Version2.0 2020-02-01T22:48:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1ccc(cc1)C[NH+](Cc2ccccc2)Cc3ccc(o3)C(=O)N[C@H]4CCCCNC4=O C35247021 RHF 6-31G(d) (6D,7F) CC(C)(C)c1ccc(cc1)C[NH+](Cc2ccccc2)Cc3ccc(o3)C(=O)N[C@H]4CCCCNC4=O C01[X(C30H38N3O3)] 216 C1 616 O=C(c1ccc(o1)C[NH+](Cc1ccc(cc1)C(C)(C)C)Cc1ccccc1)N[C@H]1CCCCNC1=O O=C(c1ccc(o1)C[NH+](Cc1ccc(cc1)C(C)(C)C)Cc1ccccc1)N[C@H]1CCCCNC1=O CC(C)(C)c1ccc(C[NH+](Cc2oc(cc2)C(=O)N[C@H]3CCCCNC3=O)Cc4ccccc4)cc1 InChIKey=RUSHVDAYGOCGHH-SANMLTNESA-O InChI=1S/C30H37N3O3/c1-30(2,3)24-14-12-23(13-15-24)20-33(19-22-9-5-4-6-10-22)21-25-16-17-27(36-25)29(35)32-26-11-7-8-18-31-28(26)34/h4-6,9-10,12-17,26H,7-8,11,18-21H2,1-3H3,(H,31,34)(H,32,35)/p+1/t26-/m0/s1 InChI=1/C30H37N3O3/c1-30(2,3)24-14-12-23(13-15-24)20-33(19-22-9-5-4-6-10-22)21-25-16-17-27(36-25)29(35)32-26-11-7-8-18-31-28(26)34/h4-6,9-10,12-17,26H,7-8,11,18-21H2,1-3H3,(H,31,34)(H,32,35)/p+1/t26-/m0/s1/fC30H38N3O3/h31-33H/q+1 CC(C)(C)c1ccc(cc1)C[NH+](Cc2ccccc2)Cc3ccc(o3)C(=O)N[C@H]4CCCCNC4=O C01[X(C30H38N3O3)] 216 C01 616 O=C(c1ccc(o1)C[NH+](Cc1ccc(cc1)C(C)(C)C)Cc1ccccc1)N[C@H]1CCCCNC1=O O=C(c1ccc(o1)C[NH](Cc1ccc(cc1)C(C)(C)C)Cc1ccccc1)N[C@H]1CCCCNC1=O CC(C)(C)c1ccc(C[NH](Cc2oc(cc2)C(=O)N[C@H]3CCCCNC3=O)Cc4ccccc4)cc1 InChIKey=LCKBTKCKIAVKSV-SANMLTNESA-N InChI=1S/C30H38N3O3/c1-30(2,3)24-14-12-23(13-15-24)20-33(19-22-9-5-4-6-10-22)21-25-16-17-27(36-25)29(35)32-26-11-7-8-18-31-28(26)34/h4-6,9-10,12-17,26,33H,7-8,11,18-21H2,1-3H3,(H,31,34)(H,32,35)/t26-/m0/s1 InChI=1/C30H38N3O3/c1-30(2,3)24-14-12-23(13-15-24)20-33(19-22-9-5-4-6-10-22)21-25-16-17-27(36-25)29(35)32-26-11-7-8-18-31-28(26)34/h4-6,9-10,12-17,26,33H,7-8,11,18-21H2,1-3H3,(H,31,34)(H,32,35)/t26-/m0/s1/f/h31-32H 3766.4073424329 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1667.6876 1671.7644 1692.7212 1695.0011 1753.2640 1763.5014 1785.5915 1806.6533 1815.2926 1827.9911 1958.0786 1976.4972 3203.5607 3206.2589 3207.4143 3208.7834 3211.0951 3211.4827 3216.8496 3244.6135 3252.5275 3270.4390 3275.0471 3276.5082 3277.4831 3280.6173 3281.3047 3282.2156 3283.4151 3287.5452 3288.8400 3289.1872 3305.7652 3334.8625 3342.2513 3351.8139 3353.5664 3358.0640 3358.7820 3359.9674 3381.9080 3393.1854 3399.5021 3404.3823 3422.7866 3439.1360 3475.7845 3702.6215 3841.6448 3892.3517 5.6273 4.5798 5.2924 4.2119 4.3399 3.7718 4.7654 5.0991 4.7193 4.0958 5.4882 4.1878 4.9968 4.9124 4.8209 3.8348 3.4647 5.3649 3.7547 4.6742 3.6325 3.2057 2.2798 2.9340 1.9199 2.6940 1.0996 3.1227 2.8087 3.7491 2.9591 3.0404 2.3462 1.0728 2.6264 2.7276 2.3023 2.8634 2.8300 3.4941 3.9392 3.2606 2.9038 2.9158 2.4882 1.3503 3.1055 3.4314 2.6559 3.5791 3.0709 2.1608 3.0613 1.9707 3.8662 2.9014 6.3015 6.8104 5.0822 3.9307 3.7552 2.3682 2.5280 2.9050 3.7352 3.8965 1.9584 4.2576 3.2256 3.1548 3.6286 2.6027 2.6095 2.7171 2.9206 1.3721 1.3485 1.4341 1.4146 2.2204 2.3323 1.5971 2.8104 1.7189 1.7112 1.4462 1.1962 1.4145 3.5319 2.7874 3.9641 5.7159 1.7236 1.5239 1.9683 1.9356 1.9663 1.7270 1.4704 2.1971 2.1625 2.2390 1.5414 1.3630 2.0381 1.3924 1.8224 2.4022 2.6434 2.2084 1.9813 1.9602 2.4181 2.8359 2.5052 1.1556 1.3828 1.3351 2.3692 1.4209 1.6089 2.1544 1.7018 2.6368 1.2586 1.9993 1.7843 2.1620 1.5295 1.5093 2.8325 1.3140 1.3275 1.5724 1.3006 1.2909 1.5541 1.3906 1.2556 1.3065 1.6528 1.8746 1.4747 1.5594 1.3465 1.2353 1.4409 1.5375 1.4201 1.6873 1.3056 1.2171 1.1853 2.0431 1.1231 1.0488 1.1033 1.0485 1.3304 1.0541 1.1495 1.1035 1.1123 1.0652 1.0510 1.1234 1.0621 2.1723 2.2392 2.2081 4.8424 5.5306 5.1366 5.1109 5.2558 6.4251 10.4679 8.1008 1.0630 1.0365 1.0701 1.0358 1.0730 1.0689 1.0375 1.0984 1.1019 1.1036 1.1035 1.1037 1.1031 1.0967 1.0639 1.1030 1.0644 