Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(cc4)N(C)C C09470990 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(cc4)N(C)C C01[X(C29H38N3O4)] 216 C1 616 CC[NH+](CCCN1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc2c(c1)C[C@H](O2)C)CC CC[NH+](CCCN1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc2c(c1)C[C@H](O2)C)CC CC[NH+](CC)CCCN1[C@@H](c2ccc(cc2)N(C)C)C(=C(O)C1=O)C(=O)c3ccc4O[C@H](C)Cc4c3 InChIKey=WAFJKTQAKZIVIQ-BCHFMIIMSA-O InChI=1S/C29H37N3O4/c1-6-31(7-2)15-8-16-32-26(20-9-12-23(13-10-20)30(4)5)25(28(34)29(32)35)27(33)21-11-14-24-22(18-21)17-19(3)36-24/h9-14,18-19,26,34H,6-8,15-17H2,1-5H3/p+1/t19-,26+/m1/s1 InChI=1/C29H37N3O4/c1-6-31(7-2)15-8-16-32-26(20-9-12-23(13-10-20)30(4)5)25(28(34)29(32)35)27(33)21-11-14-24-22(18-21)17-19(3)36-24/h9-14,18-19,26,34H,6-8,15-17H2,1-5H3/p+1/t19-,26+/m1/s1/fC29H38N3O4/h31H/q+1 CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(cc4)N(C)C C01[X(C29H38N3O4)] 216 C01 616 CC[NH+](CCCN1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc2c(c1)C[C@H](O2)C)CC CC[NH](CCCN1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)O)C(=O)c1ccc2c(c1)C[C@H](O2)C)CC CC[NH](CC)CCCN1[C@@H](c2ccc(cc2)N(C)C)C(=C(O)C1=O)C(=O)c3ccc4O[C@H](C)Cc4c3 InChIKey=OUGUJZHIMYVDLU-BCHFMIIMSA-N InChI=1S/C29H38N3O4/c1-6-31(7-2)15-8-16-32-26(20-9-12-23(13-10-20)30(4)5)25(28(34)29(32)35)27(33)21-11-14-24-22(18-21)17-19(3)36-24/h9-14,18-19,26,31,34H,6-8,15-17H2,1-5H3/t19-,26+/m1/s1 InChI=1/C29H38N3O4/c1-6-31(7-2)15-8-16-32-26(20-9-12-23(13-10-20)30(4)5)25(28(34)29(32)35)27(33)21-11-14-24-22(18-21)17-19(3)36-24/h9-14,18-19,26,31,34H,6-8,15-17H2,1-5H3/t19-,26+/m1/s1 3834.1521485231 -1582.9032951 1-A 25758.8673 132 484 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67788 -20.64693 -20.63820 -20.61554 -15.83926 -15.69271 -15.63901 -11.44956 -11.43528 -11.43482 -11.42150 -11.40252 -11.38788 -11.38536 -11.37971 -11.37021 -11.36952 -11.36123 -11.35827 -11.34948 -11.34806 -11.32734 -11.31542 -11.31460 -11.31455 -11.31096 -11.30693 -11.30487 -11.30269 -11.29635 -11.29332 -11.29243 -11.29161 -11.29095 -11.29036 -11.27025 -1.51666 -1.48734 -1.48529 -1.47753 -1.46257 -1.38041 -1.32634 -1.23112 -1.22316 -1.21621 -1.20404 -1.18487 -1.14386 -1.14057 -1.11332 -1.10457 -1.09033 -1.07789 -1.06930 -1.03834 -1.03546 -1.02950 -1.01773 -1.00365 -0.98948 -0.96036 -0.94528 -0.90493 -0.89834 -0.89117 -0.87868 -0.87044 -0.85729 -0.85198 -0.83846 -0.83369 -0.82288 -0.81135 -0.78503 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0.81033 0.82199 0.82490 0.82643 0.83967 0.84853 0.85239 0.85515 0.85971 0.86411 0.87293 0.88097 0.88606 0.89335 0.89791 0.90729 0.91580 0.91787 0.92387 0.92882 0.93584 0.93994 0.95703 0.95885 0.96158 0.97215 0.97524 0.98232 0.98406 0.98977 0.99470 0.99840 1.00894 1.01077 1.01286 1.01514 1.01918 1.02394 1.02580 1.03338 1.03688 1.03840 1.04523 1.04824 1.05032 1.05234 1.05559 1.06135 1.06406 1.07309 1.07526 1.07963 1.08236 1.08592 1.08763 1.08988 1.09684 1.10240 1.10723 1.10925 1.11361 1.11407 1.11870 1.12152 1.12368 1.13173 1.13716 1.13896 1.14149 1.14476 1.15075 1.15243 1.16120 1.16249 1.16676 1.17501 1.18083 1.18388 1.18495 1.19066 1.19197 1.19758 1.20081 1.20928 1.21531 1.22073 1.23142 1.23474 1.24354 1.25869 1.27047 1.27593 1.28661 1.29502 1.29805 1.30412 1.31056 1.31315 1.32147 1.32794 1.33480 1.35131 1.37243 1.38248 1.39276 1.39560 