2.550360|3.008845|5.038413|20.459981|7.806519|12.379178|14.270671|36.858105| |4.385432|5.086916|7.516480|6.648720|4.509774|3.732070|3.897818|3.104774|2.620735|2.561452|2.935061|4.741989|22.922295|6.705423|7.565560|9.405005|12.525029|36.858105| |3.876965|4.157147|5.511071|4.884470|3.613590|3.103994|3.266325|2.707000|2.315884|2.252176|2.527342|4.129872|20.610341|5.574437|5.553256|7.647536|9.049591|17.574515|0.500000| |6.566979|7.594487|12.550422|7.567120|5.038726|4.390203|4.962079|3.786663|3.049366|2.900552|3.302637|5.126928|27.849103|6.950484|6.557275|8.242546|7.666941|12.436243|0.246968|36.858105| |3.924701|4.631669|6.153075|5.840953|4.314728|3.656102|3.789616|3.098912|2.641546|2.578886|2.931569|4.745707|23.120418|6.548010|6.356800|8.700636|7.789151|12.428438|0.245536|7.332587|36.858105| |4.019293|5.111830|6.833819|7.143567|5.276469|4.339537|4.358386|3.471688|2.961213|2.928561|3.405865|5.477465|24.908659|7.846880|7.319493|9.974256|7.163990|8.851749|0.173872|6.657002|17.612201|0.500000| |2.979591|3.389604|4.206508|4.331610|3.476127|2.956460|2.955485|2.513669|2.225248|2.211328|2.492884|4.180339|18.901378|5.681688|5.170880|7.994829|6.484257|7.425635|0.191149|4.806348|12.325687|0.248373|36.858105| |2.683144|3.067361|3.841869|4.217453|3.418563|2.819854|2.726078|2.310444|2.081181|2.110060|2.408834|4.140457|17.046196|5.834185|5.614137|9.296472|7.425884|6.510215|0.172524|4.312383|7.545271|0.181315|13.402624|36.858105| |2.855084|3.304806|4.310145|4.922275|3.829444|3.042239|2.897993|2.402933|2.157657|2.206283|2.560113|4.416271|17.392909|6.549476|7.481410|12.139686|12.314769|7.488004|0.192868|4.908230|6.627991|0.165904|7.690783|13.416215|36.858105| |2.530506|2.875824|3.617612|4.142693|3.401222|2.735298|2.575655|2.167640|1.977406|2.040871|2.358947|4.147583|15.684301|6.042301|6.017594|10.969185|8.220604|5.369185|0.146713|4.019786|4.666576|0.121331|5.262050|8.051853|15.611154|73.516695| |2.221154|2.489611|2.970162|3.253757|2.808968|2.380553|2.283628|1.989315|1.829995|1.867738|2.104570|3.687018|14.805741|4.969788|4.097092|7.354829|4.821376|4.316805|0.119146|3.221939|4.901519|0.126103|7.646333|12.734859|7.492972|11.449363|36.858105| |2.085495|2.328345|2.707431|2.939704|2.610254|2.258972|2.171428|1.920998|1.781084|1.815816|2.026116|3.557048|14.403909|4.637762|3.522415|6.354070|3.899433|3.680642|0.100379|2.868059|4.400430|0.116912|6.671455|8.043294|5.282707|8.225186|15.836842|73.516695| |2.021498|2.234593|2.638926|2.885237|2.526329|2.152360|2.058043|1.804695|1.673120|1.714694|1.925178|3.406655|13.444162|4.535523|3.629668|6.686610|4.285505|3.703358|0.105334|2.874061|3.850540|0.099565|5.205846|7.823523|6.564759|12.344759|13.983475|15.167028|53.358707| |2.707217|2.990586|3.512429|3.519175|2.964668|2.622877|2.657699|2.331100|2.080997|2.050059|2.263364|3.797471|17.973982|4.887314|3.939937|6.316040|4.607104|