Version2.0 2020-07-20T04:46:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccc(cc2)C[NH+]3CCCC3)c4ccc(c(c4)C)C C44857265 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccc(cc2)C[NH+]3CCCC3)c4ccc(c(c4)C)C C01[X(C29H36N3O3S1)] 210 C1 616 O=C(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)C)C)NCc1ccc(cc1)C[NH+]1CCCC1 O=C(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)C)C)NCc1ccc(cc1)C[NH+]1CCCC1 Cc1ccc(cc1)[S](=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c4ccc(C)c(C)c4 InChIKey=VBHOTXZJGDCTRJ-UHFFFAOYSA-O InChI=1S/C29H35N3O3S/c1-22-6-14-28(15-7-22)36(34,35)32(27-13-8-23(2)24(3)18-27)21-29(33)30-19-25-9-11-26(12-10-25)20-31-16-4-5-17-31/h6-15,18H,4-5,16-17,19-21H2,1-3H3,(H,30,33)/p+1 InChI=1/C29H35N3O3S/c1-22-6-14-28(15-7-22)36(34,35)32(27-13-8-23(2)24(3)18-27)21-29(33)30-19-25-9-11-26(12-10-25)20-31-16-4-5-17-31/h6-15,18H,4-5,16-17,19-21H2,1-3H3,(H,30,33)/p+1/fC29H36N3O3S/h30-31H/q+1 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccc(cc2)C[NH+]3CCCC3)c4ccc(c(c4)C)C C01[X(C29H36N3O3S1)] 210 C01 616 O=C(CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)C)C)NCc1ccc(cc1)C[NH+]1CCCC1 O=C(CN([S]([O])([O])[C]1[CH][CH][C]([CH][CH]1)C)[C]1[CH][CH][C]([C]([CH]1)C)C)NC[C]1[CH][CH][C]([CH][CH]1)C[NH]1CCCC1 C[C]1[CH][CH][C]([CH][CH]1)[S]([O])([O])N(CC(=O)NC[C]2[CH][CH][C]([CH][CH]2)C[NH]3CCCC3)[C]4[CH][CH][C](C)[C](C)[CH]4 InChIKey=DCYTVOKKUGTVIR-UHFFFAOYSA-N InChI=1S/C29H36N3O3S/c1-22-6-14-28(15-7-22)36(34,35)32(27-13-8-23(2)24(3)18-27)21-29(33)30-19-25-9-11-26(12-10-25)20-31-16-4-5-17-31/h6-15,18,31H,4-5,16-17,19-21H2,1-3H3,(H,30,33) InChI=1/C29H36N3O3S/c1-22-6-14-28(15-7-22)36(34,35)32(27-13-8-23(2)24(3)18-27)21-29(33)30-19-25-9-11-26(12-10-25)20-31-16-4-5-17-31/h6-15,18,31H,4-5,16-17,19-21H2,1-3H3,(H,30,33)/f/h30H 4433.8340905803 -1904.3731482 1-A 16621.6183 135 481 616 |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|A|A|A| -92.31492 -20.66458 -20.65861 -20.60961 -15.80555 -15.70259 -15.66692 -11.43079 -11.41562 -11.41162 -11.40482 -11.37205 -11.36234 -11.35639 -11.35555 -11.35405 -11.35156 -11.35143 -11.34996 -11.34960 -11.34954 -11.34167 -11.33951 -11.33769 -11.33126 -11.33078 -11.33018 -11.32589 -11.31934 -11.31644 -11.31624 -11.31113 -11.30881 -11.30743 -11.29442 -11.29141 -9.28599 -6.97272 -6.97203 -6.97063 -1.58271 -1.47882 -1.46101 -1.45560 -1.35928 -1.32250 -1.27059 -1.26830 -1.23806 -1.21552 -1.16634 -1.15880 -1.14571 -1.13520 -1.12574 -1.12096 -1.11738 -1.10116 -1.07378 -1.04977 -1.02813 -1.01071 -1.00422 -1.00151 -0.95450 -0.94950 -0.94006 -0.93600 -0.90992 -0.90531 -0.89727 -0.87407 -0.86811 -0.86148 -0.83185 -0.82608 -0.80967 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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|A|A|A|A|A|A|A| 0.01369 0.02115 0.03629 0.03736 0.05062 0.06875 0.08179 0.10376 0.10675 0.12219 0.13488 0.13811 0.14570 0.15150 0.15610 0.16034 0.16395 0.17016 0.17402 0.17782 0.17918 0.18930 0.19046 0.19487 0.19803 0.20347 0.20548 0.20809 0.21111 0.21389 0.21712 0.21837 0.22201 0.22532 0.22938 0.23473 0.23979 0.24646 0.24841 0.25075 0.25637 0.25708 0.26042 0.26419 0.26471 0.26672 0.26966 0.27451 0.27631 0.28435 0.28558 0.29280 0.30535 0.31213 0.31387 0.32252 0.32460 0.33189 0.33931 0.34459 0.35836 0.36106 0.36489 0.37507 0.37554 0.38042 0.39172 0.40538 0.41517 0.42081 