Version2.1 2021-01-13T16:18:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1nnc(n1c2ccc(cc2)Cl)SCC(=O)Nc3ccc4ccccc4c3)[NH+](C)C C09103233 RHF 6-31G(d) (6D,7F) C[C@@H](c1nnc(n1c2ccc(cc2)Cl)SCC(=O)Nc3ccc4ccccc4c3)[NH+](C)C C01[X(C24H25Cl1N5O1S1)] 165 C1 538 O=C(Nc1ccc2c(c1)cccc2)CSc1nnc(n1c1ccc(cc1)Cl)[C@@H]([NH+](C)C)C O=C(Nc1ccc2c(c1)cccc2)CSc1nnc(n1c1ccc(cc1)Cl)[C@@H]([NH+](C)C)C C[C@H]([NH+](C)C)c1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1c4ccc(Cl)cc4 InChIKey=OHMSTTCLBUOGKV-INIZCTEOSA-O InChI=1S/C24H24ClN5OS/c1-16(29(2)3)23-27-28-24(30(23)21-12-9-19(25)10-13-21)32-15-22(31)26-20-11-8-17-6-4-5-7-18(17)14-20/h4-14,16H,15H2,1-3H3,(H,26,31)/p+1/t16-/m0/s1 InChI=1/C24H24ClN5OS/c1-16(29(2)3)23-27-28-24(30(23)21-12-9-19(25)10-13-21)32-15-22(31)26-20-11-8-17-6-4-5-7-18(17)14-20/h4-14,16H,15H2,1-3H3,(H,26,31)/p+1/t16-/m0/s1/fC24H25ClN5OS/h26,29H/q+1 C[C@@H](c1nnc(n1c2ccc(cc2)Cl)SCC(=O)Nc3ccc4ccccc4c3)[NH+](C)C C01[X(C24H25Cl1N5O1S1)] 165 C01 538 O=C(Nc1ccc2c(c1)cccc2)CSc1nnc(n1c1ccc(cc1)Cl)[C@@H]([NH+](C)C)C O=C(N[C]1[CH]=[CH][C]2[C]([CH]=1)[CH]=[CH][CH]=[CH]2)CS[C]1[N][N][C]([N@@]1[C]1[CH][CH][C]([CH][CH]1)Cl)[C@@H]([NH](C)C)C C[C@@H]([C]1[N][N][C](SCC(=O)NC2=C[C]3C=CC=C[C]3C=C2)N1[C]4[CH][CH][C](Cl)[CH][CH]4)[NH](C)C InChIKey=RWHHRMRBWBTGGM-INIZCTEOSA-N InChI=1S/C24H25ClN5OS/c1-16(29(2)3)23-27-28-24(30(23)21-12-9-19(25)10-13-21)32-15-22(31)26-20-11-8-17-6-4-5-7-18(17)14-20/h4-14,16,29H,15H2,1-3H3,(H,26,31)/t16-/m0/s1 InChI=1/C24H25ClN5OS/c1-16(29(2)3)23-27-28-24(30(23)21-12-9-19(25)10-13-21)32-15-22(31)26-20-11-8-17-6-4-5-7-18(17)14-20/h4-14,16,29H,15H2,1-3H3,(H,26,31)/t16-/m0/s1/f/h26H 3239.3338905494 -2127.2967434 1-A 28383.7425 122 416 538 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.92031 -92.06458 -20.61639 -15.85525 -15.77005 -15.71819 -15.69625 -15.67914 -11.47152 -11.44920 -11.44887 -11.44382 -11.44231 -11.43860 -11.41447 -11.41158 -11.38273 -11.37143 -11.36927 -11.36500 -11.36120 -11.36009 -11.34192 -11.29199 -11.29043 -11.28950 -11.28487 -11.27715 -11.27707 -11.27610 -11.27400 -11.27334 -10.65371 -9.07402 -8.12312 -8.11959 -8.11957 -6.75682 -6.75509 -6.75302 -1.55189 -1.49497 -1.48581 -1.38035 -1.33495 -1.30049 -1.27908 -1.22692 -1.22456 -1.20887 -1.17051 -1.16249 -1.15417 -1.14851 -1.11576 -1.10265 -1.09821 -1.06670 -1.04176 -1.04019 -1.02290 -0.97698 -0.97378 -0.95632 -0.93519 -0.91093 -0.89482 -0.89080 -0.86872 -0.85225 -0.84833 -0.84581 -0.83028 -0.80534 -0.79942 -0.78880 -0.77729 -0.77040 -0.75568 -0.75066 -0.74881 -0.74039 -0.73398 -0.73310 -0.73118 -0.72971 -0.72400 -0.72176 -0.70260 -0.69265 -0.69152 -0.68394 -0.68188 -0.66937 -0.66044 -0.65208 -0.64704 -0.64229 -0.63923 -0.63742 -0.62890 -0.62554 -0.61635 -0.58438 -0.58357 -0.58190 -0.56335 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1598.4309 1606.0666 1612.9147 1622.6247 1625.4940 1633.7845 1640.4671 1645.8396 1646.5825 1652.6646 