1.40692 1.41870 1.42895 1.43514 1.44324 1.44573 1.46319 1.47357 1.48684 1.49555 1.50968 1.51246 1.52733 1.53314 1.54414 1.54867 1.55187 1.56248 1.56801 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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| 8.1228 13.2097 21.1484 22.9110 26.8845 33.3143 41.7517 49.6803 54.1234 60.5107 64.5024 79.1589 85.7183 89.1927 99.4349 105.8802 122.5762 140.5327 143.7265 156.4493 164.3499 188.6663 203.7600 211.4377 218.0836 219.6453 228.3949 243.5273 264.3735 271.2968 283.2135 286.1397 303.9774 306.3752 324.5852 332.7260 341.9441 350.5231 363.7399 378.6972 407.0831 417.0253 452.0468 462.1456 467.8080 472.7969 477.5265 481.2307 483.2876 489.5768 516.0787 526.6294 540.4120 593.3545 602.9946 607.6098 632.8018 650.9817 679.0436 693.5154 698.5001 718.7346 726.8124 779.9699 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2192.45 2197.32 2203.39 2212.54 2235.55 2265.49 2267.85 2272.08 2275.67 2280.20 2288.85 2290.52 2291.50 2316.49 2338.16 2345.13 2347.27 2354.18 2356.60 2356.76 2358.85 2359.06 2360.24 2363.86 2364.48 2371.74 2377.35 2383.02 2389.67 2393.75 2397.54 2399.13 2419.83 2448.98 2528.98 2571.94 2597.35 2608.90 2754.48 2791.28 2833.50 4580.01 4592.50 4623.53 4631.45 4636.75 4639.12 4641.42 4651.49 4655.22 4672.05 4689.97 4695.37 4707.16 4710.87 4717.09 4724.79 4724.98 4726.74 4738.05 4742.33 4745.65 4760.46 4762.86 4764.48 4766.43 4792.40 4812.50 4814.98 4833.29 4850.16 4854.91 4857.14 4895.27 4896.91 4921.68 4926.07 5319.19 5825.23 0.683829 0.718322 0.719266 0.611444 -1582.219466 -1582.184973 -1582.184029 -1582.291851 3.616368D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE CC[NH+](CC)CCCN1[C@H](C(=C(C1=O)O)C(=O)c2ccc3c(c2)C[C@H](O3)C)c4ccc(cc4)N(C)C C09470990 RHF 6-31G(d) (6D,10F) C1 492.286232 |X|Y|Z| 128.675596 84.143549 46.054591 79.298197 21 6 7 8 19 1 1 |36.858105| |12.523518|36.858105| |7.548554|12.579948|53.358707| |7.417979|9.324221|25.715218|0.500000| |6.036793|7.590420|17.197457|0.258526|36.858105| |4.474783|4.987784|10.279918|0.208011|12.517846|36.858105| |4.964247|7.585222|17.188960|0.259135|7.648509|5.961821|36.858105| |4.433722|6.127923|10.225799|0.202263|4.942482|4.306105|12.389438|36.858105| |3.902772|5.285826|7.252792|0.136533|3.892545|3.326900|7.403065|12.374484|36.858105| |3.518179|4.319568|5.655371|0.113534|3.161863|2.797887|4.998574|7.717189|13.232014|53.358707| |2.770551|3.242431|4.345252|0.088040|2.582856|2.363449|3.784290|5.237045|7.336553|17.626060|36.858105| |2.610458|3.029749|4.230892|0.087132|2.541975|2.385984|3.739052|5.229403|6.431613|12.415727|17.552250|0.500000| |2.647563|2.949976|3.833163|0.079146|2.310252|2.124852|3.129343|4.095520|5.111101|11.195107|12.522362|0.246677|36.858105| |3.067886|3.357161|4.201777|0.087592|2.482600|2.249474|3.298879|4.305080|5.216910|11.420671|8.177570|0.175011|14.415555|36.858105| |3.880420|4.498658|5.492894|0.113284|3.064867|2.693508|4.368134|6.106192|7.867691|19.345669|8.164120|0.175010|8.316861|12.864986|36.858105| |4.989907|5.649090|6.323989|0.131390|3.424398|2.926759|4.616274|5.980871|6.730900|11.345600|5.428851|0.127778|5.525517|7.937843|15.725837|73.516695| |2.944587|3.058518|3.765000|0.079319|2.274682|2.073702|2.830848|3.491079|3.952370|7.370866|5.232795|0.123831|7.923416|14.331001|7.813081|11.821110|73.516695| |2.199516|2.393756|3.138719|0.064843|1.956