0.42538 0.42961 0.43213 0.44433 0.45027 0.45218 0.45951 0.46834 0.48360 0.51286 0.51908 0.53446 0.54650 0.56325 0.58235 0.58481 0.59378 0.59486 0.60532 0.61088 0.62037 0.62255 0.63612 0.63801 0.64205 0.64603 0.65040 0.65534 0.66118 0.66410 0.66579 0.67006 0.67664 0.68029 0.68254 0.68789 0.69890 0.70172 0.70411 0.70857 0.71300 0.71942 0.72297 0.72643 0.72975 0.73197 0.73610 0.74021 0.74319 0.74533 0.75370 0.75638 0.75854 0.76322 0.77243 0.77902 0.78201 0.78765 0.79007 0.79625 0.80269 0.80504 0.80863 0.81102 0.81881 0.83157 0.83774 0.84854 0.85346 0.86232 0.86442 0.87110 0.87901 0.88322 0.88872 0.90310 0.90761 0.91051 0.92083 0.92550 0.93145 0.93510 0.93959 0.94175 0.94521 0.95002 0.95100 0.95751 0.95990 0.97119 0.97616 0.98176 0.98545 0.98821 0.99304 1.00090 1.00324 1.01209 1.01262 1.01543 1.02378 1.02469 1.02549 1.03010 1.03367 1.03990 1.04371 1.04660 1.05193 1.05988 1.06289 1.06524 1.06738 1.06979 1.07550 1.08024 1.08682 1.08727 1.09577 1.09878 1.10040 1.10712 1.11103 1.11469 1.11548 1.11872 1.12381 1.12911 1.13878 1.14027 1.14323 1.14494 1.15135 1.15518 1.16211 1.16965 1.17412 1.17737 1.18312 1.19132 1.19309 1.20700 1.21863 1.22371 1.22835 1.23721 1.23907 1.25871 1.26681 1.27627 1.28152 1.29217 1.29570 1.31207 1.31723 1.32356 1.32777 1.33514 1.33639 1.34819 1.35539 1.35669 1.36238 1.37779 1.38988 1.40005 1.40150 1.41031 1.41309 1.41543 1.42512 1.42704 1.43406 1.44286 1.45380 1.47458 1.48061 1.49026 1.49441 1.51628 1.52649 1.53142 1.55765 1.56030 1.57004 1.57976 1.58195 1.58438 1.60310 1.60518 1.61184 1.61746 1.62550 1.63535 1.64522 1.64694 1.65572 1.66519 1.66771 1.67299 1.68160 1.68712 1.69020 1.69416 1.70536 1.72408 1.74063 1.75277 1.75798 1.80509 1.80882 1.83087 1.84939 1.84979 1.87827 1.88506 1.93444 1.93756 1.94020 1.95345 1.95832 1.96999 1.97860 1.99178 1.99545 1.99980 2.00092 2.00943 2.01344 2.01815 2.02163 2.02610 2.03327 2.03770 2.04774 2.05226 2.05417 2.06232 2.07282 2.07525 2.08177 2.08322 2.08996 2.10285 2.10506 2.11080 2.11841 2.12293 2.13763 2.13986 2.14601 2.15369 2.15494 2.16710 2.17120 2.17906 2.18156 2.18674 2.19235 2.20171 2.20666 2.21266 2.21897 2.22947 2.24273 2.25219 2.25859 2.26937 2.27759 2.28502 2.29193 2.30450 2.31015 2.31843 2.32908 2.33579 2.34065 2.34951 2.35410 2.35705 2.36067 2.36663 2.37548 2.38129 2.39289 2.39821 2.40399 2.40754 2.41483 2.42027 2.42738 2.43150 2.43460 2.45683 2.46160 2.48294 2.48614 2.49713 2.50059 2.50724 2.52251 2.53098 2.53774 2.54402 2.54726 2.55723 2.55834 2.56365 2.57416 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12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 15766.4147 19053.0827 23510.7785 0.99981 0.01932 -0.00231 -0.01927 0.99965 0.01834 0.00266 -0.01829 0.99983 1 0.00549 0.00455 0.00368 0.11447 0.09472 0.07676 19.84 23.16 32.68 35.62 43.97 51.26 67.68 78.01 85.19 92.07 95.63 109.75 127.83 138.94 147.48 157.64 182.95 202.06 231.49 257.78 267.65 271.06 276.59 292.68 333.87 346.20 374.06 396.03 424.85 432.22 460.90 478.49 507.35 520.00 523.93 549.42 593.10 596.48 610.56 654.33 663.87 666.40 673.46 708.79 721.24 737.08 774.29 788.73 804.91 823.08 864.74 870.02 905.45 921.35 961.42 973.04 991.09 999.87 1002.43 1010.49 1033.15 1091.06 1128.37 1143.20 1154.48 1162.97 1210.03 1230.64 1255.84 1261.61 1301.18 1319.34 1320.40 1323.19 1334.69 1347.89 1355.87 1372.82 1378.20 1398.39 