1.1017 1.0952 1.0643 1.0878 1.0914 1.0919 1.1051 1.0925 1.0936 1.1047 1.1064 1.0907 1.0950 1.0929 1.0989 1.0924 1.0992 1.1013 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136.79 165.77 186.87 219.20 233.09 275.44 298.38 313.62 325.94 342.23 361.90 378.77 390.62 426.60 472.19 485.07 497.73 507.91 516.77 519.33 531.77 538.90 554.64 567.59 586.25 590.04 605.90 631.28 651.05 655.23 660.19 707.84 711.63 721.23 756.59 779.62 802.49 829.07 866.10 905.40 938.65 948.11 971.27 976.35 1009.00 1020.58 1057.60 1067.14 1118.10 1140.60 1170.76 1176.37 1204.86 1215.79 1225.06 1251.08 1270.97 1281.00 1319.50 1324.81 1339.69 1360.03 1373.69 1375.85 1386.00 1387.65 1406.49 1414.73 1422.24 1431.37 1458.92 1470.68 1487.62 1516.43 1520.34 1526.03 1540.15 1549.83 1567.45 1577.38 1579.42 1585.53 1597.20 1600.90 1601.90 1603.13 1621.11 1627.05 1635.08 1649.14 1652.50 1658.01 1659.47 1712.40 1727.18 1734.58 1770.12 1775.53 1777.39 1786.62 1838.63 1847.24 1878.86 1895.23 1897.08 1903.70 1906.29 1920.93 1927.62 1934.65 1943.39 1959.08 1962.17 1985.63 1993.67 2009.09 2018.38 2030.38 2060.25 2061.96 2113.12 2125.46 2142.38 2145.77 2170.55 2183.01 2188.82 2210.31 2214.26 2219.52 2229.44 2238.26 2240.69 2242.61 2257.14 2264.11 2274.32 2280.94 2287.27 2334.07 2336.12 2345.96 2346.36 2349.66 2349.88 2354.94 2355.43 2367.48 2369.70 2375.96 2376.43 2385.71 2388.98 2399.43 2405.30 2435.45 2438.73 2522.56 2537.29 2569.07 2599.37 2611.80 2630.07 2817.24 2843.74 4609.21 4613.09 4614.75 4616.72 4620.05 4620.61 4628.33 4668.28 4679.66 4705.43 4712.06 4714.16 4715.57 4720.08 4721.07 4722.38 4724.10 4730.04 4731.91 4732.41 4756.26 4798.12 4808.75 4822.51 4825.03 4831.51 4832.54 4834.24 4865.81 4882.04 4891.13 4898.15 4924.63 4948.15 5000.88 5327.25 5527.27 5600.23 0.687894 0.720101 0.721045 0.617437 -1545.248059 -1545.215851 -1545.214907 -1545.318516 3.475063D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CC(C)(C)c1ccc(cc1)C[NH+](Cc2ccccc2)Cc3ccc(o3)C(=O)N[C@H]4CCCCNC4=O C35247021 RHF 6-31G(d) (6D,10F) C1 488.291317 |X|Y|Z| 85.263584 126.288743 42.235307 76.901467 30 6 7 8 26 3 1 |36.858105| |12.357810|36.858105| |7.559947|12.359064|36.858105| |7.643637|12.402067|7.645326|36.858105| |7.585094|12.388051|7.583438|7.464913|36.858105| |6.224376|7.489195|6.228351|4.938427|13.607687|36.858105| |4.389188|4.979806|4.382494|3.827654|7.851342|13.821819|36.858105| |3.758261|4.368056|3.753554|3.688080|6.746104|7.910591|13.667597|36.858105| |4.010927|4.944410|4.000710|4.454909|7.857867|6.921054|7.988454|13.768370|36.858105| |5.284393|7.399171|5.266771|6.593059|13.709989|8.008923|6.912004|7.903211|13.718918|36.858105| |2.923360|3.247799|2.917259|2.872336|4.401181|5.035167|7.583625|12.660686|7.554965|5.014569|36.858105| |2.571855|2.891164|2.742598|2.573074|3.736358|4.282664|5.960671|7.605096|5.466086|4.078429|12.539002|53.358707| |2.707906|3.054735|2.968175|2.646566|3.954595|4.774328|6.801409|7.441895|5.181118|4.091470|9.291935|25.716334|0.500000| |2.437050|2.821510|2.712775|2.599825|3.565256|3.795217|4.748960|6.104729|5.326740|4.059624|7.572904|17.124559|0.258808|36.858105| |2.217893|2.560796|2.571553|2.361861|3.092375|3.307949|3.910255|4.437176|3.978881|3.341662|4.973154|10.346287|0.206546|12.639524|36.858105| |2.352540|2.754162|2.876668|2.493702|3.281455|3.558727|4.053243|4.254580|3.821833|3.392314|4.324644|8.148095|0.190080|7.598502|13.678708|36.858105| |2.092271|2.409285|2.576585|2.206959|2.746668|2.948107|3.223060|3.272116|3.011982|2.779785|3.317253|5.839060|0.132941|5.035562|7.911978|13.773829|36.858105| |1.828357|2.069025|2.177471|1.930185|2.330011|2.470057|2.706132|2.801282|2.608508|2.391729|2.940902|