065|1.828153|2.527821|3.133022|3.708664|6.872937|7.168497|0.176168|12.645598|7.516693|5.062099|6.952083|10.932904|36.858105| |2.071187|2.236264|2.887205|0.059084|1.822627|1.693445|2.296423|2.756291|3.279405|5.780372|5.518796|0.132376|8.190552|6.140463|4.359141|6.276093|9.929381|15.947801|73.516695| |1.993473|2.150702|2.894988|0.060473|1.829199|1.745766|2.334843|2.867374|3.216299|5.607808|5.601184|0.162456|7.396222|5.273783|4.005926|5.771454|8.231173|12.850167|14.402452|36.858105| |2.060040|2.218001|3.051484|0.064754|1.920359|1.859705|2.468341|3.079675|3.297772|5.670943|5.391387|0.174400|6.400688|4.964029|4.008376|5.843955|7.709498|7.566853|9.416271|13.689946|36.858105| |1.841825|1.963287|2.737878|0.058301|1.757524|1.730895|2.199623|2.662048|2.757943|4.464209|3.987846|0.128976|4.371168|3.668469|3.149148|4.803854|5.973222|5.020276|7.101622|7.851443|13.739419|36.858105| |1.644215|1.745101|2.415268|0.050945|1.572552|1.546457|1.929621|2.276938|2.389090|3.789903|3.370302|0.104479|3.695660|3.122523|2.683709|4.154155|5.207163|4.501137|6.825363|6.926781|8.064568|13.802004|36.858105| |1.605956|1.707277|2.329420|0.048658|1.517838|1.475947|1.858579|2.179944|2.349010|3.755100|3.402360|0.101204|3.839829|3.181520|2.672483|4.114045|5.339948|5.100208|8.120884|7.959594|6.903305|7.846829|13.693296|36.858105| 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|1.494546|1.575969|2.193830|0.046296|1.447846|1.437045|1.741596|2.014204|2.080132|3.207040|2.757195|0.084754|2.940369|2.571617|2.275216|3.600481|4.354311|3.426723|5.426899|4.670282|5.259058|7.926426|14.275713|8.375789|5.372080|8.004685|13.234745|0.260711|73.516695| |1.270152|1.325151|1.829146|0.038374|1.226355|1.216956|1.432203|1.613078|1.668111|2.519872|2.105743|0.062386|2.247326|2.026769|1.813017|2.933585|3.525270|2.600573|4.382093|3.214516|3.283562|4.039331|5.491163|5.238759|3.834267|7.360160|12.586866|0.246868|14.101231|36.858105| |2.469204|2.905123|3.873315|0.076344|2.383436|2.171233|3.396234|4.285872|6.105878|10.378043|12.579729|0.249628|7.433955|5.483059|5.498199|7.440647|7.186375|5.943533|9.345766|4.737308|4.256746|3.384664|3.047472|3.194769|3.871631|2.624764|2.382011|0.066038|4.534119|2.014908|36.858105| 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|2.141373|2.472508|3.201442|0.061860|2.058873|1.858203|2.692214|3.048214|4.014366|5.841499|4.996607|0.116705|4.315615|3.718095|3.699356|5.624083|5.537555|4.064437|7.570765|3.337895|2.919709|2.488359|2.380539|2.582147|3.058005|2.257430|2.023221|0.056516|3.686699|1.753363|7.884082|6.929443|7.959966|13.533376|36.858105| |2.417007|2.815731|3.617042|0.070400|2.257712|2.025871|3.063638|3.649570|5.112605|8.184768|7.489874|0.155490|6.151187|5.058735|4.991100|7.116933|7.031400|5.287049|9.463849|4.031691|3.496370|2.854661|2.654422|2.855175|3.476116|2.414907|2.159850|0.059604|4.018937|1.858437|13.683671|8.032254|6.909641|7.852521|13.846313|36.858105| |1.758473|2.004676|2.675209|0.051705|1.787523|1.648506|2.245142|2.427297|2.942882|4.018269|3.325288|0.086098|2.913000|2.569944|2.581789|4.099314|4.000110|2.880195|5.275913|2.604642|2.355995|2.121006|2.086176|2.246790|2.521702|2.051722|1.875320|0.053662|3.342248|1.638830|4.519905|5.163783|7.848004|13.818124|7.841829|5.165988|53.358707| |1.601725|1.812742|2.462040|0.047871|1.666135|1.560896|2.066399|2.215009|2.592058|3.510249|2.904400|0.078163|