5.350822|0.146032|3.929417|8.143366|0.183690|15.706150|8.041568|5.267397|7.223557|6.600014|12.068082|6.286062|73.516695| |4.173774|4.560763|5.334811|4.556311|3.645240|3.357369|3.701923|3.170994|2.659816|2.507843|2.743392|4.355337|25.181073|5.489462|4.411418|6.401944|4.986693|7.535383|0.184884|6.292049|12.547227|0.257449|7.517202|4.983536|4.398341|6.127534|3.791030|6.441576|4.214465|12.725261|53.358707| |5.307468|5.703757|6.465185|4.968519|3.939118|3.734325|4.341001|3.668360|2.968927|2.737503|2.977142|4.610104|29.564326|5.714582|4.450987|6.323833|4.845167|7.436223|0.175739|7.603830|9.444229|0.227304|5.677556|4.223098|3.999183|5.719701|3.270443|5.514505|3.758789|9.296891|25.784391|0.500000| |3.592488|3.966701|4.297970|3.914189|3.383268|3.221287|3.502315|3.132003|2.687631|2.531229|2.722721|4.340454|25.165048|5.225837|3.723579|5.718165|3.866140|4.949840|0.123084|4.439012|7.560888|0.208387|6.061084|4.222977|3.614046|5.217666|3.484805|6.297240|3.844734|11.856264|17.307195|0.263461|36.858105| |3.590052|3.621391|4.081605|3.518679|2.899734|2.708825|2.980099|2.644090|2.258854|2.125276|2.282714|3.677751|21.717687|4.499358|3.527366|5.298410|4.195057|6.046193|0.180088|5.120767|7.477647|0.155701|6.237863|4.436933|3.909900|5.664867|3.561164|6.045607|4.084051|11.739701|17.347545|0.261590|7.704999|36.858105| |3.512254|4.019871|5.508327|5.924463|4.330791|3.431657|3.337309|2.686094|2.362714|2.395608|2.794854|4.713993|19.196323|6.980406|8.174313|11.298403|13.679807|8.045243|0.206377|6.769564|5.179039|0.133364|4.550372|5.194986|7.969484|13.348166|3.875611|5.666046|5.094695|6.323833|5.303842|0.109117|3.105040|3.524742|73.516695| |17.662095|8.837197|5.755778|4.238773|4.025323|4.733967|6.990714|6.729571|4.707346|3.833554|3.824312|5.441087|58.041783|5.639857|3.288991|4.977035|3.109422|3.553037|0.089125|4.902324|3.231282|0.092737|2.561557|2.350331|2.502124|4.025766|1.988181|3.338696|2.490852|4.186353|4.620569|0.114313|3.045146|2.997769|5.444261|0.500000| |17.557211|8.645011|6.180899|4.284341|3.815248|4.221176|5.996175|5.568681|3.987439|3.318733|3.373475|4.911943|53.776686|5.358585|3.408889|5.049282|3.364824|4.180818|0.104933|5.813312|3.950186|0.110631|3.003817|2.633572|2.720080|4.254074|2.195533|3.707182|2.697644|4.971794|6.176320|0.165742|3.966009|3.950531|5.627595|0.303852|0.500000| |17.617717|8.877453|7.308642|4.798618|4.063996|4.236079|5.581593|4.668772|3.540924|3.128148|3.315659|4.934547|37.717270|5.678127|3.838404|5.558090|3.876770|4.717859|0.119460|7.531693|3.932412|0.107424|3.010130|2.748987|2.984423|4.736454|2.261505|3.725023|2.832260|4.811863|5.558086|0.141198|3.367367|3.666345|6.926212|0.306107|0.301640|0.500000| |3.769627|4.101742|3.283058|3.127265|3.613576|4.955130|5.616615|9.026199|17.749616|8.952446|5.683018|7.674857|56.423561|5.647525|2.530231|4.208030|2.218717|2.324175|0.057994|2.669280|2.354784