5.127947|0.110706|4.444251|6.854110|7.940208|13.727328|36.858105| |1.762523|1.983026|2.036041|1.867262|2.258678|2.380029|2.659677|2.848572|2.655286|2.373138|3.117074|5.551079|0.113462|5.019759|7.913748|6.873404|7.933610|13.760794|36.858105| |1.910209|2.162660|2.174830|2.031485|2.529737|2.669548|3.073977|3.430689|3.162352|2.721659|3.911207|7.429141|0.143427|7.555808|13.717510|7.933840|6.871854|7.938684|13.738385|36.858105| |2.183736|2.377398|2.277254|2.147111|2.924361|3.316226|4.316071|4.978658|3.915561|3.118774|7.558146|17.177626|0.259278|7.608340|6.125879|4.780505|3.811908|3.600966|4.069648|5.333561|36.858105| |2.164293|2.293072|2.207825|2.036961|2.778546|3.258248|4.226214|4.424059|3.425508|2.843283|6.076618|10.391698|0.206961|5.004721|4.465119|3.943837|3.331292|3.127254|3.359369|3.997851|12.810593|36.858105| |2.058926|2.163137|2.131955|1.909707|2.556660|3.023493|3.756615|3.678593|2.932726|2.539587|4.496248|7.524371|0.167750|4.085308|4.003054|3.777451|3.356551|3.158828|3.278257|3.672928|7.374677|14.177210|36.858105| |2.020019|2.067239|2.022650|1.819921|2.406478|2.855079|3.464564|3.296613|2.665913|2.355396|3.876199|5.767411|0.125817|3.248589|3.114349|3.002138|2.721843|2.566982|2.630127|2.884100|5.157076|8.579183|13.283817|36.858105| |2.095449|2.125981|2.030715|1.878535|2.502945|2.954607|3.651104|3.565128|2.858117|2.483700|4.341937|5.969093|0.123764|3.283597|2.990223|2.814049|2.498503|2.354819|2.449925|2.748544|5.332186|8.767329|8.601508|14.206662|36.858105| |2.189309|2.265738|2.137015|2.014237|2.736270|3.203378|4.130844|4.305778|3.356120|2.796859|5.855227|8.014726|0.155182|4.091019|3.532045|3.185920|2.735108|2.572931|2.738831|3.196269|7.835668|14.125493|8.617365|8.604064|14.083291|73.516695| |2.032877|2.012403|1.901450|1.788861|2.326017|2.703855|3.217103|3.119741|2.587326|2.296430|3.619347|4.673745|0.095712|2.709381|2.460315|2.339307|2.104882|1.992157|2.061534|2.282519|3.904470|5.310094|5.168777|7.436104|12.783218|13.757962|36.858105| |1.945968|1.903717|1.818248|1.689896|2.157081|2.503049|2.885294|2.728865|2.305446|2.095853|3.035659|3.982123|0.083205|2.378450|2.210579|2.143202|1.962620|1.859043|1.899296|2.063369|3.241598|4.243745|4.451406|6.503975|8.206211|9.603519|15.902751|73.516695| |2.027437|2.000335|1.856083|1.800751|2.317734|2.635524|3.123690|3.140397|2.652322|2.333069|3.686333|4.529926|0.089599|2.664468|2.360545|2.209858|1.974031|1.876337|1.962568|2.195868|3.730366|4.663596|4.177944|5.165748|7.924907|12.277511|14.168721|15.006108|53.358707| |1.953334|1.889682|1.743248|1.715417|2.144152|2.394627|2.733261|2.723295|2.380417|2.146613|3.043113|3.700026|0.073615|2.262669|2.022133|1.915454|1.729981|1.646826|1.710580|1.890707|2.928346|3.445736|3.189337|3.815530|5.042738|8.072202|7.769478|12.014765|17.707607|36.858105| |2.068685|1.970562|1.817212|1.770991|2.221241|2.505777|2.823225|2.733441|2.384645|2.184365|2.958053|3.582251|0.072571|2.192243|1.970706|1.895014|1.714713|1.618380|1.662410|1.826483|2.762531|3.256621|3.085131|3.727248|4.757237|7.413799|7.221870|12.565670|12.530272|17.648257|0.500000| |1.694828|1.643040|1.535828|1.507370|1.831527|2.019201|2.260359|2.252666|2.007118|1.832509|2.497700|3.147813|0.062832|1.975733|1.803754|1.712621|1.572551|1.515532|1.575288|1.717433|2.526540|2.939502|2.813649|3.363475|4.144998|6.512794|5.947938|10.548398|10.280625|12.390563|0.248586|36.858105| |1.552068|1.525723|1.432425|1.414554|1.701855|1.855576|2.083864|2.120253|1.905303|1.725826|2.396256|3.077390|0.060585|1.956626|1.793287|1.680685|1.549889|1.513353|1.591576|1.735538|2.532829|2.898039|2.749241|3.194257|3.864222|6.307169|5.011715|8.414780|8.440601|7.289656|0.151334|12.461921