Version2.0 2020-01-26T19:24:42Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-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)c1c2c(n(n1)c3ccc(cc3)F)N(C(=O)CS[C@@H]2c4cccs4)CC(=O)NCC[NH+](C)C C37425954 RHF 6-31G(d) (6D,7F) CC(C)(C)c1c2c(n(n1)c3ccc(cc3)F)N(C(=O)CS[C@@H]2c4cccs4)CC(=O)NCC[NH+](C)C C01[X(C26H33F1N5O2S2)] 201 C1 614 C[NH+](CCNC(=O)CN1C(=O)CS[C@@H](c2c1n(nc2C(C)(C)C)c1ccc(cc1)F)c1cccs1)C C[NH+](CCNC(=O)CN1C(=O)CS[C@@H](c2c1n(nc2C(C)(C)C)c1ccc(cc1)F)c1cccs1)C C[NH+](C)CCNC(=O)CN1C(=O)CS[C@H](c2sccc2)c3c(nn(c4ccc(F)cc4)c13)C(C)(C)C InChIKey=GRKIOSZJEJHWGT-HSZRJFAPSA-O InChI=1S/C26H32FN5O2S2/c1-26(2,3)24-22-23(19-7-6-14-35-19)36-16-21(34)31(15-20(33)28-12-13-30(4)5)25(22)32(29-24)18-10-8-17(27)9-11-18/h6-11,14,23H,12-13,15-16H2,1-5H3,(H,28,33)/p+1/t23-/m1/s1 InChI=1/C26H32FN5O2S2/c1-26(2,3)24-22-23(19-7-6-14-35-19)36-16-21(34)31(15-20(33)28-12-13-30(4)5)25(22)32(29-24)18-10-8-17(27)9-11-18/h6-11,14,23H,12-13,15-16H2,1-5H3,(H,28,33)/p+1/t23-/m1/s1/fC26H33FN5O2S2/h28,30H/q+1 CC(C)(C)c1c2c(n(n1)c3ccc(cc3)F)N(C(=O)CS[C@@H]2c4cccs4)CC(=O)NCC[NH+](C)C C01[X(C26H33F1N5O2S2)] 201 C01 614 C[NH+](CCNC(=O)CN1C(=O)CS[C@@H](c2c1n(nc2C(C)(C)C)c1ccc(cc1)F)c1cccs1)C C[NH](CCNC(=O)CN1C(=O)CS[C@@H]([C@H]2[C@@H]1N(N[C@H]2C(C)(C)C)c1ccc(cc1)F)c1cccs1)C C[NH](C)CCNC(=O)CN1[C@@H]2[C@H]([C@H](SCC1=O)c3sccc3)[C@@H](NN2c4ccc(F)cc4)C(C)(C)C InChIKey=PIPDPAVBFCOXTH-VPBXCIAMSA-N InChI=1S/C26H37FN5O2S2/c1-26(2,3)24-22-23(19-7-6-14-35-19)36-16-21(34)31(15-20(33)28-12-13-30(4)5)25(22)32(29-24)18-10-8-17(27)9-11-18/h6-11,14,22-25,29-30H,12-13,15-16H2,1-5H3,(H,28,33)/t22-,23-,24-,25+/m1/s1 InChI=1/C26H37FN5O2S2/c1-26(2,3)24-22-23(19-7-6-14-35-19)36-16-21(34)31(15-20(33)28-12-13-30(4)5)25(22)32(29-24)18-10-8-17(27)9-11-18/h6-11,14,22-25,29-30H,12-13,15-16H2,1-5H3,(H,28,33)/t22-,23-,24-,25+/m1/s1/f/h28H 4640.6092902313 -2319.9864295 1-A 18464.6876 140 474 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06651 -92.04051 -26.38158 -20.65063 -20.64971 -15.85561 -15.73561 -15.72292 -15.70632 -15.66440 -11.47219 -11.46773 -11.43836 -11.43559 -11.42660 -11.41644 -11.40435 -11.40387 -11.38791 -11.38517 -11.36814 -11.36515 -11.36335 -11.35436 -11.34368 -11.33348 -11.33073 -11.32887 -11.32846 -11.32605 -11.31941 -11.31778 -11.31037 -11.27432 -11.27204 -11.26227 -9.07662 -9.04990 -6.75931 -6.75835 -6.75665 -6.73259 -6.73119 -6.72897 -1.70134 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.02475 0.03341 0.03762 0.04862 0.05807 0.06492 0.07444 0.09151 0.09347 0.10246 0.10509 0.11406 0.12162 0.12898 0.13170 0.13813 0.14047 0.15003 0.15625 0.16198 0.16330 0.16593 0.17217 0.17884 0.18292 0.18840 0.19299 0.19796 0.20199 0.20309 0.21012 0.21576 0.22239 0.22820 0.23261 0.23539 0.24094 0.24474 0.25158 0.25385 0.25748 0.26217 0.26822 0.27267 0.27404 0.27769 0.28523 0.29250 0.29740 0.29788 0.30240 0.30434 0.30969 0.31301 0.31663 0.32627 0.33419 0.33797 0.34213 0.34965 0.35253 0.36214 0.37093 0.37512 0.38303 0.39969 0.40447 0.41346 0.41831 0.43799 0.45030 0.45690 0.45893 0.46612 0.47087 0.48494 0.49604 0.50166 0.50617 0.51106 0.52850 0.53284 0.54066 0.54284 0.54890 0.55626 0.57024 0.58305 0.58952 0.59240 0.59683 0.60787 0.61120 0.61827 0.62239 0.63058 0.63142 0.64088 0.64926 0.65124 0.65999 0.66475 0.67121 0.67738 0.68507 0.68900 0.69149 0.70072 0.70404 0.70886 0.71362 0.71850 0.72607 0.72808 0.73217 0.73606 0.73838 0.74285 0.74711 0.75401 0.76640 0.76792 0.77538 0.78008 0.78267 0.79192 0.79781 0.80280 0.80524 0.80956 0.81957 0.82866 0.83589 0.83831 0.84715 0.84967 0.85206 0.85687 0.86039 0.86670 