2.554507|2.254966|2.261057|3.617421|3.544343|2.563396|4.620510|2.412985|2.220466|2.048846|2.038292|2.179017|2.380348|2.025538|1.877639|0.054544|3.317656|1.642263|3.746874|4.523443|6.731107|7.817632|5.099238|3.921721|17.902016|36.858105| |1.680845|1.890164|2.479979|0.047950|1.667788|1.530964|2.033328|2.172668|2.606071|3.592974|2.902595|0.074125|2.661553|2.406009|2.392258|3.861279|3.836596|2.663345|5.033435|2.380269|2.133252|1.924926|1.908579|2.074284|2.332978|1.918514|1.739373|0.049350|3.074160|1.539647|3.748971|3.924020|5.104474|7.808402|6.725035|4.530047|17.887891|7.693637|36.858105| |17.594015|8.978325|7.541212|0.148412|4.640356|3.593560|4.142957|3.879746|3.659631|4.642007|2.715306|0.069874|2.652290|3.118887|3.877857|9.030960|5.442580|2.215088|3.758856|1.981797|2.018019|1.795800|1.614979|1.592477|1.739562|1.415731|1.357910|0.036742|2.604899|1.254409|2.444135|2.156278|1.956959|1.957406|2.170865|2.447032|2.399856|1.593642|1.704972|0.500000| |17.595200|8.683806|9.088879|0.180534|6.483700|4.820672|4.419777|3.781991|3.316268|4.050166|2.420871|0.064168|2.308828|2.615048|3.191437|6.918047|4.490813|1.958962|3.296735|1.798132|1.860425|1.686284|1.516318|1.478778|1.590923|1.323812|1.286013|0.034984|2.472309|1.192632|2.196853|1.997275|1.823106|1.797762|1.942727|2.153885|2.225276|1.501855|1.566913|0.302738|0.500000| 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|8.949443|17.691780|12.320856|0.215373|5.596195|4.136635|7.408277|7.260877|6.768654|7.558497|3.889081|0.098169|3.520642|4.123302|5.988564|14.396139|6.495896|2.758588|4.548429|2.427067|2.489049|2.159829|1.905730|1.872105|2.071497|1.631849|1.561913|0.042496|3.023848|1.415955|3.389478|2.913574|2.550948|2.499346|2.790667|3.277426|2.963411|1.944721|2.045594|0.218930|0.173049|0.214206|0.300196|0.500000| |7.076069|7.556253|12.362936|0.210719|17.679310|8.881130|5.645646|4.121415|3.425000|3.930495|2.377974|0.064380|2.176864|2.368228|2.887223|5.856670|3.934314|1.857377|3.103739|1.730647|1.805102|1.654040|1.488290|1.442577|1.538542|1.295722|1.270071|0.034888|2.441370|1.173727|2.199971|2.060026|1.892336|1.839350|1.939309|2.118369|2.288363|1.563014|1.587549|0.147689|0.245371|0.162202|0.207715|0.148359|0.500000| |4.988815|6.574757|12.410974|0.183193|17.623438|8.769214|7.454774|4.683515|3.895082|4.204721|2.551993|0.069433|2.252201|2.385476|2.926248|5.687326|3.856237|1.917172|3.195915|1.787092|1.858640|1.701466|1.533506|1.489150|1.589857|1.336210|1.310194|0.036265|2.512215|1.201892|2.416820|2.304915|2.129070|2.052948|2.133007|2.307535|2.552286|1.747158|1.746066|0.114411|0.145570|0.119593|0.202138|0.142228|0.302911|0.500000| |4.626167|4.766295|9.285438|0.218872|8.793403|17.555235|5.197218|4.115739|3.160193|3.737602|2.324752|0.065456|2.125932|2.272520|2.701200|5.269721|3.767375|1.831752|3.006011|1.758244|1.888093|1.762708|1.567434|1.487688|1.560311|1.335327|1.331108|0.036602|2.592327|1.233105|2.100618|2.007991|1.819419|1.721727|1.780829|1.955076|2.135463|1.485938|1.462104|0.101858|0.138980|0.131890|0.117483|0.111737|0.211959|0.172208|0.500000| |3.871918|4.150381|7.535756|0.148622|8.943229|17.589425|4.620132|3.499008|2.849652|3.314576|2.098327|0.058706|1.903008|2.003717|2.353915|4.519749|3.315833|1.660690|2.757672|1.590361|1.683499|1.578758|1.424211|1.363802|1.429108|1.235325|1.229654|0.034023|2.368366|1.140771|1.958856|1.900358|1.758268|1.676