|0.072173|2.015943|1.883264|1.935504|3.172564|1.676049|2.918175|2.094776|3.396758|3.281242|0.074193|2.464049|2.087974|3.730514|0.116294|0.100244|0.087522|0.500000| |3.033505|3.559297|3.115049|3.271910|4.139161|5.616454|4.880347|5.638246|8.871891|17.760993|9.032077|13.663077|31.973779|7.084310|2.697519|4.692560|2.265142|2.253974|0.055787|2.499896|2.277681|0.071095|1.997948|1.922629|2.000867|3.327382|1.728941|3.005347|2.175765|3.321305|3.017235|0.066265|2.256449|1.908518|3.811094|0.088979|0.078184|0.074206|0.214363|0.500000| |3.011427|3.873243|3.910345|4.955305|7.619411|7.577473|4.854874|4.142383|4.451306|6.122780|10.014322|35.658974|24.140900|19.058516|4.181199|7.911694|3.132735|2.859846|0.068636|3.036419|2.846513|0.091971|2.522675|2.540140|2.745444|4.599328|2.252756|3.834289|2.834930|4.019562|3.460687|0.074042|2.506799|2.137265|5.179727|0.082146|0.075400|0.077304|0.101669|0.154820|0.500000| |3.153309|4.158060|4.993947|7.966688|10.081093|5.993902|4.386632|3.425598|3.251331|3.730600|5.091855|9.728385|21.560306|35.015124|8.371583|20.125460|5.036342|4.033909|0.092976|3.968133|3.902105|0.128837|3.478334|3.714203|4.299397|7.112081|3.143220|5.124381|3.916505|5.208832|4.279789|0.089033|2.949725|2.591993|7.864325|0.081012|0.078778|0.084699|0.076551|0.092139|0.201936|0.500000| |5.915677|6.267248|8.878444|6.390054|4.539629|3.970997|4.373898|3.428957|2.825097|2.713501|3.075072|4.854564|25.254545|6.503142|5.923903|7.793998|7.142317|8.988892|0.220091|17.572603|5.459136|0.138790|4.066597|3.888490|4.642606|7.164654|2.992464|4.686318|3.763827|6.004737|6.457397|0.150213|3.564637|4.238641|14.003678|0.130478|0.139890|0.208618|0.069270|0.065686|0.080019|0.103976|0.500000| |7.536895|7.193420|8.840506|5.595301|4.179136|3.916526|4.678219|3.774395|2.995270|2.763840|3.036778|4.674111|29.698629|5.897476|4.849531|6.596601|5.546648|8.796954|0.214114|17.584375|6.549609|0.160253|4.414647|3.795202|4.059019|6.032295|2.936083|4.750579|3.564383|6.791761|9.357395|0.257524|4.712338|5.903095|8.979619|0.148088|0.203686|0.247685|0.074092|0.066449|0.075379|0.091898|0.306111|0.500000| |2.076433|2.300363|2.745522|3.030879|2.632449|2.216782|2.108613|1.834724|1.698821|1.747176|1.974003|3.501665|13.569543|4.745015|3.917124|7.294946|4.731013|3.865583|0.110247|3.006475|3.796330|0.098327|4.822723|7.370641|7.556983|17.003336|9.353812|10.951881|26.053160|7.298618|4.095915|0.075926|2.690058|2.901411|7.614521|0.052266|0.055926|0.059892|0.043255|0.045170|0.059802|0.084584|0.081945|0.074873|0.500000| |1.839637|2.024202|2.346953|2.564706|2.300624|1.984494|1.890940|1.677136|1.570017|1.614508|1.801774|3.214652|12.523613|4.181797|3.140603|5.886240|3.541061|3.120047|0.088066|2.510081|3.277642|0.086599|4.274686|5.758937|4.967369|9.430994|9.571129|14.086440|26.039048|7.096737|3.714220|0.068146|2.558881|2.653556|5.622662|0.046676|0.050236|0.052