0.87657 0.87870 0.88304 0.89435 0.89992 0.90168 0.90693 0.91508 0.92528 0.93634 0.94283 0.94378 0.95025 0.95480 0.95867 0.96371 0.97176 0.97614 0.98620 0.99489 0.99749 1.00044 1.00178 1.00752 1.01378 1.01676 1.01780 1.02298 1.03481 1.03679 1.04045 1.04241 1.04813 1.04993 1.05267 1.05543 1.05770 1.05913 1.06287 1.06856 1.07075 1.07666 1.07771 1.07917 1.08536 1.08659 1.09725 1.10141 1.10424 1.10679 1.11023 1.11177 1.11938 1.12541 1.12820 1.13482 1.13843 1.14240 1.14498 1.15260 1.15942 1.16446 1.16866 1.17075 1.17626 1.18014 1.18525 1.18858 1.19635 1.20147 1.21100 1.21725 1.22149 1.22908 1.23813 1.24643 1.25554 1.26309 1.28102 1.28382 1.28893 1.29687 1.30259 1.30628 1.31962 1.32090 1.33497 1.34301 1.35324 1.36330 1.36984 1.39042 1.39568 1.40215 1.41281 1.42065 1.43111 1.44060 1.44509 1.45311 1.46673 1.46741 1.47137 1.49688 1.50662 1.51712 1.52677 1.53291 1.54197 1.55967 1.56467 1.57775 1.57961 1.59483 1.60077 1.60786 1.61360 1.61769 1.62098 1.63948 1.64298 1.64590 1.65301 1.65599 1.66123 1.67354 1.68023 1.69150 1.69570 1.70471 1.70781 1.72599 1.75903 1.77471 1.79005 1.79490 1.80561 1.82304 1.85238 1.85865 1.86818 1.87690 1.89160 1.90217 1.91612 1.93053 1.93386 1.94238 1.95280 1.96077 1.96410 1.97430 1.98503 1.99546 2.00627 2.00723 2.01193 2.01503 2.02578 2.03446 2.03876 2.04365 2.04959 2.05362 2.05812 2.06262 2.06747 2.07577 2.08406 2.08773 2.09463 2.10388 2.11234 2.12327 2.12659 2.13368 2.14394 2.14567 2.15552 2.16543 2.16885 2.18085 2.19135 2.19294 2.19517 2.20708 2.21473 2.22266 2.22864 2.22957 2.24164 2.24456 2.25628 2.26658 2.27686 2.27781 2.28642 2.29111 2.31170 2.33095 2.34251 2.34713 2.35422 2.35666 2.36977 2.37393 2.38636 2.38981 2.40378 2.41030 2.41720 2.41903 2.42678 2.43790 2.44556 2.44685 2.45140 2.45808 2.47496 2.48910 2.49299 2.50298 2.50844 2.52136 2.53282 2.54514 2.54585 2.55182 2.55622 2.56319 2.56568 2.56768 2.57720 2.58548 2.59495 2.59758 2.60756 2.61780 2.62067 2.63237 2.63823 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19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 9 7 6 8 6 16 6 1 6 6 6 6 16 6 6 8 7 6 6 7 1 6 6 1 1 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14546.4644 22462.4325 29675.5003 0.99873 -0.04947 0.00965 0.04946 0.99877 0.00184 -0.00973 -0.00136 0.99995 1 0.00595 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2155.49 2156.17 2176.67 2189.14 2212.37 2221.98 2235.53 2241.45 2254.14 2264.34 2264.88 2283.52 2287.96 2297.10 2324.17 2327.74 2330.98 2338.35 2343.32 2344.38 2347.35 2347.35 2351.18 2361.14 2374.58 2375.81 2376.24 2379.47 2380.43 2382.56 2393.23 2405.41 2457.41 2477.03 2522.86 2554.46 2584.16 2620.80 2775.40 2799.59 4623.94 4625.00 4640.18 4677.80 4679.94 4692.20 4703.25 4707.03 4709.42 4724.99 4729.02 4735.51 4743.16 4755.31 4755.57 4769.39 4805.34 4814.31 4837.26 4843.84 4849.76 4853.76 4860.84 4880.38 4891.58 4893.71 4900.73 4907.77 4913.88 4920.98 4956.77 5318.83 5517.23 0.614831 0.648056 0.649000 0.547698 -2319.371599 -2319.338373 -2319.337429 -2319.438732 3.397719D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE CC(C)(C)c1c2c(n(n1)c3ccc(cc3)F)N(C(=O)CS[C@@H]2c4cccs4)CC(=O)NCC[NH+](C)C C37425954 RHF 6-31G(d) (6D,10F) C1 530.205972 |X|Y|Z| 78.741988 100.430344 46.668136 71.729410 21 6 7 16 16 3 2 |36.858105| |12.387563|36.858105| |7.534466|12.382495|36.858105| |7.669672|12.380083|7.652226|36.858105| |7.508841|12.454428|7.614574|7.593986|36.858105| |5.639554|6.991385|5.834969|4.849025|13.224093|36.858105| |4.233277|5.120308|4.362180|4.145409|8.635984|13.941638|36.858105| |4.202295|5.328365|4.285469|4.764786|8.905419|8.654852|14.196766|53.358707| |5.459072|7.850189|5.474008|7.134125|14.625061|8.516317|8.693312|19.447938|53.358707| |3.297183|3.966259|3.342102|3.889258|5.470746|5.292754|7.595653|18.216398|10.868803|36.858105| |2.754646|3.285249|2.955901|3.224798|4.262830|4.339900|5.987068|10.628284|7.454595|13.753160|36.858105| |2.343807|2.709881|2.464708|2.736483|3.310555|3.317755|4.227147|6.997595|5.566146|7.940547|13.758492|36.858105| |2.288626|2.589170|2.304754|2.678575|3.090286|3.011769|3.706848|6.227968|5.233135|6.952431|8.014743|13.823707|36.858105| |2.565403|2.877474|2.468619|3.018256|3.454061|3.265796|3.982961|7.023919|6.054334|7.944311|6.858998|7.892587|13.804517|36.858105| |3.130949|3.590685|2.958480|3.705617|4.575002|4.224567|5.350904|10.704551|8.738266|13.733082|7.920733|6.854573|8.012033|13.781688|36.858105| |1.985922|2.206525|1.996634|2.296078|2.548290|2.491828|2.957302|4.725821|4.149461|4.688178|5.318376|8.186392|14.395024|8.180209|5.318280|97.533100| |3.296211|3.754229|3.423232|3.178660|5.312312|7.670257|13.548074|10.694264|7.330640|6.253842|5.852089|4.287764|3.639182|3.705984|4.591736|6.652840|53.358707| |2.939014|3.350130|3.271374|2.841509|4.407966|6.116797|7.901947|7.486681|5.819302|4.671932|4.846310|3.748536|3.122716|3.059668|3.580967|5.914781|18.894007|36.858105| |2.505463|2.772471|2.728861|2.411068|3.462195|4.480646|5.426172|5.736744|4.630704|3.865831|4.151740|3.438884|2.889638|2.775712|3.117756|5.624867|11.570180|15.855719|73.516695| |3.138024|3.718099|3.896452|3.082396|4.750853|6.428414|6.852202|6.940335|5.929135|4.153898|4.272487|3.333837|2.799141|2.754357|3.219576|5.362035|10.509476|12.557418|14.223947|36.858105| |3.600252|4.076109|4.503625|3.165167|4.865621|6.809044|5.645388|5.759051|5.441613|3.352493|3.226402|2.630994|2.326352|2.364284|2.769439|4.537918|7.591475|6.841155|9.555798|10.453398|388.023441| |4.836990|5.230837|5.054584|3.756380|6.867492|12.576151|7.762441|7.184705|6.924077|3.860711|3.427893|2.757635|2.508805|2.653491|3.234845|4.819140|8.915570|6.205965|8.452536|6.775081|73.294119|36.858105| |4.073896|4.231768|3.963528|3.246493|5.518071|9.214301|7.610668|6.846615|6.160332|3.839106|3.435480|2.791703|2.546615|2.686551|3.247754|4.902462|10.313156|6.910653|9.701170|6.319273|57.537767|17.623738|0.500000| |5.394943|5.058731|5.015551|3.597571|5.526141|7.258063|5.021392|5.401747|5.598064|3.082646|2.742456|2.296837|2.145827|2.289685|2.730492|4.207177|5.964494|4.209936|6.319736|4.562626|49.359100|12.630492|0.255777|36.858105| |4.958324|4.599806|5.095326|3.370435|4.497449|5.205969|3.876332|4.435079|4.706055|2.625278|2.389053|2.038048|1.908008|2.016413|2.354165|3.791988|4.714532|3.476373|5.386080|3.944654|43.110607|7.345385|0.161055|14.161479|36.858105| |4.516588|3.850541|4.073686|2.985749|3.624658|3.959413|3.136763|3.726707|3.969357|2.277571|2.072093|1.805910|1.718675|1.825988|2.102305|3.456549|3.885615|2.819811|4.512514|3.059867|29.907864|5.005638|0.122833|8.180787|13.232367|36.858105| |4.516145|3.669617|3.589379|2.893458|3.556113|3.905839|3.156198|3.753839|3.961375|2.306867|2.071932|1.814548|1.746334|1.875133|2.163443|3.512801|3.927815|2.766031|4.459394|2.868344|26.619002|4.812673|0.125931|7.639100|8.223679|14.203219|36.858105| |4.997273|4.167273|3.796751|3.188137|4.437588|5.281726|4.158885|4.718208|4.857240|2.811553|2.467824|2.121537|2.035990|2.208972|2.608988|4.032133|5.107672|3.437982|5.416464|3.417827|31.324429|6.796739|0.189459|10.910521|7.469225|7.472334|11.011235|388.023441| |2.868576|3.112757|2.792955|2.743466|4.127415|5.268889|7.639025