1403.63 1445.47 1459.38 1464.24 1510.46 1546.19 1554.73 1560.06 1570.92 1578.82 1581.26 1588.87 1591.12 1599.13 1600.28 1602.81 1606.60 1608.21 1616.54 1664.28 1670.05 1679.01 1688.15 1689.68 1700.35 1708.80 1718.59 1734.67 1737.12 1742.92 1780.07 1793.52 1819.53 1864.28 1883.89 1888.39 1889.82 1891.65 1895.30 1901.52 1908.93 1917.66 1922.58 1942.03 1943.63 1960.91 1999.38 2014.83 2017.43 2027.61 2058.82 2069.98 2101.01 2109.53 2111.74 2128.62 2145.23 2149.80 2173.00 2195.20 2218.26 2227.85 2243.63 2245.64 2256.64 2259.60 2267.63 2282.97 2303.82 2337.10 2338.49 2344.09 2346.26 2351.52 2355.05 2355.65 2357.95 2358.61 2360.06 2365.95 2378.99 2380.19 2409.58 2411.12 2412.44 2436.45 2472.89 2537.10 2547.93 2551.48 2592.89 2611.34 2620.91 2827.85 4612.83 4618.05 4622.38 4690.42 4690.82 4693.79 4696.46 4700.31 4706.97 4707.42 4711.77 4726.61 4727.49 4736.33 4738.70 4746.65 4755.92 4778.04 4787.01 4798.97 4813.36 4821.56 4826.05 4828.09 4844.22 4848.77 4856.72 4857.04 4857.81 4871.13 4900.76 4905.29 4907.74 4910.25 5174.42 5541.33 0.657404 0.690110 0.691054 0.588369 -1903.715744 -1903.683038 -1903.682094 -1903.784780 3.444105D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccc(cc2)C[NH+]3CCCC3)c4ccc(c(c4)C)C C44857265 RHF 6-31G(d) (6D,10F) C1 506.247739 |X|Y|Z| 76.039914 86.594199 57.800415 72.469254 30 6 7 16 26 3 1 |36.858105| |12.621705|36.858105| |7.548604|13.683488|36.858105| |5.013170|7.884564|13.781841|36.858105| |4.440274|6.849742|7.967928|13.722320|36.858105| |5.015922|7.886357|6.873290|7.898085|13.720229|36.858105| |7.555809|13.682765|7.958275|6.871371|7.966514|13.784407|36.858105| |3.146279|4.190917|4.737456|6.954297|10.795417|6.987133|4.747634|388.023441| |2.869598|3.682165|3.835271|4.951548|7.332897|6.487040|4.424171|94.303007|73.516695| |2.873841|3.690089|4.409689|6.435252|7.377510|5.005997|3.861489|93.736890|13.703310|73.516695| |2.825146|3.606686|4.012535|5.385633|6.907120|5.329047|3.989065|83.145147|13.769724|13.556096|53.358707| |2.565431|3.161992|3.301284|4.047066|5.143527|4.690966|3.621054|50.376443|12.076529|8.938527|17.595712|36.858105| |2.151084|2.568174|2.686567|3.222065|3.886808|3.570502|2.877147|38.791321|10.241367|7.927042|10.572109|12.468747|36.858105| |1.974542|2.320156|2.461548|2.921454|3.351045|3.030172|2.525030|32.042047|7.891218|7.160018|8.654473|8.037620|15.887129|73.516695| |2.048870|2.423026|2.483927|2.927687|3.571381|3.415657|2.759141|34.800036|10.616999|7.207701|7.725477|7.792392|14.064307|15.023012|53.358707| |1.804348|2.094413|2.160264|2.512180|2.947781|2.798928|2.333112|27.842740|8.217666|6.323566|5.795557|5.029913|7.809755|12.135278|17.763375|36.858105| |1.825806|2.130491|2.236358|2.640004|3.067832|2.822579|2.343278|30.065467|8.804467|7.329409|5.790555|4.450378|6.096031|9.981487|10.721787|12.567887|36.858105| |1.836975|2.137015|2.222503|2.600095|3.032069|2.837675|2.364318|28.766461|8.903910|7.102326|5.060789|3.774397|4.588034|7.293148|7.987999|7.551376|13.723118|36.858105| |1.860740|2.164187|2.282882|2.681649|3.059288|2.801401|2.354874|28.632414|8.429647|7.652028|4.756599|3.326728|3.784444|6.191057|5.958910|5.031547|7.907962|13.760754|36.858105| |1.875107|2.187753|2.368372|2.825184|3.130035|2.755050|2.326941|29.825623|7.961273|8.768673|4.996856|3.317937|3.736036|6.369770|5.441589|4.451546|6.832512|7.931778|13.730