188|1.716954|1.847439|2.107366|1.473627|1.446041|0.089378|0.119958|0.102577|0.112555|0.096682|0.216186|0.211744|0.302666|0.500000| |3.824963|4.428945|9.141417|0.185301|8.714568|17.596228|6.395656|4.611488|3.479015|3.932143|2.466601|0.070259|2.179331|2.268960|2.706456|5.091802|3.670451|1.876852|3.070441|1.807103|1.938614|1.811857|1.613614|1.532086|1.605773|1.374399|1.372771|0.038079|2.667931|1.261957|2.270529|2.219087|2.016090|1.882966|1.915535|2.086176|2.334309|1.635089|1.575931|0.087936|0.109282|0.104675|0.115127|0.107630|0.172670|0.208346|0.300284|0.303050|0.500000| |4.142969|5.595443|12.420864|0.218272|7.478934|6.925587|17.669642|8.762163|5.670005|5.661531|3.368476|0.095635|2.803802|2.890026|3.635161|6.658631|4.466725|2.325727|3.753155|2.198047|2.350124|2.135890|1.878055|1.792969|1.912433|1.580135|1.560632|0.043348|3.044226|1.410011|3.068710|2.971171|2.618372|2.404497|2.458852|2.742221|2.896861|1.996251|1.917224|0.096826|0.107848|0.111764|0.143088|0.146842|0.147461|0.205657|0.159431|0.145529|0.239304|0.500000| |4.603563|7.172220|12.440772|0.182602|6.871697|5.094082|17.607599|8.694462|7.319473|6.490897|3.678969|0.098414|3.019483|3.148692|4.114503|7.644534|4.805637|2.461999|4.039470|2.246797|2.325705|2.070622|1.842316|1.797308|1.953982|1.582102|1.535724|0.042582|2.959501|1.383329|3.477808|3.257177|2.903444|2.748180|2.883029|3.223764|3.282941|2.198560|2.184766|0.111467|0.115603|0.115552|0.205818|0.194379|0.147980|0.218184|0.120342|0.117590|0.148154|0.303227|0.500000| |5.040934|6.545894|10.270176|0.233906|4.798291|4.227833|8.821104|17.592272|8.873936|10.165408|5.003036|0.137520|4.235741|4.729761|6.954318|13.121418|6.944476|3.201822|4.977388|2.926809|3.183305|2.734348|2.313433|2.202175|2.414035|1.877412|1.824196|0.049662|3.628074|1.631557|3.902777|3.418679|2.822778|2.605060|2.810809|3.391071|3.023452|2.027722|2.020992|0.120692|0.115061|0.151772|0.141343|0.224569|0.115757|0.119433|0.118457|0.094999|0.120743|0.187655|0.179029|0.500000| |3.638113|4.633498|7.882238|0.164357|4.296542|4.067479|8.864522|17.582193|8.831685|9.032910|5.171158|0.156974|3.967421|3.964784|5.137532|8.481324|5.740700|3.117854|4.802955|2.956717|3.267399|2.866615|2.421941|2.279592|2.462850|1.945283|1.914487|0.052940|3.817767|1.693176|4.226992|3.995300|3.230766|2.839897|2.927852|3.458381|3.275133|2.238465|2.124057|0.089441|0.089444|0.104496|0.112793|0.143347|0.099640|0.114030|0.108867|0.092850|0.127076|0.231737|0.185388|0.305176|0.500000| |3.273323|4.285079|6.098081|0.114100|3.524658|3.094343|6.375768|8.778142|17.625413|12.618048|7.165342|0.183414|4.703956|4.439854|5.809240|8.780744|6.100710|3.596332|5.692888|3.177984|3.230210|2.738928|2.401684|2.371311|2.662020|2.020889|1.926692|0.053597|3.731985|1.683855|6.973576|6.195039|4.796910|4.220568|4.470850|5.524005|4.559516|2.953798|2.864944|0.085800|0.079993|0.088640|0.114564|0.140539|0.085686|0.101178|0.080417|0.074946|0.091922|0.149107|0.187954|0.175110|0.221077|0.500000| |4.333572|6.196681|7.597471|0.135302|4.086251|3.320509|7.121250|8.785165|17.566471|12.578826|5.789865|0.136500|4.500247|4.814505|7.218632|12.404622|6.786422|3.371976|5.506445|2.877622|2.879553|2.436927|2.153214|2.145133|2.423043|1.844764|1.745573|0.047952|3.362902|1.550504|5.309896|4.334174|3.650584|3.539499|4.039217|5.009304|3.980460|2.532714|2.651879|0.115571|0.100814|0.112862|0.165498|0.231971