|8.183460|5.921651|5.710760|5.377532|4.322517|3.825113|3.910890|4.654383|7.070812|17.724167|7.802737|12.508459|4.985480|28.791908|4.766934|0.159841|3.614206|2.917087|2.523410|2.627871|24.230044|36.858105| |2.774822|2.861265|2.586237|2.486074|3.615509|4.631110|5.623325|6.046734|4.885757|4.071924|3.773680|3.234645|3.003935|3.129778|3.618533|5.811763|10.447336|5.971486|10.534993|4.204463|27.450623|4.706608|0.171532|3.790867|3.019588|2.674036|2.868250|27.210086|12.486871|36.858105| |2.889158|2.873555|2.537809|2.504343|3.556786|4.379261|4.986662|5.646632|4.775168|3.786727|3.366888|2.943514|2.841248|3.062899|3.556364|5.544565|7.862021|4.534569|7.746112|3.521890|24.369687|4.400526|0.156199|3.785065|3.000199|2.735103|3.033939|29.528882|7.960154|15.811488|73.516695| |2.464915|2.535034|2.376869|2.204807|3.090081|3.924088|4.481606|4.879980|4.089302|3.314537|3.225055|2.827850|2.593125|2.626602|2.941601|5.145362|8.298184|5.825552|11.807416|4.149983|27.560155|4.309255|0.156019|3.569380|2.931809|2.606754|2.758054|25.143982|7.781148|14.099060|15.180122|53.358707| |2.282112|2.278932|2.152244|1.990173|2.672199|3.280216|3.511330|3.971577|3.483736|2.703785|2.608533|2.345509|2.201681|2.249069|2.482024|4.460341|5.835562|4.190648|8.245615|3.331916|23.791106|3.710419|0.130289|3.332019|2.803996|2.585140|2.790270|24.868541|5.028011|7.899677|12.528313|18.064340|36.858105| |2.502983|2.435522|2.314709|2.080518|2.804573|3.477006|3.482915|3.887878|3.525516|2.555342|2.413495|2.144753|2.023742|2.097422|2.349778|4.089271|5.428211|3.917465|7.233099|3.327050|25.980581|4.205655|0.150164|4.021062|3.346036|3.133124|3.468760|31.550316|4.246435|6.117240|10.897309|10.530689|12.371130|36.858105| |2.323544|2.201901|2.080087|1.910980|2.459010|2.908876|2.871973|3.345356|3.110703|2.233359|2.094930|1.897532|1.826336|1.909513|2.113547|3.737833|4.265815|3.018602|5.492401|2.661385|20.815731|3.383826|0.112943|3.440821|2.971229|2.939889|3.368038|29.146250|3.368959|4.560055|8.947251|6.974331|7.537128|12.634389|53.358707| |2.078767|1.990437|1.889507|1.753103|2.215323|2.584646|2.598664|3.073883|2.844874|2.091653|1.987783|1.823973|1.758651|1.823565|1.989713|3.632664|3.906565|2.795324|5.202220|2.453979|18.700536|2.939274|0.096328|2.937176|2.588589|2.556808|2.865537|23.967626|3.140075|4.177454|7.989494|6.587334|7.447756|9.274201|25.716039|0.500000| |2.463385|2.289613|2.104348|2.001921|2.555378|2.959318|2.929918|3.482100|3.261790|2.333021|2.140882|1.946076|1.906904|2.031813|2.259192|3.895129|4.220999|2.849745|5.044477|2.508096|19.315627|3.293207|0.108457|3.371196|2.866793|2.875258|3.403437|30.443490|3.415216|4.618662|10.166749|6.277402|5.952403|7.644219|17.276796|0.259027|36.858105| |2.281790|2.130063|2.049131|1.841867|2.310922|2.689808|2.567857|3.019220|2.876663|2.000443|1.879995|1.704494|1.640112|1.713222|1.893435|3.372206|3.702265|2.678372|4.812124|2.470375|20.102277|3.195587|0.102126|3.448868|3.111350|3.212577|3.715565|29.644692|2.794364|3.513946|6.701236|5.257440|4.998129|7.671957|17.368511|0.260476|7.729453|36.858105| |17.647768|8.689755|6.880076|5.521985|6.655026|5.873513|4.232047|5.354518|6.462908|3.081483|2.623510|2.231889|2.158291|2.385670|2.880996|4.234579|4.604659|3.063542|4.656044|3.282300|28.457273|5.640351|0.129209|7.207612|6.608505|6.020514|6.029710|47.019227|2.930285|2.916906|5.411783|3.571823|2.457786|2.771559|3.493205|0.062930|2.698218|2.557061|0.500000| |17.552743|8.758372|5.477660|6.894134|6.908554|5.298938|4.225770|5.872829|7.562480|3.442968|2.806210|2.407103|2.396537|2.749580|3.390872|4.668315|4.489385|2.856317