998|36.858105| |1.842674|2.152773|2.351704|2.828415|3.111776|2.699239|2.276449|30.522958|7.720756|8.945981|5.574123|3.688716|4.367492|7.857679|6.048543|5.044357|7.924556|6.901956|7.957800|13.705941|36.858105| |1.817352|2.122914|2.282326|2.728062|3.076234|2.726280|2.281318|30.582281|8.052714|8.074724|6.059380|4.314599|5.735602|10.548065|8.171395|7.563562|13.688647|7.959565|6.881102|7.916405|13.793740|36.858105| |1.892558|2.192680|2.406479|2.846362|3.032007|2.642424|2.280344|27.137738|6.864894|8.498588|4.403060|2.839872|3.024928|5.198953|4.257083|3.314916|4.454783|5.036888|7.550978|12.671609|7.633317|5.058956|36.858105| |2.196559|2.595337|2.912610|3.535540|3.723246|3.130438|2.674978|32.964504|7.938409|11.333848|4.927875|3.032373|3.060680|5.146416|4.206325|3.084529|3.920196|4.328396|5.823197|7.711869|5.827858|4.325042|12.623816|53.358707| |2.340339|2.822376|3.229716|4.091429|4.355073|3.497210|2.914536|41.632845|9.351612|16.583813|6.021517|3.530017|3.518602|5.894382|4.702438|3.357951|4.259755|4.465431|5.631959|7.576907|6.508765|4.856216|9.234865|25.533198|0.500000| |2.170175|2.515458|2.872140|3.383670|3.335319|2.815423|2.502021|26.937215|6.218307|9.061857|4.190701|2.581938|2.554232|4.376791|3.439449|2.505673|3.029858|3.239747|4.047245|5.011077|4.277331|3.351691|7.546458|17.363602|0.258318|36.858105| |2.548423|2.984947|3.476276|4.069914|3.857321|3.222046|2.905824|28.638940|6.452093|9.428543|4.271268|2.599491|2.471968|4.163718|3.307152|2.334637|2.721929|2.901540|3.455009|3.945078|3.479629|2.913220|5.058032|10.950420|0.202026|12.501680|36.858105| |2.697811|3.207571|3.571490|4.171916|4.267578|3.694080|3.259895|31.486254|7.618967|9.581082|4.437537|2.756444|2.606567|4.268856|3.586791|2.509196|2.924963|3.243391|3.891415|4.143252|3.485493|2.993609|5.025199|10.729392|0.193270|7.847916|12.333714|36.858105| |2.369701|2.813682|3.068379|3.657944|3.991736|3.487349|2.966376|33.420138|8.719029|10.208033|4.727124|2.985676|2.939657|4.784095|4.162636|2.988710|3.671169|4.287635|5.631116|5.973064|4.507536|3.720309|7.475923|17.242982|0.261045|8.019508|7.746156|12.377480|36.858105| |2.752431|3.432946|3.992865|5.247849|5.633066|4.334492|3.546318|50.962392|8.905059|11.355048|18.001042|7.573827|5.675812|9.860900|5.755225|3.463663|3.494952|3.057204|2.956105|3.218740|3.673134|3.861093|2.950748|4.475167|0.110661|2.946141|2.997856|2.951181|3.039942|36.858105| |3.027737|3.747954|4.374339|5.389994|5.336648|4.311776|3.740119|38.624345|7.226164|8.540163|10.602345|5.872073|4.357552|7.556615|4.675603|2.853280|2.819012|2.536839|2.463070|2.630960|2.905326|3.021712|2.477033|3.766042|0.089904|2.571045|2.690448|2.642680|2.627267|13.791178|36.858105| |2.741549|3.226539|3.780616|4.343269|4.020052|3.374758|3.093431|28.598191|5.650939|6.884871|6.989843|4.236956|3.493021|6.365157|3.864793|2.461211|2.448814|2.212732|2.172388|2.345762|2.599526|2.664597|2.249492|3.375391|0.079130|2.375053|2.465943|2.356577|2.319994|7.980448|13.748163|36.858105| |2.357973|2.724723|3.189650|3.680644|3.420233|2.867137|2.619220|25.797284|5.185850|6.629389|6.137535|3.740879|3.325150|6.338822|3.698203|2.432465|2.462317|2.203267|2.182773|2.408977|2.728236|2.763858|2.322526|3.429244|0.080354|2.438172|2.464019|2.297488|2.287634|6.841013|7.875769|13.734164|36.858105| |2.219098|2.594764|3.030088|3.633556|3.496435|2.874798|2.549608