|36.858105| |1.530395|1.510153|1.405416|1.416323|1.686152|1.809982|2.027714|2.108082|1.925623|1.735827|2.392113|3.026420|0.058605|1.952510|1.768112|1.640122|1.505407|1.474377|1.562995|1.716631|2.469142|2.712666|2.498309|2.774633|3.336771|5.828824|4.022457|6.487540|7.029324|5.946794|0.126066|7.365658|12.453072|36.858105| |1.676384|1.666036|1.533441|1.563303|1.888969|2.023894|2.303570|2.451075|2.230959|1.973400|2.848657|3.509741|0.066664|2.240561|1.980797|1.813032|1.639664|1.598539|1.707417|1.907361|2.864751|3.091701|2.729231|2.960645|3.677094|6.827455|4.291146|6.487587|8.075822|6.254424|0.129677|5.972152|7.424859|12.469038|36.858105| |1.869802|1.836111|1.665128|1.714380|2.091856|2.244576|2.552518|2.705328|2.460520|2.180781|3.085190|3.642242|0.069527|2.300211|2.004934|1.852254|1.660126|1.596165|1.688398|1.893123|2.861119|3.086101|2.706679|2.947428|3.712511|6.921195|4.445359|6.697131|8.815092|7.666034|0.159594|6.022814|5.882511|7.538101|13.050723|53.358707| |2.004682|1.935746|1.753495|1.780908|2.200036|2.400829|2.719111|2.788217|2.497532|2.244197|3.095533|3.630233|0.070849|2.258482|1.982000|1.862171|1.670199|1.589529|1.659815|1.849134|2.801665|3.118616|2.794692|3.143241|4.010173|7.095895|5.181936|7.956107|10.680127|12.477699|0.254712|7.433442|5.809237|6.067745|7.484000|19.058942|36.858105| |2.141324|2.030939|1.817329|1.869255|2.289087|2.477952|2.748394|2.786132|2.536056|2.319474|2.974643|3.432031|0.067551|2.159930|1.894339|1.798767|1.612892|1.524289|1.579180|1.753480|2.562717|2.801442|2.534452|2.811184|3.464431|6.155776|4.288066|6.889503|7.782331|8.050614|0.220801|5.564532|4.378759|4.552585|5.290241|11.623980|15.900740|73.516695| |17.571327|8.682377|6.866085|5.507135|6.841013|6.797976|4.712020|3.798417|3.813781|4.709660|2.981402|3.591814|0.078415|2.443286|2.238677|2.391547|2.132351|1.856580|1.781629|1.925173|2.255078|2.279419|2.192883|2.174158|2.245885|4.113505|2.183489|3.744469|2.927572|2.068768|0.061561|1.787346|1.621163|1.581563|1.724036|2.621285|2.092452|3.971573|0.500000| |17.558191|8.734630|5.482484|6.905117|6.908361|5.650898|4.272243|3.805529|4.137346|5.369099|2.982725|3.476724|0.073386|2.405521|2.152059|2.235663|1.978838|1.748869|1.707393|1.864671|2.182495|2.160867|2.030399|2.005505|2.114337|3.948554|2.076873|3.514005|2.865270|2.048887|0.060286|1.765055|1.611408|1.601170|1.764846|2.712214|2.139375|4.119031|0.301721|0.500000| |17.559642|8.789364|6.902850|7.070921|5.507300|4.682847|3.537025|3.111918|3.323165|4.229405|2.512095|3.073003|0.065830|2.168294|2.006181|2.133884|1.931525|1.700932|1.633868|1.751192|1.949347|1.933902|1.857179|1.827454|1.882460|3.467827|1.836083|3.152746|2.489228|1.776704|0.052220|1.562308|1.435672|1.416136|1.537906|2.318845|1.820171|3.454007|0.302528|0.301450|0.500000| |6.906301|8.788149|17.561184|7.065890|5.506291|4.685710|3.533997|3.109183|3.316754|4.219123|2.508170|3.228964|0.070590|2.358418|2.260554|2.508250|2.299241|1.975655|1.847966|1.951372|2.016020|1.965389|1.911263|1.829726|1.834742|3.401040|1.736534|2.976351|2.312123|1.612490|0.046756|1.433778|1.338335|1.314222|1.424002|2.099826|1.623874|3.001931|0.170274|0.140799|0.207200|0.500000| |5.481348|8.732567|17.548274|6.912268|6.898677|5.648429|4.257100|3.793987|4.115426|5.334156|2.969619|3.894654|0.086053|2.920931|2.809267|3.202392|2.863049|2.385699|2.209952|2.355120|2.349187|2.235514|2.153793|2.008784|2.002882|3.784240|1.852133|3.132173|2.458215|1.682075|0.048264|1.488372|1.401048|1.378164|1.506688|2.207450|1.690679|3.086064|0.140016|0.122352|0.140789|0.301547|0.500000| |6.862770|8.682850|17.568119|5.507507|6.843637|6.808065|4.706203|3.795283|3.806471|4.698941|2.975956|3.853532|0.087