|4.364467|2.933856|23.087362|4.424507|0.109220|4.762965|4.184262|3.942173|4.194783|34.769198|2.965092|2.884871|5.477405|3.415976|2.327729|2.531953|3.238393|0.059140|2.588404|2.303466|0.301496|0.500000| |17.553433|8.824526|6.829737|7.180141|5.491137|4.329656|3.442718|4.726567|5.973806|2.851735|2.439587|2.118551|2.081789|2.315750|2.751260|4.123919|3.796175|2.545546|3.930720|2.736673|22.190823|3.893692|0.093121|4.399756|4.367659|4.205413|4.113657|29.605021|2.467845|2.397545|4.427256|2.948831|2.031857|2.222430|2.850991|0.052516|2.211174|2.085154|0.303108|0.301700|0.500000| |6.950238|8.797082|17.552677|6.997263|5.522042|4.438447|3.512533|4.767987|5.935733|2.863488|2.564054|2.195330|2.081060|2.227766|2.612411|4.118569|3.905676|2.763433|4.211628|3.219437|26.362197|4.052114|0.092143|4.258662|4.573747|3.922766|3.426442|24.360697|2.419894|2.276719|4.013328|2.875485|1.945833|2.098799|2.613800|0.048676|1.947462|1.915004|0.173898|0.140946|0.206642|0.500000| |5.479465|8.759277|17.552989|7.014283|6.920186|5.442819|4.365851|6.005779|7.527115|3.501814|3.175991|2.629700|2.418532|2.548015|3.030543|4.701112|4.714600|3.376015|4.983750|4.151354|31.802098|4.600756|0.102550|4.248483|4.252485|3.423499|3.048220|23.172424|2.789843|2.519163|4.317002|3.167839|2.082794|2.198082|2.668835|0.049937|1.968854|1.916546|0.139605|0.122555|0.140778|0.301603|0.500000| |6.751995|8.699527|17.616365|5.512048|6.884493|6.269794|4.462268|5.554388|6.592551|3.166696|2.843593|2.368049|2.195464|2.328419|2.773208|4.295410|4.889772|3.526667|5.213424|4.322209|39.603802|6.142220|0.126718|6.393243|6.900022|4.986924|4.157800|30.899655|2.889465|2.727450|4.725823|3.463692|2.314201|2.535346|3.066887|0.056423|2.245688|2.241430|0.201118|0.139160|0.164930|0.302294|0.301936|0.500000| |6.981640|8.719114|5.516020|17.593239|6.836441|4.541301|4.068102|6.606647|9.852652|4.092363|3.282142|2.823050|2.844260|3.317159|4.128671|5.467049|4.267447|2.732792|4.160088|2.856215|20.502117|3.498109|0.086797|3.343720|3.061213|2.775505|2.775288|22.163738|2.789998|2.530491|4.606109|3.008124|1.997726|2.073045|2.614820|0.049037|2.044909|1.835023|0.140765|0.206358|0.178064|0.142267|0.141922|0.122370|0.500000| |5.521944|8.713397|6.939007|17.599357|6.903128|4.612716|4.152038|6.747369|9.934305|4.165246|3.526702|2.976583|2.872957|3.182542|3.871947|5.509655|4.372818|2.907595|4.374991|3.197659|22.364572|3.551741|0.085813|3.273239|3.078977|2.692408|2.582521|20.242479|2.744075|2.428610|4.270220|2.948065|1.935328|1.994351|2.473560|0.046646|1.885123|1.743230|0.122419|0.140709|0.144275|0.171618|0.209705|0.141162|0.302459|0.500000| |7.071430|8.856042|7.071880|17.554333|5.529209|3.962821|3.400623|5.110193|6.915554|3.187131|2.735578|2.381733|2.343811|2.605764|3.083841|4.618358|3.706985|2.492639|3.830015|2.718104|20.296158|3.291457|0.079589|3.290773|3.212082|2.929016|2.808426|21.055281|2.388647|2.208249|3.971590|2.708599|1.824279|1.920380|2.430009|0.045617|1.865407|1.743158|0.144319|0.170407|0.219942|0.213978|0.175070|0.142970|0.301358|0.301274|0.500000| |2.720146|3.282098|3.068545|3.135256|4.258289|4.524703|6.217857|9.718798|6.991905|8.909872|17.743051|8.938994|5.684362|4.947221|5.638665|9.625872|8.768943|5.821567|8.653303|5.230480|25.860167|3.658176|0.100934|2.860000|2.504837|2.138886|2.109153|17.762569|5.373530|3.777384|5.819127|4.546967|2.673602|2.479629|2.885082|0.055836|2.124873|1.912990|0.072991|0.075272|0.066998|0.073248|0.093230|0.083278|0.085938|0.095807|0.074494|0.500000| |2.108584|2.420260|2.258049|2.434948|2.887601|2.931539|3.626254|5.654207|4.662191|5.634020|8