|28.718757|5.723887|7.735261|6.961383|4.094519|3.822903|7.551390|4.178491|2.786013|2.883898|2.525442|2.510408|2.843857|3.345605|3.374683|2.706053|3.947637|0.094397|2.755756|2.696939|2.494853|2.549390|7.894144|6.823304|7.923145|13.581179|36.858105| |2.366035|2.848644|3.318087|4.195370|4.275748|3.398025|2.881988|39.086109|7.397908|10.393971|10.599945|5.537255|5.073459|9.860588|5.275756|3.402393|3.554111|3.045598|2.994510|3.403932|4.091500|4.212381|3.133079|4.619996|0.114658|3.077248|3.000788|2.844121|2.977266|13.743482|7.949502|6.925194|7.924869|13.754164|36.858105| |1.916518|2.189919|2.517557|2.934358|2.829950|2.389724|2.150159|23.226835|4.869612|6.464660|5.236588|3.268543|3.259603|6.596103|3.709361|2.591636|2.730774|2.394570|2.409021|2.778618|3.319521|3.277245|2.676694|3.774440|0.088127|2.684156|2.539932|2.307388|2.382353|5.023172|4.427119|5.013873|7.511082|12.604729|7.596499|36.858105| |2.116891|2.362113|2.719318|2.988719|2.746814|2.381047|2.240633|20.145839|4.218381|5.224966|4.521149|2.904523|2.666986|5.096210|3.069975|2.068885|2.092761|1.896276|1.889208|2.076013|2.321370|2.331532|2.031336|2.960604|0.067654|2.153655|2.171087|2.006878|1.982333|4.435220|5.017507|7.587780|12.610458|7.514323|5.016563|6.443899|36.858105| |17.539838|8.880518|6.226985|4.437752|3.995106|4.477964|6.337509|20.821843|4.845776|4.853105|3.506736|2.346443|2.007583|3.280703|2.638907|1.728192|1.763425|1.796075|1.836158|1.843593|1.789289|1.750165|1.880730|2.979982|0.063886|2.183564|2.596188|2.778904|2.397513|2.486836|2.663158|2.430103|2.140070|2.044166|2.179524|1.793569|1.937245|0.500000| |17.585378|8.847787|5.661101|4.205479|3.972797|4.701261|7.070555|20.755216|4.848928|4.652000|3.658448|2.514646|2.107265|3.429312|2.743514|1.768660|1.765911|1.772375|1.774418|1.771168|1.746305|1.742256|1.767389|2.748165|0.059612|1.973098|2.269528|2.419326|2.177015|2.597823|2.871200|2.597923|2.226260|2.089822|2.227229|1.809197|2.007941|0.302143|0.500000| |17.589523|8.843429|7.130309|4.717371|3.971190|4.191087|5.626922|20.733923|4.643331|4.851127|3.651843|2.418658|2.042922|3.380650|2.621645|1.708216|1.731172|1.728380|1.755147|1.787994|1.771925|1.742345|1.814060|2.853935|0.062130|2.101325|2.455774|2.523865|2.217584|2.698057|3.026638|2.825436|2.429653|2.247219|2.347694|1.944052|2.213526|0.301979|0.301432|0.500000| |6.998788|8.905402|17.720080|8.963666|5.665280|4.952378|5.651879|27.848795|5.724081|6.858881|4.701397|2.874882|2.403539|3.995203|3.021356|1.964548|2.041097|2.024227|2.093652|2.195001|2.187888|2.106127|2.262575|3.700451|0.082779|2.767270|3.355667|3.301675|2.807842|3.588456|3.986100|3.668929|3.155443|2.943575|3.105723|2.483054|2.768756|0.166157|0.143926|0.215062|0.500000| |4.089422|5.623620|8.919781|17.756598|8.899307|5.629349|4.954214|47.035885|8.102299|12.933202|7.293562|3.878411|3.191896|5.286104|3.892257|2.500156|2.674095|2.605869|2.727378|2.966289|3.014644|2.847551|3.040905|5.209949|0.125917|3.760462|4.503615|4.276789|3.751289|5.687269|5.643208|4.745407|4.177840|4.194390|4.792903|3.357803|3.342453|0.103383|0.096968|0.112018|0.216043|0.500000| |4.092154|5.624664|4.955092|5.629132|8.897479|17.753072|8.922348|47.386023|13.269778|8.224526|7.142329|5.056745|3.870710|5.655494|5.233507|3.078178|3.042800|3.085211|2.967861|2.830491|2.756574|2.844044|2.646369|4.162729|0.093957|2.682192|2.981129|3.