|0.101931|0.115909|0.086639|0.079896|0.093686|0.145703|0.221373|0.200086|0.174379|0.304272|0.500000| |3.320469|3.365903|4.028083|0.085239|2.414715|2.177970|2.941427|3.568259|3.945401|7.013951|4.580791|0.109875|6.063201|10.169471|7.867235|14.027453|35.587876|4.746567|7.867810|3.788757|3.665560|2.954025|2.589021|2.622886|3.074468|2.200490|2.015439|0.052728|3.931375|1.818264|3.630152|2.906715|2.489389|2.473205|2.892374|3.599322|2.888874|1.883377|2.047265|0.097570|0.077872|0.099455|0.083472|0.112675|0.065966|0.063393|0.062163|0.054296|0.059519|0.071763|0.077729|0.113652|0.089550|0.093065|0.108840|0.500000| |2.308020|2.497565|3.456280|0.074162|2.134794|2.064078|2.805543|3.622713|3.811403|6.772068|6.236324|0.209907|7.280333|5.855744|4.805720|6.860738|8.695969|6.963864|8.659456|8.905402|17.722577|8.978496|5.711374|4.968374|5.622588|3.586258|3.406860|0.088262|7.507944|2.817445|4.462702|3.990281|3.135296|2.772308|2.931590|3.591181|3.162479|2.171812|2.099695|0.062292|0.057340|0.068667|0.063141|0.078691|0.055457|0.056891|0.058506|0.051346|0.059819|0.073648|0.072173|0.106272|0.107381|0.100968|0.090327|0.115506|0.500000| |1.843455|1.956173|2.766930|0.059487|1.783717|1.779910|2.215751|2.668213|2.675788|4.226115|3.613442|0.118278|3.813701|3.341578|2.981284|4.638580|5.479946|4.078089|5.924222|5.593373|8.836159|17.748263|8.905490|5.605401|4.904548|4.258385|4.676339|0.118648|12.573435|3.788881|3.053019|3.013748|2.544816|2.244163|2.266923|2.580621|2.672105|1.909959|1.781334|0.049500|0.047101|0.054628|0.050222|0.059255|0.046514|0.047698|0.050665|0.045040|0.051978|0.060455|0.057305|0.076566|0.081020|0.073529|0.065452|0.077069|0.214440|0.500000| |1.684679|1.800285|2.398889|0.049476|1.553193|1.480837|1.911448|2.241324|2.520841|4.123525|3.835348|0.105529|4.611065|3.696085|2.972072|4.504852|6.211282|7.190475|13.568357|8.901049|5.635737|4.904113|5.644654|8.909681|17.741161|6.436475|4.419777|0.111575|7.676536|3.477964|3.779935|3.537153|3.183191|3.036480|3.207087|3.568213|3.589084|2.465404|2.483380|0.047074|0.042780|0.048221|0.047770|0.055499|0.041212|0.042604|0.041181|0.038025|0.042356|0.050315|0.052175|0.062633|0.063357|0.070552|0.065163|0.082650|0.124018|0.106737|0.500000| |1.377191|1.460965|1.991701|0.041212|1.321739|1.287715|1.583503|1.803529|1.942982|2.988909|2.621836|0.076228|2.821552|2.421929|2.115214|3.335761|4.113171|3.521134|6.151304|4.417081|3.908788|4.290506|6.010192|8.735287|6.356041|17.584781|8.703733|0.225583|10.490088|5.960217|2.623613|2.682647|2.536761|2.361091|2.328147|2.441157|2.949423|2.160443|2.027946|0.038066|0.035612|0.039408|0.038988|0.043935|0.035029|0.036342|0.035833|0.033416|0.037100|0.042749|0.043108|0.049949|0.052116|0.055289|0.050225|0.057650|0.089060|0.100209|0.174267|0.500000| |1.385161|1.450304|1.966480|0.041009|1.302457|1.270487|1.541523|1.757694|1.871791|2.907323|2.497329|0.072023|2.793018|2.462996|2.114713|3.365146|4.320046|3.498029|6.105392|4.428574|4.001254|4.475080|6.359194|8.847947|6.237326|17.538513|8.705136|0.175946|11.301141|7.205780|2.408157|2.378344|2.210672|2.086048|2.112913|2.258459|2.596757|1.869428|1.811014|0.038402|0.035779|0.039945|0.038450|0.043622|0.034719|0.035535|0.035637|0.032944|0.036380|0.041477|0.041660|0.049487|0.050461|0.052263|0.048579|0.060408|0.091072|0.104781|0.165215|0.302027|0.500000| |1.287178|1.334332|1.833039|0.038576|1.226444|1.215209