.860834|17.749686|8.960635|5.640726|4.945318|16.734275|5.176741|3.519235|5.933179|3.166444|17.647832|2.518224|0.070880|2.115734|1.901360|1.689535|1.687682|13.848714|3.825051|2.947099|4.725072|3.624184|2.226228|2.024367|2.439883|0.048221|1.817172|1.617394|0.056247|0.059559|0.053479|0.056338|0.067290|0.060731|0.068837|0.073635|0.059846|0.213629|0.500000| |2.410570|2.637414|2.262290|2.805752|3.057802|2.868669|3.361686|5.677252|5.180564|5.635158|4.947636|5.641976|8.956453|17.749949|8.870236|16.728716|4.272676|2.640519|4.321020|2.401662|15.059521|2.382212|0.067065|2.105862|1.870533|1.718612|1.775793|14.722639|3.350214|2.812449|5.011205|3.245748|2.087236|1.956433|2.465262|0.048226|1.945520|1.631110|0.062126|0.072530|0.061198|0.057575|0.064204|0.059205|0.086922|0.080987|0.068462|0.107478|0.124592|0.500000| |3.490583|3.896251|3.077133|4.070942|4.877296|4.317104|5.132107|9.874467|9.246501|8.936446|5.647942|4.945193|5.674407|8.913762|17.751232|9.609658|5.753976|3.301390|5.108095|3.015477|19.293589|3.284438|0.091104|2.843529|2.439950|2.203067|2.295370|19.806444|4.276709|3.528082|6.429471|3.876938|2.452969|2.367715|2.939600|0.056067|2.350278|1.942705|0.087654|0.108975|0.084530|0.075963|0.085368|0.079474|0.132542|0.113568|0.093336|0.124248|0.107441|0.212747|0.500000| |3.335546|4.177130|4.404825|3.506364|5.457273|6.818952|7.371507|8.106206|7.000297|4.738951|4.897262|3.680888|3.043343|2.992826|3.547048|5.743979|9.623397|8.797579|10.688095|17.645045|56.060054|6.096147|0.149228|4.253408|3.738291|2.924549|2.734173|22.897228|4.630980|3.765389|5.781368|4.849006|2.908646|2.898731|3.257749|0.061496|2.309468|2.232195|0.094058|0.086018|0.080764|0.098753|0.137233|0.130477|0.088845|0.104175|0.084356|0.172187|0.095986|0.071631|0.091259|0.500000| |2.701463|3.137575|3.362474|2.685190|3.782259|4.723203|4.986887|5.508513|4.829830|3.520008|3.765334|3.072069|2.574184|2.483433|2.811493|5.035983|7.804541|9.058602|13.636264|17.641623|57.496931|5.091502|0.135923|3.814640|3.469303|2.766754|2.574670|21.041636|4.200474|3.653418|5.467921|5.139257|3.108751|3.068117|3.374455|0.064447|2.301147|2.324412|0.078344|0.070280|0.067003|0.079669|0.100487|0.102931|0.069252|0.077888|0.067136|0.128565|0.083606|0.060724|0.072849|0.300555|0.500000| |4.462295|4.464471|5.462873|3.331403|4.295697|4.854456|3.698424|4.289300|4.557133|2.560249|2.372527|2.023605|1.876177|1.959939|2.271314|3.737395|4.530747|3.458967|5.356269|4.150543|47.102322|6.494561|0.140518|8.921081|17.760470|8.605543|5.736949|37.713591|2.758911|2.781635|4.808884|3.720070|2.583124|2.992864|3.594060|0.065145|2.519930|2.747835|0.152933|0.103298|0.112703|0.136508|0.130200|0.218845|0.082188|0.086576|0.088954|0.070083|0.052850|0.050322|0.064558|0.110281|0.103425|0.500000| |3.919983|3.399648|3.707156|2.736641|3.125363|3.312799|2.705153|3.285512|3.508541|2.046285|1.882625|1.658683|1.581936|1.671671|1.901317|3.207613|3.385491|2.486695|4.033494|2.718412|25.775053|4.000054|0.099505|5.713373|8.584050|17.754485|8.928656|37.745091|2.219108|2.331141|4.218416|3.123119|2.289380|2.725545|3.537773|0.063923|2.529763|2.874093|0.136691|0.095223|0.106604|0.103269|0.087927|0.123183|0.070397|0.069129|0.076247|0.054022|0.043393|0.043923|0.055138|0.072757|0.069756|0.202508|0.500000| |3.939684|3.182571|3.078457|2.613974|3.058222|3.271386|2.743786|3.338315|3.515712|2.097208|1.890013|1.677882|1.630285|1.753346|1.999791|3.307099|3.456181|2.426271|3.975000|2.480103|22.046732|3.833251|0.103284|5.383653|5.678513|8.776399|17.787103|55.214376|2.371592|2.605267|4.968993|3.419878|2.591262|3.197236|4.428276