020|2.731551|2.617874|2.971490|2.673743|2.239805|2.076133|2.206915|2.362374|2.332635|2.285037|2.178084|2.165204|4.002465|2.019457|3.454923|2.647361|1.818546|0.053011|1.599604|1.483170|1.441667|1.566243|2.313288|1.805398|3.316640|0.204325|0.140051|0.170014|0.302616|0.301433|0.500000| |6.945503|8.707862|5.506066|17.557749|6.718081|4.571657|3.702407|3.691489|4.584909|6.691912|2.902091|3.452047|0.071229|2.546925|2.271860|2.344583|2.067028|1.831150|1.795859|1.969049|2.131151|2.018986|1.873416|1.795976|1.877436|3.596175|1.804613|3.017146|2.504914|1.766012|0.050540|1.545989|1.450292|1.463499|1.624502|2.444142|1.859848|3.498718|0.140500|0.206336|0.174784|0.143012|0.140433|0.122190|0.500000| |5.504245|8.705339|6.933318|17.551865|6.727036|4.576244|3.703075|3.693305|4.583294|6.685312|2.901161|3.606527|0.075363|2.761319|2.523330|2.674007|2.360707|2.057281|1.986832|2.162766|2.192415|2.044755|1.912045|1.798077|1.845150|3.546425|1.738235|2.907881|2.377381|1.650372|0.046942|1.457037|1.379469|1.384273|1.530313|2.262534|1.709527|3.156983|0.122162|0.140422|0.142952|0.174164|0.206176|0.140376|0.300436|0.500000| |7.040308|8.844172|7.053733|17.575471|5.471531|4.073598|3.232221|3.074483|3.558113|4.803726|2.481213|3.078304|0.064822|2.282340|2.113894|2.242804|2.025849|1.785637|1.718773|1.845332|1.925668|1.844772|1.749531|1.679303|1.723831|3.247218|1.653206|2.802318|2.258313|1.593529|0.045838|1.413142|1.325693|1.324639|1.449218|2.155225|1.648237|3.080920|0.143164|0.171275|0.215659|0.215935|0.171889|0.143275|0.302869|0.302757|0.500000| |6.553390|6.971968|6.547802|4.504099|8.869628|17.748837|9.025174|5.655904|4.979880|5.669751|4.121323|5.016823|0.115971|3.264547|2.967956|3.256052|2.792233|2.345663|2.229520|2.446317|2.993746|3.040976|2.922414|2.818907|2.867098|5.332553|2.654902|4.467076|3.460986|2.334786|0.068859|1.985387|1.808617|1.744493|1.921894|2.892671|2.302687|4.239829|0.228516|0.154533|0.139105|0.139108|0.154163|0.228340|0.113558|0.113559|0.108903|0.500000| |3.810463|4.083138|3.793233|3.210809|5.616271|8.976550|17.667600|8.858960|5.655102|4.969120|7.006892|8.180269|0.203122|4.460763|3.820199|3.978116|3.226865|2.725373|2.669588|3.052961|4.630742|4.910303|4.475170|4.183821|4.363671|8.550411|3.739638|5.953134|4.756517|2.985639|0.086454|2.449810|2.235447|2.133793|2.404676|3.608895|2.871661|5.089720|0.117744|0.102660|0.087901|0.087643|0.101813|0.117126|0.086263|0.086139|0.077910|0.219524|0.500000| |3.385155|4.050492|3.371585|3.924817|5.624273|4.975272|5.655382|8.906087|17.691906|8.946156|6.961140|7.061638|0.128677|5.439113|3.945352|3.616513|2.879430|2.558231|2.665640|3.218678|3.855517|3.264196|2.760414|2.500030|2.696044|5.695981|2.452285|3.867307|3.476522|2.300232|0.063072|1.956608|1.884479|1.932979|2.260030|3.363991|2.449413|4.390921|0.088655|0.098316|0.080559|0.080302|0.097535|0.088364|0.115113|0.114858|0.089165|0.107951|0.123883|0.500000| |4.908642|6.811062|4.882319|7.613693|8.891691|5.664234|4.977925|5.663546|9.009411|17.780342|4.109871|4.715731|0.094984|3.585796|3.017674|3.039997|2.551456|2.231577|2.222559|2.523605|2.747872|2.495129|2.244241|2.091056|2.200215|4.373154|2.057084|3.358963|2.865459|1.962546|0.055248|1.696222|1.608457|1.631016|1.847426|2.765528|2.070257|3.816642|0.116256|0.141303|0.114629|0.114139|0.139888|0.115827|0.232183|0.230631|0.148426|0.124004|0.107894|0.219408|0.500000| |2.698257|2.991639|2.661382|2.751519|3.929127|4.178672|5.586708|8.817938|7.172672|4.718993|17.622423|12.371514|0.182418|7.249800|4.645470|3.878692|3.044251|2.778007|3.018172|3.828871|6.687691|5.126892|3.846348|3.372982|3.810846|9.048242|3.291311|4.920385|4.732885|2.926635|0.077628|2.428679|2.373289|2.430