1667.4230 1673.8869 1675.6078 1692.9404 1741.9076 1763.3688 1769.8292 1789.1683 1800.4596 1815.8760 1848.6619 1962.7837 3236.3997 3267.2737 3267.5378 3273.5964 3288.4193 3319.7985 3322.7531 3325.4965 3343.7959 3357.2723 3360.4098 3363.0979 3366.0708 3375.2235 3378.2373 3382.1646 3388.8948 3389.1261 3391.0066 3391.1699 3413.4838 3415.3371 3451.4221 3606.6924 3867.2283 4.5725 5.9496 9.8703 4.2676 5.1887 5.5507 4.2899 4.7453 4.6920 5.2734 3.0456 4.1473 7.3682 7.2537 6.1244 4.4686 5.6901 3.5832 5.1047 1.0626 3.6008 6.4841 1.1552 4.0033 3.9714 2.4581 3.9993 4.3006 7.5424 2.1197 3.4323 3.1706 3.6170 4.3451 4.2947 2.9983 3.0586 5.8438 2.5584 5.0719 5.5565 1.3488 4.1751 6.8813 3.2201 7.8032 2.1660 4.5633 6.4216 7.2010 2.7946 6.6770 7.3987 5.6906 4.1705 5.6791 6.6374 4.4694 5.0349 1.9235 1.7948 2.4825 5.7178 1.4461 1.2561 1.5598 1.4567 2.9293 4.7425 1.9186 1.4741 4.3340 5.8104 1.3168 2.3810 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1.1308 127.7199 38.6142 9.0738 2.9632 2.2814 0.7503 2.3898 5.0567 0.3503 4.4372 0.3070 0.8210 2.8541 0.9590 0.5743 1.0406 1.3549 0.9657 0.5057 0.1556 0.5472 0.0359 0.5640 1.1097 0.2016 3.0882 1.2460 1.1855 2.8794 0.3011 2.6858 0.7322 0.6020 6.3184 3.4043 0.0350 0.5897 0.1447 1.6020 2.2116 0.5615 4.1483 2.9396 3.0697 2.3531 5.3655 0.7050 2.2521 0.3711 3.7488 0.7326 4.9602 0.7146 4.6582 2.5939 3.0796 2.2358 7.1318 6.5099 6.9845 42.5653 5.2717 2.4995 13.8973 41.1253 0.7068 1.9760 0.1454 2.7098 6.3543 1.2170 1.3251 4.2138 3.0046 6.0904 0.1821 10.5662 5.2681 4.9846 0.0572 3.7096 15.9792 0.0466 3.7483 0.4847 8.2462 1.4745 7.0400 10.2469 2.1828 0.8013 10.9307 12.8987 13.8219 1.3759 13.2273 3.9583 10.4438 5.9662 4.5783 2.8385 3.2412 0.2438 3.4700 4.2048 2.9587 1.2844 1.0140 0.9626 3.7540 190.5670 12.6403 16.7399 259.0686 3.2083 0.2945 21.4109 4.4226 9.7120 15.4300 19.2996 21.9433 14.0612 16.3028 13.1901 25.8459 73.0602 16.6453 14.6398 13.6309 12.5624 15.5976 9.2996 21.6579 35.7977 39.1537 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1471.49 1485.60 1497.63 1528.95 1558.89 1561.93 1565.44 1576.51 1580.05 1584.14 1586.38 1596.24 1608.61 1620.54 1641.95 1656.00 1706.24 1711.61 1717.21 1720.93 1747.55 1783.63 1784.75 1829.80 1836.43 1857.46 1866.02 1866.61 1868.12 1879.03 1905.47 1932.04 1972.84 1983.86 1986.68 2005.24 2058.28 2081.40 2126.23 2133.45 2145.72 2159.57 2175.29 2185.23 2242.68 2252.23 2261.81 2279.28 2286.36 2299.79 2310.77 2320.62 2334.59 2338.72 2350.65 2360.27 2368.00 2369.06 2377.82 2399.05 2408.35 2410.83 2435.76 2506.22 2537.09 2546.39 2574.21 2590.46 2612.64 2659.81 2824.01 4656.46 4700.88 4701.26 4709.98 4731.30 4776.45 4780.70 4784.65 4810.98 4830.37 4834.88 4838.75 4843.03 4856.19 4860.53 4866.18 4875.86 4876.20 4878.90 4879.14 4911.24 4913.91 4965.83 5189.23 5564.08 0.494866 0.522682 0.523626 0.430578 -2126.801878 -2126.774062 -2126.773118 -2126.866166 