|0.077577|3.353894|3.679016|0.137725|0.105154|0.103316|0.083475|0.073740|0.095656|0.070696|0.064899|0.071386|0.053044|0.043464|0.046569|0.059171|0.066036|0.062679|0.122621|0.203756|0.500000| |2.497348|2.723238|2.504143|2.456857|3.481365|4.241207|5.793397|6.764661|5.055684|5.144153|5.424767|4.591472|3.931715|3.795240|4.240095|7.402529|12.461076|7.304309|13.606871|4.675609|25.889939|3.939780|0.127136|3.084670|2.579456|2.251651|2.317767|20.561269|17.643043|8.833003|10.705893|9.772055|4.714579|3.808233|4.170923|0.081533|3.039959|2.562312|0.070493|0.071089|0.060837|0.060971|0.070568|0.071684|0.069076|0.069279|0.060110|0.154579|0.117129|0.090219|0.104861|0.120399|0.115611|0.068962|0.055843|0.058668|0.500000| |2.964906|3.207973|2.783460|2.894260|4.277150|5.096990|7.417727|9.185017|6.484591|6.911582|5.906673|4.787674|4.442968|4.780626|5.915451|7.968111|12.484589|5.765759|9.090848|4.203534|25.153356|4.302700|0.137429|3.388118|2.753516|2.419565|2.545013|23.401639|17.698744|9.038450|13.573729|7.862379|4.230029|3.699060|4.217382|0.080342|3.277703|2.595238|0.082327|0.087281|0.070677|0.067311|0.076943|0.078212|0.083813|0.080149|0.069328|0.149071|0.112224|0.112119|0.150261|0.114701|0.099165|0.071979|0.059300|0.064421|0.300934|0.500000| |2.360051|2.476107|2.366957|2.161777|3.016198|3.830572|4.431192|4.820719|4.008709|3.303535|3.335556|2.916305|2.608660|2.581699|2.864889|5.184820|8.616723|6.865837|16.294572|4.647070|29.172471|4.212769|0.147236|3.412753|2.860424|2.506441|2.586842|22.907784|7.417544|9.366103|10.882048|25.972292|8.950725|6.142736|5.796846|0.113863|3.769835|3.422259|0.069456|0.065854|0.057956|0.058289|0.065308|0.070555|0.059595|0.059719|0.054241|0.098888|0.077550|0.064544|0.075660|0.107515|0.120794|0.075735|0.061840|0.065170|0.213570|0.147932|0.500000| |2.055692|2.067038|1.985236|1.822305|2.388394|2.883309|3.073869|3.538174|3.126243|2.443063|2.410784|2.197200|2.051057|2.063420|2.240934|4.205970|5.091851|3.850845|7.921394|3.130610|22.142707|3.259201|0.110069|2.954925|2.565792|2.375237|2.517097|21.499949|4.247148|5.814294|9.071805|12.641322|17.611209|8.811076|8.537722|0.189660|4.778630|4.590804|0.061255|0.057731|0.051434|0.050188|0.053806|0.059299|0.050533|0.049580|0.046724|0.069348|0.058844|0.053325|0.060993|0.075612|0.083758|0.066817|0.059342|0.065346|0.116987|0.099910|0.228439|0.500000| |2.187012|2.162949|2.015660|1.916244|2.516677|3.002553|3.234080|3.777332|3.331025|2.623551|2.510245|2.296280|2.196921|2.262624|2.470846|4.485067|5.212428|3.595046|6.902151|2.904765|20.545743|3.267578|0.111396|2.992425|2.538514|2.385800|2.611083|23.106706|4.688366|7.286642|13.282133|12.599614|17.595205|8.778620|10.084561|0.219256|6.692989|4.727398|0.064791|0.062871|0.054332|0.050985|0.054086|0.059440|0.054048|0.051614|0.048883|0.070064|0.060324|0.058987|0.068324|0.072399|0.075202|0.064786|0.059063|0.068564|0.122633|0.115714|0.183398|0.303030|0.500000| |2.913633|2.810900|2.632248|2.348177|3.291109|4.215367|4.112176|4.454257|4.049602|2.837506|2.617995|2.283146|2.154128|2.262494|2.590223|4.296467|6.246396|4.330024|7.550558|3.688559|29.746837|5.283703|0.202131|5.039251|3.940954|3.619075|4.091996|40.925134|4.727831|6.863166|12.765088|10.174465|8.757793|17.698516|12.465369|0.183439|7.497059|6.658645|0.090984|0.082036|0.070516|0.065545|0.068570|0.080693|0.064969|0.061929|0.059709|0.074485|0.059105|0.058316|0.073261|0.089481|0.091333|0.095118|0.084873|0.101828|0.111742|0.114964|0.163962|0.175660|0.193933|0.500000| |2.396299|2.348733|2.289083|2.001655|2.665930|3.297074|3.243517|3.625311|3.320295|2.378295