487434|3.452767|4.044187|3.890775|3.064767|2.649677|2.698414|3.218224|2.273537|2.213241|0.104644|0.111450|0.096547|0.107564|0.123903|0.500000| |7.008176|8.903998|5.651613|4.951369|5.664605|8.964213|17.719805|27.922696|6.902023|5.767813|4.663725|3.270629|2.657802|4.150041|3.534796|2.210422|2.191330|2.224880|2.195589|2.137571|2.082914|2.104804|2.084405|3.261911|0.071381|2.241500|2.563260|2.892292|2.673406|3.047899|3.205917|2.712178|2.324127|2.261515|2.528462|1.936973|2.022262|0.171199|0.211022|0.142637|0.124118|0.107549|0.216116|0.500000| |2.514178|3.040719|3.162170|3.748530|4.486254|4.178624|3.405620|38.555569|8.865774|7.428758|12.541166|17.664450|8.963519|13.080368|8.059999|4.212926|3.690618|3.153990|2.821948|2.844797|3.176165|3.663395|2.491461|3.599899|0.084344|2.318635|2.343718|2.440251|2.586047|7.491617|6.555997|4.730564|4.043377|4.242016|5.440295|3.324305|3.125835|0.063177|0.069157|0.066686|0.077687|0.100336|0.121314|0.086379|0.500000| |2.720944|3.376627|3.386782|4.060943|5.441831|5.447618|4.067362|48.902208|13.562129|8.262854|12.288004|17.653145|8.734572|10.433717|10.133946|4.759490|4.173243|3.737017|3.275389|3.151443|3.349021|3.835683|2.722088|3.990408|0.092985|2.494658|2.554983|2.788011|3.003228|5.724140|4.924106|3.661200|3.196911|3.393012|4.337577|2.785599|2.564474|0.069181|0.074980|0.069873|0.080445|0.103501|0.177292|0.103750|0.301497|0.500000| |2.196622|2.624734|2.654054|3.134344|3.961196|3.891264|3.064460|38.663611|13.441072|7.607850|7.795726|7.571436|9.526893|10.963340|26.007305|9.117386|6.993043|6.077662|4.582175|4.025849|4.210123|5.260596|3.194416|4.401260|0.099931|2.617375|2.559357|2.854300|3.325497|4.090616|3.382898|2.761905|2.598404|2.887278|3.628020|2.543393|2.161851|0.057916|0.060067|0.056658|0.064988|0.083267|0.126687|0.080347|0.154240|0.235122|0.500000| |1.696100|1.950513|2.021569|2.332187|2.673535|2.524748|2.142162|24.601308|6.827276|5.711809|5.351223|4.641286|7.334719|13.580323|12.544962|17.668989|8.804818|5.638724|4.176754|3.925630|4.658651|7.013312|3.013804|3.793493|0.084230|2.321962|2.154558|2.264996|2.644138|3.366530|2.794691|2.457531|2.465729|2.839951|3.405024|2.686380|2.112821|0.044989|0.046264|0.044988|0.051587|0.065119|0.075772|0.056431|0.114079|0.117336|0.180174|0.500000| |1.724435|1.980212|2.012275|2.298846|2.689926|2.625613|2.218825|24.272991|7.325811|5.498776|4.871797|4.217971|5.793017|9.018254|12.515188|17.609664|8.825746|7.104008|4.691452|3.941353|4.179834|5.612524|3.022187|3.821389|0.082844|2.307663|2.167094|2.358723|2.797250|2.955231|2.516513|2.192528|2.151832|2.412815|2.869395|2.259258|1.859697|0.046144|0.047251|0.045172|0.050909|0.062880|0.081207|0.059271|0.100867|0.117149|0.220298|0.302142|0.500000| |1.801119|2.078590|2.121802|2.438867|2.860448|2.769329|2.327022|25.946761|8.281896|6.171202|4.569783|3.526924|4.184837|6.527433|7.596241|6.975310|8.906328|17.709028|8.947462|5.650520|4.966399|5.650457|4.105661|5.006597|0.103706|2.859982|2.635183|2.999469|3.846617|2.760267|2.349008|2.051339|2.018612|2.267127|2.691899|2.139365|1.752314|0.049088|0.048663|0.046800|0.053561|0.066775|0.085306|0.061777|0.082782|0.100611|0.168781|0.143829|0.214760|0.500000| |1.838908|2.120291|2.213711|2.556758|2.895848|2.705930|2.307707|25.722072|7.616623|6.819713|4.183762|2.933405|3.217197|5.244216|5.036612|4.106378|5.639231|8.941405|17.