198|2.949609|4.321381|3.074057|5.236367|0.074926|0.077610|0.065216|0.064525|0.075649|0.073901|0.078636|0.077899|0.066164|0.096475|0.141004|0.217614|0.112987|0.500000| |2.824283|3.014668|2.714536|2.641687|3.956419|4.689582|6.979668|8.881889|5.764547|4.256513|17.673408|12.375153|0.215475|5.599750|4.149336|3.714811|2.977309|2.679733|2.824761|3.434388|7.444730|7.140498|5.054224|4.559696|5.485838|14.060401|4.510825|6.456076|6.311132|3.660119|0.098330|2.898233|2.739311|2.701467|3.257719|4.882749|3.668749|6.159443|0.081585|0.080686|0.067598|0.065596|0.075200|0.078112|0.074489|0.072692|0.064337|0.111400|0.203910|0.146832|0.098604|0.301782|0.500000| |2.719156|3.252268|3.084862|3.011856|4.234503|4.332908|5.300523|7.232649|6.915320|5.071355|7.487185|12.423947|0.216711|17.668103|8.882299|6.997817|4.692673|3.991594|4.260941|5.767692|5.618692|4.168592|3.510227|2.915366|2.975769|6.419303|2.528423|3.985890|3.415509|2.173178|0.059095|1.889411|1.851792|1.856148|2.127942|3.024134|2.197539|3.799364|0.074599|0.074370|0.066634|0.073396|0.093717|0.084697|0.081633|0.090391|0.072047|0.100025|0.128834|0.196276|0.122959|0.200522|0.147788|0.500000| |2.230721|2.541851|2.413089|2.397909|3.141715|3.262548|3.978472|5.142381|4.752668|3.640653|6.702136|12.379938|0.182512|17.621212|8.811737|5.591449|4.177163|3.962815|4.729274|7.191732|7.259291|4.668291|3.741447|3.039778|3.136870|7.027088|2.629023|4.078161|3.594367|2.249998|0.059744|1.977155|1.987654|2.013292|2.334207|3.222316|2.275265|3.840096|0.061681|0.061990|0.055573|0.059189|0.071534|0.066851|0.066303|0.070615|0.058856|0.078780|0.104412|0.144830|0.092224|0.207926|0.143965|0.301485|0.500000| |2.699335|3.235851|3.425059|2.852825|3.946918|4.357240|4.917477|4.968637|4.410026|3.984241|4.658076|8.253962|0.205990|7.039357|8.871425|17.674919|8.939392|5.648454|4.949386|5.635161|4.503028|3.860359|3.688018|3.008377|2.848717|5.695999|2.389582|3.902116|3.072455|1.966378|0.054579|1.740613|1.686807|1.643312|1.819616|2.566790|1.916664|3.323628|0.076468|0.070326|0.067229|0.080863|0.107397|0.099174|0.073409|0.085057|0.070455|0.109377|0.130718|0.110774|0.096563|0.112083|0.109838|0.204935|0.141394|0.500000| |2.122184|2.443994|2.688850|2.224392|2.725188|2.927956|3.101106|3.042230|2.822997|2.687161|2.985536|5.008994|0.115824|4.106605|5.635935|8.932301|17.732347|8.904947|5.644508|4.952642|3.272164|2.982662|3.069784|2.561041|2.339480|4.455641|1.997692|3.353374|2.538714|1.650714|0.045819|1.504855|1.473065|1.424841|1.540663|2.133528|1.589570|2.746422|0.060336|0.055098|0.054816|0.066997|0.083521|0.078306|0.057189|0.065984|0.057254|0.078684|0.086478|0.073925|0.068706|0.075691|0.075553|0.110960|0.096199|0.216079|0.500000| |1.696180|1.902352|2.018841|1.783941|2.101820|2.217607|2.387192|2.436319|2.289645|2.136134|2.530940|4.252931|0.091712|3.553603|4.943313|5.649407|8.912461|17.731816|8.922609|5.647190|3.041814|2.733215|2.813613|2.343582|2.140223|4.079104|1.834859|3.077870|2.348248|1.528116|0.041811|1.419321|1.418818|1.379171|1.481529|2.007815|1.471418|2.512814|0.047883|0.044987|0.044221|0.051497|0.061202|0.057749|0.046955|0.052661|0.046316|0.059285|0.067051|0.062361|0.055853|0.066751|0.065098|0.090833|0.090256|0.124287|0.214821|0.500000| |1.605472|1.787318|1.828235|1.698066|2.010883|2.104645|2.331271|2.492493|2.346940|2.113114|2.736914|4.695098|0.094525|4.092705|5.638744|4.953499|5.642915|8.914869|17.733002|8.922754|3.573240|3.020166|2.966657|2.430145|2.270689|4.466614|1.933741|3.182176|2.516293|1.621558|0.043599|1.509548|1.538684|1.515078|1.644671|2.192532|1.574187|2.655341|0.045015|0.043395|0.041595|0.046556|0.054732|0.051636|0.045612|0.050017|0.043713|0.055112|0.065162|0