|1.424981|1.606924|1.658607|2.521341|2.091822|0.061500|2.273335|2.073461|1.838275|2.985561|3.661224|2.639094|4.460349|3.250050|3.318579|4.039427|5.348728|5.126015|3.844331|6.741442|8.865614|0.173796|12.671591|17.568523|1.978025|1.975012|1.833040|1.713188|1.719001|1.835171|2.153971|1.570157|1.496690|0.035402|0.033530|0.037378|0.035231|0.039649|0.032719|0.033269|0.034333|0.031620|0.034858|0.038825|0.038143|0.045514|0.046591|0.046101|0.042952|0.052412|0.079365|0.105184|0.096968|0.145868|0.209859|0.500000| |1.242463|1.294924|1.799535|0.037841|1.211724|1.210487|1.408377|1.579123|1.615436|2.416909|1.999117|0.059676|2.103037|1.911043|1.733027|2.820011|3.313413|2.376383|3.971030|2.900628|3.052225|3.799350|4.862900|4.344362|3.313978|5.419004|8.864994|0.214177|12.802342|17.582093|1.906439|1.947596|1.817837|1.676327|1.652824|1.749743|2.119652|1.569063|1.457953|0.033947|0.032516|0.035999|0.034264|0.038256|0.032176|0.032953|0.034119|0.031563|0.034952|0.038750|0.037674|0.044339|0.046297|0.045337|0.041635|0.047839|0.074279|0.103614|0.083178|0.129125|0.143233|0.300730|0.500000| |1.201795|1.253746|1.725065|0.036032|1.161743|1.150315|1.349212|1.508375|1.567680|2.353508|1.960542|0.057501|2.083455|1.884219|1.692451|2.748566|3.283517|2.410310|4.141105|2.899623|2.879334|3.387871|4.426170|4.541366|3.488670|6.642895|8.883769|0.212386|10.120706|17.553854|1.906058|1.941666|1.839708|1.720339|1.698786|1.779211|2.191730|1.621822|1.522376|0.033061|0.031419|0.034620|0.033361|0.037133|0.030945|0.031736|0.032284|0.030057|0.033086|0.036885|0.036402|0.042211|0.043777|0.044106|0.040737|0.047208|0.069439|0.087890|0.091348|0.167487|0.188882|0.300292|0.300844|0.500000| |2.161715|2.521824|3.569761|0.071175|2.263120|2.142793|3.212176|3.949614|4.806372|6.962963|7.010535|0.228977|4.818985|3.795289|3.863955|5.640836|5.380106|4.395398|6.758993|4.280268|4.228229|3.635929|3.275447|3.285147|3.684427|2.733827|2.587539|0.074182|4.972830|2.150072|8.919079|17.682244|8.996643|5.630116|4.978843|5.675772|5.708002|3.958971|3.283802|0.058047|0.054686|0.060374|0.067688|0.078231|0.057106|0.063990|0.057369|0.053930|0.063993|0.085670|0.089523|0.097153|0.120050|0.164540|0.111436|0.077018|0.120078|0.093369|0.095668|0.076486|0.067523|0.057278|0.057380|0.056224|0.500000| |1.836551|2.117239|2.942620|0.057583|1.943234|1.831744|2.566333|2.875725|3.431321|4.673086|4.111717|0.115622|3.319208|2.797701|2.831292|4.373330|4.214559|3.243768|5.511777|3.105391|2.916042|2.645992|2.557298|2.673668|2.940797|2.380608|2.231637|0.065138|4.063974|1.897274|5.648529|9.013199|17.787217|8.841024|5.637965|4.977461|9.655554|7.612817|4.637005|0.049998|0.047299|0.050304|0.058774|0.064037|0.049718|0.056175|0.048487|0.047221|0.054173|0.069094|0.074650|0.071493|0.083359|0.114724|0.087911|0.061424|0.079849|0.068292|0.081281|0.069349|0.059558|0.050148|0.050537|0.051004|0.220413|0.500000| |2.070577|2.359524|3.005694|0.057962|1.953923|1.755785|2.469228|2.730688|3.500219|5.044101|4.098029|0.096779|3.771549|3.396796|3.360721|5.269556|5.251918|3.616408|6.992549|2.975030|2.600558|2.242651|2.166872|2.362019|2.778365|2.099771|1.876556|0.052191|3.390277|1.647115|5.653312|4.987801|5.643036|8.826800|17.788966|9.047627|9.672673|4.639570|7.621943|0.059033|0.052399|0.055567|0.066925|0.073403|0.051702|0.056299|0.046793|0.045376|0.049823|0.062592|0.073777|0.070972|0.072045|0.104573|0.101