700560|8.887115|5.645272|4.955074|6.935781|7.616352|0.140517|4.013389|3.480346|4.073659|6.033512|2.628970|2.245704|1.993783|1.989622|2.246528|2.628055|2.156664|1.741521|0.050940|0.048703|0.047980|0.056523|0.071516|0.079722|0.060279|0.070091|0.082046|0.110238|0.096473|0.111644|0.216835|0.500000| |1.808959|2.102332|2.330751|2.798331|2.978464|2.548535|2.181465|28.302498|6.736032|8.675449|5.294291|3.407079|3.903065|7.305096|5.130912|4.115071|5.644648|4.965129|5.648929|8.891479|17.692708|8.955707|7.069840|7.645113|0.176360|4.451381|3.531257|3.350826|4.122529|3.708508|2.942367|2.697188|2.913715|3.666228|4.369951|3.794542|2.493361|0.048716|0.047400|0.048803|0.061063|0.084864|0.070891|0.055193|0.083785|0.084760|0.098690|0.110683|0.096365|0.107719|0.123935|0.500000| |1.769687|2.057192|2.218584|2.637677|2.930604|2.594804|2.193102|28.473030|7.158344|7.407955|6.114948|4.436318|6.148961|12.968211|7.906798|7.012867|8.914440|5.658340|4.958881|5.640959|8.939406|17.751506|4.126202|5.002607|0.115448|3.000077|2.651420|2.668074|3.173277|4.083604|3.173464|2.834121|2.994760|3.737901|4.650966|3.684817|2.517043|0.047010|0.047282|0.047474|0.057238|0.076981|0.074562|0.056235|0.108119|0.105382|0.133913|0.210638|0.142781|0.124211|0.107605|0.216372|0.500000| |1.797043|2.063684|2.285970|2.684566|2.784962|2.414746|2.113593|24.442208|5.950139|7.730129|4.132079|2.654742|2.833133|5.008433|3.887619|3.035760|3.964136|4.194782|5.626508|8.880243|7.219465|4.744137|17.625275|12.409475|0.212458|7.375366|4.731504|4.304299|5.581406|2.875446|2.425083|2.247162|2.368905|2.790398|3.155730|2.847922|2.094038|0.049464|0.046582|0.048353|0.060576|0.081142|0.066440|0.053657|0.065859|0.069643|0.079356|0.078974|0.076436|0.096567|0.142034|0.219529|0.112728|0.500000| |1.799066|2.057082|2.224301|2.569880|2.730265|2.444007|2.141808|23.403778|6.084756|6.972048|3.810899|2.519104|2.669148|4.562884|3.825035|3.000359|3.912512|4.630983|6.953733|8.768295|5.643961|4.176371|17.622964|12.374709|0.181679|6.655628|4.691937|4.859096|7.170289|2.554945|2.196862|2.007989|2.057678|2.348057|2.667426|2.327254|1.825786|0.050134|0.046814|0.047782|0.058324|0.075040|0.068415|0.055017|0.061953|0.068256|0.080521|0.075747|0.078258|0.110008|0.206926|0.144396|0.096497|0.301547|0.500000| |2.081787|2.400693|2.775697|3.274448|3.160354|2.641705|2.360691|25.700182|5.758787|8.766795|4.177980|2.553647|2.540635|4.445517|3.354059|2.451759|2.947375|3.041514|3.692620|4.719215|4.345589|3.374124|6.721992|12.265408|0.226800|17.635769|8.631343|5.640789|5.742484|3.041454|2.644968|2.489259|2.617361|3.005375|3.293280|3.000521|2.323778|0.057620|0.052663|0.056697|0.075378|0.104026|0.069550|0.058679|0.064430|0.067325|0.069656|0.064167|0.062108|0.074036|0.098433|0.133854|0.085847|0.212721|0.156776|0.500000| |1.984263|2.255730|2.518517|2.877957|2.859689|2.495782|2.252139|22.670102|5.431105|7.139864|3.616255|2.296231|2.299878|3.953348|3.145281|2.330547|2.808775|3.061837|3.864870|4.631688|3.849693|3.053190|7.164085|12.419869|0.181566|17.597865|8.743034|6.656694|7.013192|2.536607|2.246290|2.093768|2.149678|2.403799|2.643505|2.375993|1.930804|0.055943|0.050484|0.053355|0.067809|0.086738|0.066884|0.056943|0.057681|0.062151|0.066438|0.060158|0.060504|0.076152|0.110536|0.109916|0.075837|0.196851|0.204094|0.300131|0.500000| |2.793791|3.341355|4.087598|4.967904|4.441