.066048|0.055541|0.074796|0.070041|0.098326|0.112505|0.107487|0.124090|0.214943|0.500000| |1.814944|2.034482|2.013566|1.930894|2.375876|2.485054|2.870443|3.271534|3.047765|2.592585|3.856398|7.055683|0.128320|6.976623|8.890837|5.636005|4.949981|5.650303|8.929407|17.696827|5.433937|3.958496|3.525667|2.809899|2.734255|5.736439|2.287142|3.646195|3.038973|1.920690|0.051006|1.750766|1.790826|1.789551|2.002005|2.675556|1.892473|3.169206|0.050624|0.049733|0.046269|0.050486|0.059985|0.056416|0.052612|0.056873|0.048755|0.063059|0.079019|0.088398|0.067397|0.109356|0.094836|0.147220|0.218910|0.123763|0.107495|0.124286|0.215912|0.500000| |2.022432|2.215025|2.163435|2.018747|2.667344|2.977954|3.710164|4.152132|3.436728|2.826355|5.583574|12.390091|0.216648|7.472707|7.236226|5.331051|4.352885|4.281896|5.079607|6.896046|17.674949|9.048370|6.870369|4.656731|4.475330|10.317035|3.369883|5.150482|4.324106|2.564391|0.067541|2.276340|2.306989|2.244048|2.544802|3.404681|2.443432|3.996374|0.057835|0.055657|0.050685|0.053549|0.062680|0.062289|0.055220|0.057778|0.050681|0.075780|0.109367|0.094763|0.070299|0.143368|0.147171|0.147649|0.199209|0.129855|0.100360|0.098400|0.122240|0.194397|0.500000| |2.086348|2.256479|2.128437|2.074000|2.756207|3.037889|3.864188|4.633061|3.815738|3.009185|7.204487|12.364797|0.182430|6.702212|5.145748|3.991491|3.269905|3.167535|3.649592|4.759203|17.620563|8.914012|5.635709|4.439154|4.896105|13.004010|3.802114|5.540834|5.216453|3.019119|0.077425|2.605065|2.663861|2.664014|3.177791|4.259180|2.964194|4.763799|0.059259|0.058678|0.051898|0.052744|0.060779|0.060566|0.057942|0.058802|0.051687|0.075775|0.111431|0.108766|0.074874|0.206186|0.199216|0.143814|0.207366|0.104978|0.078829|0.075589|0.091921|0.144885|0.300607|0.500000| |1.978856|2.099015|2.108251|1.859453|2.450787|2.870050|3.468740|3.374588|2.755422|2.423271|3.963190|6.916919|0.159290|4.034367|4.258153|4.134259|3.803469|3.609422|3.680288|3.984268|6.388460|8.814423|17.783712|8.465113|5.854764|10.438614|4.056233|6.541798|4.612154|2.710900|0.073496|2.447843|2.409133|2.208448|2.381773|3.202929|2.415328|3.949963|0.058389|0.053664|0.049943|0.052640|0.059761|0.062906|0.050231|0.052098|0.047537|0.077693|0.112285|0.072171|0.059900|0.095559|0.116833|0.095795|0.101176|0.109087|0.096311|0.089377|0.091859|0.103125|0.189353|0.135695|0.500000| |1.916778|1.942191|1.920580|1.711288|2.216356|2.614128|3.063837|2.862305|2.370592|2.142270|3.226814|4.739372|0.104224|2.796277|2.742875|2.705547|2.519211|2.387230|2.407832|2.571850|4.043219|5.842448|8.437245|17.823566|8.862745|10.444986|6.502429|11.865756|6.150221|3.555060|0.098680|3.259320|3.063548|2.609928|2.697628|3.647105|2.890371|4.647732|0.057604|0.052615|0.048597|0.048687|0.052761|0.057754|0.046754|0.046821|0.044255|0.073172|0.101672|0.061709|0.053255|0.079209|0.102565|0.070873|0.072811|0.075487|0.067004|0.061586|0.062394|0.069238|0.105592|0.099061|0.192788|0.500000| |2.083817|2.081526|1.915071|1.883086|2.448236|2.764817|3.344407|3.488944|2.926279|2.513210|4.283492|5.117469|0.098214|2.965112|2.561372|2.353555|2.073990|1.972058|2.085817|2.373215|4.264765|5.185363|4.309480|4.951852|7.588761|14.490941|9.454538|10.871369|26.084633|8.957019|0.188667|5.854385|5.396973|5.036448|6.524352|9.800892|7.635228|9.966990|0.060829|0.060364|0.051927|0.048424|0.052057|0.055339|0.053700|0.050983|0.047829|0.072602|0.102287|0.079169|0.062844|0.114289|0.154183|0.077105|0.082677|0.066590|0.053914|0.049963|0.054413|0.067680|0.097886|0.126255|0.096440|0.115604|0.500000| |1.651981|1.587434|1.479089|1.464616|1.751040|1.911019|2.105136|2.094236|1.894453|1.749391|2.278088|2.851532|0.056994|1.816129|1.660453|1.584