3.120845D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE C[C@@H](c1nnc(n1c2ccc(cc2)Cl)SCC(=O)Nc3ccc4ccccc4c3)[NH+](C)C C09103233 RHF 6-31G(d) (6D,10F) C1 466.146835 |X|Y|Z| 68.978688 23.730701 151.862090 62.876972 25 6 7 16 20 4 1 |36.858105| |12.454087|36.858105| |8.854611|17.615469|0.500000| |7.607178|12.645276|0.246188|36.858105| |5.708238|7.818372|0.163600|14.926916|53.358707| |4.345364|5.312525|0.124717|8.912016|19.040997|53.358707| |4.380556|5.263106|0.130676|8.897130|12.159750|20.147723|36.858105| |5.774962|7.422651|0.186967|14.018494|11.950260|11.868527|13.890047|53.358707| |5.209520|6.018849|0.175985|7.569270|7.282217|7.256169|7.553507|18.087105|36.858105| |4.274854|5.145547|0.167679|5.761978|5.944375|5.849558|5.552374|10.642313|13.751619|36.858105| |3.598408|3.991421|0.129459|4.152546|4.547676|4.501611|4.069529|6.999974|7.953114|13.770085|36.858105| |3.497909|3.593585|0.111526|3.703793|4.126432|4.118643|3.702096|6.195816|6.923805|7.970146|13.752906|36.858105| |3.939407|3.840288|0.113361|4.061563|4.495226|4.524772|4.144528|6.998442|7.955428|6.858733|7.900444|13.752281|36.858105| |4.888667|4.838472|0.136623|5.528798|5.829602|5.898557|5.742398|10.633434|13.749043|7.913219|6.854937|7.967045|13.769835|36.858105| |2.760911|2.773129|0.085064|2.783266|3.238900|3.233651|2.781556|4.383349|4.250513|4.784356|7.064280|11.008717|7.062581|4.783180|448.794386| |3.251070|3.629705|0.095728|4.970982|6.729529|9.471434|10.877630|9.491344|5.965934|4.852962|3.897406|3.668088|4.084665|5.221071|22.716131|388.023441| |2.759095|3.047671|0.078771|4.013941|6.090762|8.944287|7.081466|6.443166|3.928210|3.409302|2.867103|2.718422|2.961551|3.567918|17.896958|74.565947|36.858105| |2.300648|2.482027|0.065550|3.082276|4.492270|5.868658|4.690714|4.882075|3.233047|2.917668|2.573478|2.485156|2.673805|3.063264|16.917283|50.166212|12.492927|36.858105| |2.222669|2.377496|0.063810|2.901192|4.067373|5.110652|4.298965|4.707220|3.284852|3.005571|2.714864|2.654700|2.844826|3.181085|18.204203|48.786650|8.027567|15.916059|73.516695| |2.059155|2.206070|0.058069|2.671796|3.970684|5.010510|3.741869|4.041933|2.670708|2.446792|2.186662|2.115429|2.256868|2.544334|14.719112|34.282529|7.933406|14.110522|14.918136|53.358707| |1.792408|1.898505|0.050455|2.233513|3.262658|3.933712|2.947152|3.340026|2.271474|2.119364|1.939969|1.893506|2.001401|2.198590|13.490125|26.077545|5.032410|7.636813|11.511109|18.296641|36.858105| |1.656969|1.748987|0.046338|2.027773|2.993097|3.530160|2.565051|2.955444|1.998580|1.873905|1.720002|1.676870|1.765715|1.932293|12.053649|21.329261|4.010438|5.144915|7.827701|10.803933|13.403226|36.858105| |1.485886|1.557693|0.041533|1.775498|2.589048|2.982858|2.180787|2.574975|1.769113|1.675377|1.559169|1.527901|1.599222|1.724396|11.147601|17.881640|3.149854|3.900132|6.367242|7.089461|7.901251|14.063581|36.858105| |1.421102|1.483917|0.039866|1.680913|2.412673|2.760090|2.058497|2.461908|1.721