297|0.040326|0.042121|0.054439|0.073171|0.067255|0.064242|0.310581|0.500000| |3.762796|4.397952|4.699426|4.407699|3.907396|3.750822|4.034912|3.569113|3.057135|2.892847|3.142322|4.953416|27.697333|5.962007|4.028241|6.208921|3.910515|4.772806|0.113252|4.444706|7.080157|0.234476|5.491057|4.065604|3.578451|5.189722|3.358735|6.068864|3.723031|9.917989|12.329427|0.228283|17.641020|5.617748|5.536913|0.089066|0.113217|0.095071|0.076760|0.070887|0.079333|0.092044|0.098594|0.126189|0.072962|0.069228|0.500000| |3.015574|3.314944|3.643755|3.479309|3.046611|2.850880|2.997299|2.702273|2.383289|2.286970|2.465899|4.025884|21.485764|4.871655|3.480607|5.511863|3.671554|4.473150|0.115019|3.810803|6.818953|0.182494|6.698666|4.526762|3.653975|5.287211|3.879971|7.298899|4.166257|15.375976|12.332689|0.182960|17.743470|6.960137|5.239842|0.072582|0.090430|0.080058|0.061157|0.057468|0.065046|0.077640|0.088022|0.109177|0.079057|0.077427|0.298560|0.500000| |3.570164|3.738892|3.835743|3.396598|3.011497|2.972517|3.322549|3.088475|2.645159|2.438177|2.555109|4.045451|26.115671|4.657304|3.164902|4.914753|3.279783|4.152102|0.107038|3.968658|5.556375|0.150691|4.624999|3.454605|3.049191|4.536641|2.948605|5.339567|3.357367|9.099654|12.347567|0.228825|17.627502|7.188555|4.887912|0.084973|0.113977|0.092090|0.068521|0.060651|0.063988|0.072094|0.090719|0.122391|0.065584|0.062809|0.299732|0.296905|0.500000| |3.723568|3.669948|4.228366|3.577166|2.892334|2.676117|2.945908|2.585320|2.202701|2.078043|2.241998|3.618652|21.094385|4.476778|3.636486|5.390331|4.555487|6.873296|0.233469|5.796400|6.978336|0.142783|5.767275|4.436469|4.129995|6.035128|3.501901|5.738847|4.139994|9.899151|12.285480|0.223145|5.603429|17.664808|7.043252|0.085847|0.111231|0.110458|0.056420|0.051810|0.058620|0.072050|0.137324|0.189686|0.083456|0.073927|0.126227|0.142410|0.145974|0.500000| |3.590619|3.473266|3.703163|3.147424|2.673601|2.575963|2.891900|2.640951|2.251813|2.085151|2.197559|3.516503|22.521078|4.145925|3.053009|4.656981|3.473653|4.729304|0.137302|4.440146|5.529842|0.127576|4.687936|3.560253|3.215457|4.812637|2.986582|5.174160|3.501841|8.996982|12.369203|0.229309|7.140566|17.629733|5.377201|0.084147|0.114332|0.100326|0.058505|0.052141|0.056107|0.065384|0.104408|0.148100|0.069237|0.064426|0.146229|0.172386|0.221631|0.300123|0.500000| |3.011231|3.094233|3.493159|3.172497|2.662543|2.463767|2.638303|2.361190|2.060915|1.965520|2.113883|3.461849|19.177143|4.240017|3.296214|5.097601|3.928991|5.217004|0.157732|4.209179|6.702304|0.142490|6.877918|4.759730|3.938355|5.729070|3.963067|6.871460|4.458552|15.029592|12.357232|0.182408|7.030340|17.735104|5.847583|0.071672|0.090212|0.085099|0.053180|0.049532|0.056127|0.068573|0.100333|0.126462|0.085797|0.080559|0.142953|0.208844|0.176289|0.299084|0.297574|0.500000| 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