472|1.459602|1.405701|1.455993|1.580920|2.245361|2.551405|2.445754|2.855105|3.407266|5.498744|4.576459|8.297037|7.590826|8.961196|0.216704|17.516143|8.832251|6.682595|5.302736|7.680097|7.068016|10.325965|0.048263|0.048034|0.042522|0.038575|0.039668|0.042643|0.041892|0.039177|0.038312|0.052358|0.062634|0.051386|0.045293|0.061932|0.072329|0.048710|0.050514|0.044878|0.038968|0.036695|0.038821|0.044717|0.056583|0.064332|0.060071|0.077515|0.129556|0.500000| |1.669266|1.615970|1.525564|1.473839|1.792478|1.992582|2.221373|2.177560|1.929590|1.773925|2.394395|3.071585|0.062166|1.925624|1.781202|1.706893|1.578316|1.520154|1.569626|1.697191|2.469948|2.927697|2.895430|3.571057|4.276579|6.377713|6.290146|12.762070|9.192184|8.965220|0.225339|17.602520|8.904199|5.450478|4.580459|6.216776|5.522182|8.050250|0.049246|0.047892|0.042858|0.039614|0.041035|0.044434|0.041704|0.039569|0.038511|0.055021|0.067682|0.051848|0.045496|0.063781|0.076856|0.051046|0.053053|0.048194|0.042146|0.039694|0.041779|0.047727|0.062401|0.069432|0.070232|0.099388|0.142177|0.304137|0.500000| |1.438969|1.412066|1.334166|1.313854|1.559193|1.692121|1.877627|1.898599|1.721158|1.574676|2.117131|2.753234|0.054570|1.775149|1.647591|1.553727|1.446790|1.419041|1.487317|1.605387|2.252777|2.554871|2.475575|2.860156|3.314581|5.372669|4.140688|7.348702|6.404377|5.431100|0.124627|8.960857|17.550004|8.902312|5.475698|6.157055|4.515798|6.510335|0.041731|0.041359|0.037216|0.034806|0.036263|0.038375|0.037331|0.035614|0.034389|0.046101|0.055793|0.047289|0.040979|0.058203|0.066167|0.046772|0.050016|0.043223|0.038356|0.037195|0.040153|0.045926|0.057913|0.065253|0.061334|0.078031|0.115513|0.215424|0.219631|0.500000| |1.563035|1.550500|1.463675|1.432698|1.741233|1.910951|2.171192|2.215613|1.969147|1.768342|2.550292|3.335374|0.065538|2.101101|1.932648|1.800174|1.659675|1.627184|1.720186|1.879720|2.822133|3.298308|3.136483|3.688974|4.513248|7.252292|5.758540|9.312649|9.262486|6.598395|0.139427|8.854592|17.524294|8.872203|6.829975|7.164853|5.102228|6.935784|0.045406|0.044808|0.040062|0.037839|0.039958|0.042207|0.040612|0.038990|0.037197|0.051621|0.065232|0.054087|0.045576|0.069825|0.081409|0.054564|0.059347|0.049861|0.043599|0.042276|0.046223|0.054019|0.071436|0.082473|0.075464|0.097276|0.165485|0.173508|0.215348|0.304835|0.500000| |1.500227|1.468823|1.362750|1.383501|1.625867|1.733004|1.916525|1.982693|1.832241|1.669687|2.205834|2.768577|0.053883|1.804027|1.636385|1.528882|1.406905|1.374298|1.448867|1.584193|2.211434|2.402210|2.229027|2.462796|2.910807|5.077471|3.496614|5.806069|5.965011|5.399316|0.120721|6.719046|8.797126|17.525785|8.876727|9.577278|5.929788|8.388666|0.042984|0.043797|0.038715|0.035561|0.036981|0.038736|0.039857|0.037419|0.036078|0.046551|0.055632|0.051067|0.043821|0.062304|0.068546|0.048130|0.051511|0.042751|0.037173|0.035822|0.039014|0.045693|0.056078|0.065780|0.055302|0.065045|0.117755|0.198290|0.139234|0.211638|0.173323|0.500000| |1.426285|1.416724|1.325948|1.336339|1.576162|1.682137|1.878356|1.962978|1.805659|1.628806|2.232689|2.874891|0.055507|1.880543|1.717283|1.586155|1.464986|1.447655|1.543038|1.687801|2.367782|2.565937|2.376024|2.595930|3.040755|5.364379|3.502823|5.704683|5.770224|4.529463|0.101379|5.452627|8.907721|17.532245|8.967076|7.611122|4.555993|6.469871|0.040790|0.041281|0.036807|0.034513|0.036297|0.037699|0.038274|0.036468|0.034784|0.045004|0.054673|0.050679|0.042729|0.063449|0.068954|0.049420|0.054263|0.043814|0.038436|0.037728|0.041854|0.049190|0.060632|0.071342|0.059019|0.068099|0.117318|0.139502|0.124012|0.219940|0.214486|0.303336|0.500000| 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