858|1.641846|1.546879|1.525185|1.590131|1.692826|11.241778|17.153234|2.891872|3.647089|6.339533|6.143912|6.786381|7.892463|13.423285|36.858105| |1.286250|1.336541|0.036045|1.494225|2.131456|2.398005|1.786265|2.172811|1.532634|1.471673|1.399803|1.384677|1.436371|1.513520|10.331870|14.597950|2.380300|2.876576|5.080780|4.598152|4.508307|5.122140|7.664476|13.427297|36.858105| |1.232787|1.276966|0.034627|1.419083|2.003201|2.238644|1.685617|2.072888|1.480639|1.429937|1.373991|1.365857|1.411210|1.471219|10.293771|13.825865|2.187556|2.629829|4.790807|4.025685|3.782126|3.947447|5.121106|7.897325|14.023180|36.858105| |1.285807|1.332031|0.036252|1.484727|2.078864|2.332560|1.782012|2.193749|1.582165|1.530653|1.478701|1.475578|1.523246|1.579255|11.145579|14.906320|2.318289|2.842572|5.364875|4.225844|3.949545|3.794153|4.526181|6.827647|7.923896|13.453180|36.858105| |1.413913|1.470514|0.039960|1.658130|2.323409|2.643694|2.037926|2.477649|1.783187|1.716238|1.647999|1.642303|1.702692|1.777050|12.270987|17.517092|2.755991|3.534490|6.831885|5.258127|5.133677|4.531911|5.117753|7.830528|6.834972|7.906561|14.020042|36.858105| |1.503670|1.571899|0.042392|1.792587|2.547714|2.941189|2.240826|2.670804|1.886600|1.798697|1.700078|1.681669|1.754724|1.862506|12.371061|19.344479|3.213897|4.283637|7.875782|6.928380|7.908839|6.844166|7.852380|13.540178|7.806962|6.799563|7.889137|13.412514|36.858105| |1.691869|1.780553|0.047831|2.068795|2.953169|3.494550|2.690444|3.128364|2.188836|2.065192|1.926100|1.897066|1.993754|2.147569|13.705512|24.241094|4.210781|6.285946|11.588699|10.552328|14.004636|7.902506|6.820955|7.772238|5.088515|4.510918|5.127752|7.697038|13.401663|36.858105| |7.486403|12.542853|0.252095|7.942333|9.764088|6.493877|4.289448|7.011599|4.203177|3.871496|3.149553|2.833204|2.947565|3.516305|18.487217|21.965780|2.779742|2.282054|3.827796|2.833158|1.802752|1.689279|1.508405|1.425190|1.288553|1.225233|1.266758|1.389251|1.491453|1.675779|53.358707| |6.601017|9.385103|0.184554|8.134656|12.313727|7.522138|4.591666|7.018705|3.987669|3.564157|2.899120|2.643653|2.796727|3.380862|17.322327|22.970762|3.003079|2.422546|3.996665|3.028230|1.909369|1.797043|1.593477|1.492823|1.343929|1.270290|1.308447|1.437457|1.555588|1.754443|25.562615|0.500000| |6.612566|7.488232|0.178817|5.090633|6.469684|4.830233|3.264518|5.166882|3.342230|3.137985|2.704127|2.501582|2.594517|2.972565|16.918066|17.910589|2.308506|1.952977|3.301067|2.460954|1.593694|1.508891|1.362693|1.291513|1.178313|1.123876|1.157820|1.259228|1.343573|1.491141|17.383631|0.257731|36.858105| |4.961823|7.647942|0.208449|6.284124|8.082096|5.956962|3.990250|6.285509|3.892827|3.878161|3.150861|2.729044|2.727851|3.162259|18.020345|21.193063|2.706682|2.244475|3.771754|2.796991|1.787188|1.677222|1.500823|1.419249|1.284827|1.222294|1.263183|1.383735|1.484116|1.663931|17.330271|0.260938|7.781280|36.858105| |17.612179|8.946051