|2.280052|2.027562|1.896269|1.945079|2.167212|3.849437|5.037225|3.845408|7.221973|3.383821|27.270380|4.118626|0.142170|4.000102|3.447609|3.213664|3.451176|29.720235|3.752378|4.934925|8.343503|8.664634|8.753873|17.635907|12.344753|0.210088|5.647629|7.606293|0.074125|0.066139|0.059645|0.057856|0.060617|0.070490|0.054754|0.053556|0.051679|0.066023|0.053685|0.050331|0.060274|0.080571|0.088680|0.086925|0.078433|0.087761|0.096011|0.090278|0.158599|0.225412|0.175719|0.301692|0.500000| |2.235031|2.066716|1.908643|1.834489|2.262890|2.554293|2.526096|3.072069|2.910929|2.087747|1.927329|1.775691|1.754413|1.866959|2.047757|3.623641|3.600490|2.456198|4.370011|2.196785|16.827409|2.796907|0.089169|2.899832|2.543382|2.603880|3.069124|25.864776|2.897673|3.725461|7.935573|5.090906|4.707143|5.592458|12.302204|0.228893|17.647095|6.994309|0.067440|0.065334|0.056586|0.049629|0.049695|0.056190|0.052193|0.048012|0.047922|0.052959|0.046292|0.050171|0.059282|0.056742|0.056631|0.062718|0.064871|0.086471|0.073187|0.078372|0.087986|0.112544|0.149116|0.147767|0.126554|0.500000| |2.454409|2.317970|2.105092|2.043586|2.639973|3.065429|3.139227|3.744073|3.436984|2.542416|2.326028|2.119778|2.085839|2.228995|2.476040|4.246628|4.605784|3.030610|5.387645|2.591642|19.292760|3.304465|0.110209|3.237456|2.716396|2.657949|3.079480|28.093983|3.917719|5.574136|13.354858|7.233141|6.731416|7.215893|12.220540|0.216436|17.696412|5.613108|0.073447|0.072362|0.060795|0.053748|0.055150|0.061799|0.058453|0.053753|0.052409|0.063552|0.054705|0.059203|0.071333|0.066514|0.065699|0.067085|0.065037|0.083027|0.096165|0.105463|0.115902|0.142293|0.236877|0.199130|0.143903|0.297399|0.500000| |2.808748|2.548098|2.317754|2.193793|2.826638|3.275024|3.141438|3.712634|3.537679|2.433167|2.196058|1.973785|1.935599|2.084754|2.354250|3.923548|4.376302|2.917094|5.022129|2.614314|20.681628|3.683777|0.120595|3.920928|3.270769|3.330341|4.117992|38.737939|3.427824|4.497866|10.009293|5.843682|5.074854|6.826465|12.350556|0.181711|17.661001|7.241050|0.086933|0.082439|0.069406|0.059523|0.059381|0.069030|0.062255|0.056671|0.056769|0.060473|0.050835|0.055381|0.068946|0.067281|0.065751|0.077892|0.079792|0.112875|0.082915|0.092396|0.099193|0.114209|0.147400|0.217657|0.147206|0.298503|0.301434|0.500000| |2.119138|2.008599|1.965023|1.743004|2.174214|2.532953|2.429859|2.856295|2.712903|1.902191|1.812658|1.647912|1.574204|1.627232|1.786882|3.249247|3.547764|2.639250|4.826194|2.455285|19.989720|3.030419|0.095843|3.225334|2.981374|3.040175|3.370079|25.992726|2.650136|3.266283|5.979658|5.067614|4.810516|6.989646|12.295152|0.226617|5.615498|17.649138|0.065672|0.058747|0.054130|0.051084|0.051484|0.059943|0.047899|0.046190|0.045943|0.051696|0.043784|0.042922|0.050453|0.061088|0.065258|0.074730|0.076841|0.091620|0.068706|0.067553|0.094588|0.131340|0.121768|0.159743|0.226912|0.144719|0.125775|0.145019|0.500000| |2.132278|1.973088|1.890148|1.729076|2.112493|2.401695|2.300463|2.760491|2.652548|1.848913|1.735611|1.589417|1.543748|1.617409|1.773719|3.196281|3.275071|2.347974|4.208229|2.179265|17.469015|2.771215|0.086548|3.005383|2.760555|2.914916|3.395834|26.125999|2.492992|3.071805|5.954751|4.477304|4.142488|5.586106|12.301536|0.221767|7.240777|17.646589|0.065785|0.060254|0.054712|0.049553|0.049094|0.056831|0.048127|0.045370|0.045748|0.048703|0.041931|0.043136|0.050798|0.055498|0.057174|0.068155|0.073766|0.096900|0.063956|0.065503|0.081525|0.107328|0.114775|0.140286|0.149320|0.216476|0.144933|0.185105|0.299126|0.500000| 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