145|0.077099|0.072354|0.056990|0.082221|0.060263|0.055315|0.045067|0.043080|0.044595|0.108073|0.123436|0.500000| |2.565745|2.952299|3.674046|0.071723|2.275166|2.021038|3.020393|3.587671|4.975773|8.350011|6.913385|0.139945|6.614457|5.891945|5.650126|8.060859|8.248719|5.479316|10.265861|3.960235|3.409563|2.760314|2.558744|2.757248|3.384052|2.334500|2.077620|0.056627|3.873324|1.807396|8.892006|5.679504|4.971278|5.623685|9.021401|17.711954|5.712242|3.283546|3.965933|0.073450|0.062843|0.069942|0.080751|0.097007|0.060029|0.064036|0.054546|0.051163|0.057080|0.074012|0.087778|0.095585|0.091898|0.137670|0.141925|0.117250|0.098319|0.069403|0.097331|0.064900|0.061609|0.050100|0.047164|0.048037|0.124270|0.107944|0.220995|0.500000| |1.638733|1.869546|2.572984|0.049863|1.748418|1.644473|2.187929|2.327870|2.701319|3.572762|2.921485|0.079906|2.508602|2.223161|2.268166|3.639072|3.471820|2.468717|4.358111|2.347341|2.205120|2.044811|2.012535|2.113872|2.285187|1.956301|1.841736|0.053703|3.287824|1.611871|3.726562|4.670314|6.925905|6.913208|4.615974|3.736384|12.370687|17.582130|5.745569|0.044942|0.042795|0.044339|0.053002|0.055427|0.045223|0.051223|0.043239|0.043125|0.048216|0.059263|0.064914|0.058460|0.065963|0.087155|0.072720|0.051494|0.060488|0.053481|0.064599|0.057458|0.049975|0.042734|0.043100|0.043995|0.117043|0.244294|0.113845|0.086709|0.500000| |1.500989|1.685486|2.281289|0.044328|1.560280|1.463480|1.890859|1.997000|2.302805|3.103273|2.514865|0.067596|2.257762|2.027989|2.034731|3.300812|3.235816|2.271771|4.131904|2.144485|1.980880|1.843890|1.844546|1.970435|2.133496|1.858063|1.727864|0.050127|3.033611|1.529755|3.132285|3.613989|4.897872|5.729077|4.239186|3.328449|12.526120|17.645605|7.536785|0.041613|0.039324|0.040552|0.047967|0.049831|0.040893|0.045536|0.038694|0.038636|0.042406|0.050882|0.055978|0.051123|0.055776|0.071729|0.063272|0.048069|0.053849|0.047997|0.061665|0.055109|0.048057|0.040696|0.040670|0.042209|0.089884|0.148619|0.113643|0.080167|0.303802|0.500000| |1.540825|1.730164|2.357254|0.046249|1.590470|1.501579|1.970539|2.138630|2.479661|3.431286|2.907456|0.079349|2.593587|2.256523|2.220592|3.527716|3.556974|2.673620|4.821356|2.565258|2.341248|2.178266|2.199229|2.376401|2.582235|2.225015|2.051375|0.060122|3.584364|1.778127|3.707764|4.545095|6.566518|6.866253|4.702361|3.775871|12.223943|17.498545|6.221724|0.042549|0.040094|0.042066|0.048512|0.051667|0.041483|0.045941|0.039966|0.039319|0.043739|0.053052|0.057433|0.054853|0.060592|0.077755|0.066396|0.052073|0.062631|0.055987|0.074643|0.066862|0.056533|0.046887|0.047002|0.048963|0.113022|0.215430|0.117464|0.088145|0.300283|0.301164|0.500000| |1.638605|1.823731|2.381041|0.046395|1.593987|1.467490|1.934651|2.090676|2.499951|3.541394|2.909791|0.073957|2.751423|2.470071|2.394962|3.844614|3.975865|2.833333|5.499070|2.515745|2.210320|1.989147|1.993144|2.203126|2.504533|2.044466|1.825151|0.051561|3.198176|1.612827|3.717818|3.788120|4.720363|6.873728|6.566616|4.559993|12.221494|6.209734|17.505158|0.046371|0.042318|0.044285|0.051694|0.055079|0.042324|0.045952|0.039202|0.038449|0.041838|0.050567|0.057077|0.054691|0.056803|0.075086|0.070283|0.058433|0.059758|0.050664|0.075566|0.060442|0.053821|0.043630|0.042113|0.044458|0.088341|0.117720|0.215224|0.113419|0.131254|0.166319|0.159624|0.500000| 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