|0.212744|7.043051|7.004786|5.780290|4.578088|8.538336|6.222764|4.790319|4.086052|4.139918|4.932997|6.360235|25.378967|24.849436|2.851878|2.396329|4.176718|2.878794|1.842097|1.685668|1.512475|1.456478|1.316640|1.267174|1.329930|1.467636|1.553585|1.753759|7.505239|0.140287|4.846184|4.138930|0.500000| |17.612816|8.732929|0.213895|5.512360|6.043746|4.790259|3.537927|6.080024|4.286994|3.770152|3.327064|3.255523|3.555686|4.117610|21.404938|19.675749|2.389678|2.038364|3.523989|2.510838|1.627548|1.514982|1.370519|1.315356|1.199010|1.153055|1.200571|1.311784|1.386880|1.545598|9.037344|0.155024|7.108437|4.639419|0.303618|0.500000| |17.581753|8.768704|0.173079|6.883119|8.046130|6.106683|4.298708|7.096171|4.457501|3.630244|3.088290|3.042321|3.469441|4.301850|19.728917|22.711954|2.810140|2.329998|3.950107|2.867953|1.829206|1.702088|1.522128|1.446306|1.307319|1.247230|1.294962|1.422863|1.521884|1.712141|9.270297|0.190403|6.260277|4.490606|0.302181|0.298743|0.500000| |3.989067|5.134978|0.170124|5.790525|6.171286|6.013124|5.456957|9.775659|8.911413|17.723969|8.922748|5.658668|4.945574|5.636570|31.653063|32.963568|3.412940|2.896641|5.218444|3.341565|2.121721|1.887479|1.684509|1.641932|1.471192|1.424114|1.517245|1.697992|1.788589|2.051184|5.562763|0.103904|3.235964|4.383041|0.117033|0.098800|0.095313|0.500000| |3.121642|3.486888|0.113802|3.548982|4.017382|3.966916|3.461360|5.671249|5.650250|8.909551|17.757413|8.920785|5.635456|4.945847|53.954463|23.915791|2.585241|2.361286|4.430279|2.770019|1.827190|1.630292|1.488464|1.481773|1.348823|1.328576|1.428893|1.583394|1.624018|1.823036|3.923231|0.073459|2.517126|2.976343|0.095214|0.082185|0.075264|0.214558|0.500000| |3.536550|3.313066|0.095681|3.450015|3.954196|3.994937|3.543291|5.670030|5.651944|4.947890|5.635351|8.920048|17.758413|8.913229|53.929506|25.457436|2.709836|2.501747|4.756384|2.909209|1.920065|1.700474|1.551295|1.550496|1.407904|1.389427|1.501794|1.671567|1.710432|1.927235|3.567545|0.069747|2.366241|2.408930|0.122008|0.090461|0.088881|0.107457|0.124164|0.500000| |5.009988|4.635621|0.122860|5.395584|5.952420|6.106859|5.783991|9.765724|8.912345|5.637149|4.943783|5.656783|8.919638|17.730014|31.643224|37.247645|3.706532|3.160021|5.758419|3.587152|2.266778|1.995674|1.774619|1.734254|1.546648|1.497707|1.602879|1.804941|1.902651|2.198642|4.675077|0.094263|2.938579|2.998130|0.184071|0.114696|0.129440|0.124083|0.107424|0.214555|0.500000| |2.859142|3.084318|0.077881|4.049220|6.363633|9.367441|6.698566|6.222031|3.711724|3.140802|2.659494|2.566202|2.850933|3.467318|16.991522|56.263385|17.616581|8.814245|10.985486|9.629087|4.692390|3.933348|3.091922|2.792009|2.314150|2.113249|2.211502|2.593318|3.029742|3.861774|3.854784|0.086608|2.369645|2.682491|0.081626|0.068343|0.083000|0.086267|0.066359|0.073498|0.103799|0.500000| |2.701334|3.071302|0.079597|4.041713|6.357918|9.366636|6.681321|6.205760|3.708845|3.334195|2.775640|2.567823|2.728104|3.250463|17.005675|56.254991|17.616404|8.818931|11.007958|9.610820|4.688111|3.925089|3.087629|2.790660|2.313282|2.113358|2.212643|2.595325|3.030607|3.864116|3.927056|0.087186|2.371519|2.886632|0.075938|0.065385|0.076122|0.096164|0.070608|0.068827|0.091614|0.302209|0.500000| |2.099567|2.258471|0.058851|2.743521|4.189677|5.319242|3.779517|4.047440|2.610629|2.381660|2.108301|2.028186|2.165207|2.462932|14.074705|32.137000|7.780861|9.508464|10.876845|26.057730|9.317821|7.699520|4.977924|4.075484|3.138241|2.715865|2.773916|3.320445|4.278173|5.775885|2.944496|0.065025|1.875781|2.132976|0.059207|0.052158|0.060238|0.066928|0.054533|0.056829|0.071185|0.212496|0.211459|0.500000| |1.702788|1.802760|0.047422|2.094930|3.144150|3.712680|2.627963|3.008692|2.002213|1.869004|1.700568|1.650128|1.740641|1.921546|11.797531|21.155958|4.083433|4.847175|7.079812|10.033250|8.796996|17.689824|9.032372|5.618668|4.148612|3.292890|3.136570|3.607673|4.934914|5.639641|2.395004|0.052445|1.570032|1.745345|0.047733|0.043175|0.048909|0.052563|0.044713|0.046410|0.055302|0.114651|0.114258|0.238292|0.500000| |1.408906|1.473858|0.039258|1.665648|2.436604|2.772099|2.003279|2.386759|1.636692|1.553604|1.447732|1.417773|1.481073|1.594225|10.386433|16.015830|2.782831|3.285602|5.353509|5.752459|5.623079|9.038405|17.713001|8.825160|7.019147|4.686021|3.934006|4.153245|5.603690|4.924623|1.959405|0.042296|1.309051|1.433323|0.039631|0.036252|0.040202|0.043503|0.038504|0.039966|0.045586|0.076958|0.076830|0.117749|0.218063|0.500000| |1.234878|1.281949|0.034515|1.426353|2.042989|2.283170|1.683955|2.055275|1.443596|1.386622|1.317122|1.300792|1.348560|1.422741|9.715178|13.522634|2.208271|2.600212|4.517309|4.163100|3.925491|4.694162|7.029398|8.835518|17.706276|8.995102|5.625756|4.931379|5.589106|4.138198|1.693680|0.036113|1.142677|1.241214|0.034957|0.032057|0.034958|0.038607|0.035304|0.036718|0.040427|0.060235|0.060195|0.081205|0.111384|0.212204|0.500000| |1.152965|1.191163|0.032354|1.313936|1.850625|2.049722|1.539232|1.908987|1.367603|1.325276|1.279002|1.273011|1.311610|1.360957|9.658234|12.462049|1.947889|2.290147|4.162827|3.457580|3.128273|3.291316|4.143523|5.617713|9.004268|17.723035|8.822598|5.646355|4.914322|3.595775|1.560403|0.032951|1.057269|1.144369|0.032870|0.030081|0.032392|0.036676|0.034467|0.035961|0.038441|0.052528|0.052529|0.065781|0.078996|0.111031|0.216252|0.500000| |1.231362|1.271905|0.034758|1.408155|1.957681|2.179281|1.672639|2.081141|1.514892|1.473305|1.435984|1.438816|1.479162|1.519140|10.978206|13.916585|2.114757|2.545608|4.862131|3.683466|3.295344|3.137388|3.605254|4.928633|5.654267|8.828894|17.719081|9.013517|5.616247|4.153976|1.643420|0.034493|1.107819|1.204519|0.035450|0.032056|0.034342|0.040467|0.038690|0.040676|0.042691|0.056036|0.056075|0.067658|0.074198|0.089679|0.124085|0.213885|0.500000| |1.456480|1.513961|0.041320|1.708346|2.370556|2.698287|2.112060|2.580386|1.879826|1.814403|1.754738|1.756847|1.818439|1.883688|13.169148|18.469126|2.819649|3.633790|7.379851|5.126829|4.712173|3.946499|4.160009|5.598461|4.931827|5.620225|8.996115|17.712205|8.833282|7.083640|1.930580|0.040584|1.283019|1.412167|0.042252|0.037511|0.040511|0.049587|0.046813|0.049671|0.052921|0.072838|0.072932|0.088757|0.089890|0.095870|0.107150|0.124021|0.216624|0.500000| |1.763375|1.856070|0.050132|2.164367|3.045351|3.614276|2.860061|3.335189|2.370023|2.238566|2.099069|2.076495|2.182920|2.339035|14.971114|26.863884|4.427685|6.843309|14.928232|9.528726|8.994986|5.621113|4.932533|5.583116|4.147364|3.936059|4.709276|7.075831|8.837215|17.815721|2.347783|0.049857|1.528968|1.711383|0.051221|0.044653|0.049229|0.061278|0.055011|0.058577|0.066176|0.109539|0.109729|0.143348|0.123885|0.107171|0.095699|0.089750|0.111718|0.215045|0.500000| |6.266575|6.871016|0.188387|4.560857|5.518186|4.300714|3.017768|4.874320|3.313427|3.203967|2.819250|2.600448|2.650223|2.964779|17.741791|16.968955|2.151401|1.845011|3.155665|2.316445|1.511060|1.426380|1.295305|1.236004|1.131836|1.084959|1.121007|1.216940|1.289869|1.426483|12.293638|0.180203|17.645389|6.936057|0.133072|0.208474|0.151306|0.091449|0.073601|0.067053|0.079877|0.060655|0.061086|0.048628|0.040960|0.034531|0.030448|0.028403|0.029907|0.034561|0.040805|0.500000| |4.857379|5.526620|0.137759|4.267576|5.768605|4.442215|2.948086|4.482851|2.897914|2.767545|2.409397|2.223244|2.284081|2.583935|15.285849|16.510925|2.182798|1.859505|3.126585|2.371706|1.543290|1.474013|1.334499|1.260190|1.152674|1.096966|1.124830|1.218912|1.302808|1.439172|12.381243|0.220391|17.654253|7.379054|0.106257|0.141304|0.133562|0.080494|0.063231|0.058273|0.071055|0.062209|0.063019|0.050509|0.042799|0.035782|0.031166|0.028718|0.029872|0.034355|0.040747|0.299690|0.500000| |7.311394|6.759920|0.153698|4.819732|6.219747|4.714187|3.181137|4.977892|3.224849|2.939668|2.563596|2.433340|2.580879|2.968005|16.532572|17.584491|2.279739|1.933442|3.265264|2.443031|1.584263|1.502752|1.358068|1.286313|1.174269|1.119558|1.152258|1.252163|1.336417|1.481534|12.251873|0.224289|17.695796|5.635888|0.143979|0.224373|0.214470|0.082072|0.065648|0.066333|0.083613|0.065991|0.064204|0.051775|0.043468|0.036275|0.031656|0.029267|0.030621|0.035408|0.042143|0.298815|0.300701|0.500000| |4.588326|7.180323|0.197282|7.176134|9.432143|7.081785|4.727646|7.322498|4.347438|4.377224|3.414811|2.889346|2.874709|3.383876|18.759036|24.406631|3.090041|2.514991|4.203855|3.100509|1.957243|1.821798|1.617265|1.526763|1.372996|1.303414|1.350688|1.488780|1.603960|1.814555|12.278641|0.223691|5.635871|17.695033|0.111633|0.114246|0.116241|0.143993|0.089213|0.069615|0.088126|0.083539|0.093284|0.065667|0.052642|0.042681|0.036722|0.033761|0.035673|0.042264|0.051987|0.142533|0.147864|0.126096|0.500000| 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