312|3.532748|3.175683|32.158870|6.777875|11.122676|4.767443|2.806121|2.609387|4.405973|3.408634|2.361881|2.714831|2.811806|3.244344|3.726154|3.455173|2.942123|4.491068|9.245901|0.199686|8.875746|17.601050|8.764858|6.209069|3.429751|3.086462|2.825483|2.813883|3.069954|3.416942|2.831830|2.446740|0.077869|0.068223|0.075499|0.110407|0.162503|0.088274|0.076112|0.070609|0.075790|0.072921|0.060917|0.060266|0.070719|0.088238|0.098954|0.075691|0.119844|0.111347|0.218935|0.173971|0.500000| |2.452345|2.787491|3.208951|3.571041|3.312149|2.857673|2.664872|23.634223|5.406704|7.331903|3.665032|2.279340|2.170205|3.682616|2.908017|2.064191|2.367876|2.519009|2.952496|3.300992|2.950451|2.515886|4.160764|7.847135|0.144383|8.799238|17.615896|8.647616|5.752126|2.615205|2.406623|2.248373|2.251018|2.421126|2.623269|2.309508|2.026073|0.070399|0.060551|0.066251|0.088455|0.108385|0.073423|0.066162|0.057952|0.062504|0.062249|0.053382|0.053762|0.064528|0.083750|0.083757|0.064416|0.111593|0.112153|0.194324|0.217736|0.302371|0.500000| |3.162536|3.899812|4.360751|5.183106|5.372818|4.590105|3.992080|36.636092|8.686878|10.594285|4.901882|3.003838|2.747150|4.429022|3.748477|2.547403|2.898219|3.161615|3.627491|3.768466|3.292747|2.928559|4.232423|8.406859|0.171745|5.836834|8.740056|17.633571|8.759678|3.207941|2.904453|2.541473|2.421941|2.592519|2.984113|2.338200|2.092264|0.090458|0.077692|0.080719|0.108170|0.141129|0.116885|0.095895|0.073567|0.085664|0.084003|0.063644|0.066429|0.082189|0.103398|0.087445|0.073313|0.102421|0.111095|0.129939|0.136845|0.227198|0.186715|0.500000| |2.570093|2.960135|3.194973|3.544945|3.604621|3.284185|3.001503|25.714229|6.428829|7.363911|3.787273|2.425544|2.309284|3.796121|3.213397|2.270754|2.610603|2.926507|3.477973|3.582537|3.012569|2.630510|4.307987|8.055291|0.142139|6.224302|8.708140|17.608824|8.820057|2.538995|2.319002|2.094058|2.040266|2.187707|2.449246|2.045121|1.811337|0.075029|0.064375|0.066655|0.083234|0.098938|0.087189|0.075772|0.060361|0.068815|0.071016|0.057175|0.060258|0.076926|0.104560|0.080389|0.065524|0.104170|0.123030|0.129787|0.167880|0.177208|0.222410|0.303161|0.500000| |2.139589|2.477698|2.646716|3.047300|3.295053|2.994461|2.612181|26.844520|7.212286|7.763787|4.020732|2.630390|2.641719|4.337673|3.809841|2.811526|3.449705|4.167549|5.637068|5.646162|4.124887|3.430057|7.274455|12.393083|0.183836|6.799735|6.154924|8.717811|17.627869|2.616699|2.294645|2.055175|2.037445|2.256785|2.587039|2.145788|1.793475|0.060627|0.055125|0.055737|0.068139|0.086119|0.083649|0.066830|0.064053|0.073878|0.084078|0.069346|0.074615|0.106329|0.185740|0.104324|0.081197|0.149895|0.232647|0.139269|0.194821|0.135383|0.141941|0.177815|0.227830|0.500000| |2.463984|2.977054|3.189467|3.867850|4.507259|3.981378|3.251797|40.055394|11.526595|11.324765|5.390004|3.435475|3.373806|5.327681|4.889151|3.441388|4.246017|5.103160|6.519829|6.276766|4.770572|4.116370|6.507386|12.279080|0.236947|5.804290|5.794108|8.607499|17.685833|3.297070|2.809616|2.423448|2.355840|2.626746|3.143753|2.409923|2.014808|0.068579|0.063445|0.063293|0.079111|0.106926|0.112963|0.081380|0.080573|0.097685|0.111876|0.082311|0.089320|0.127519|0.189780|0.115635|0.095808|0.135990|0.167193|0.129165|0.141583|0.144803|0.125562|0.222622|0.184801|0.300460|0.500000| |3.439637|4.342606|4.875796|5.761961|5.899031|5.030997|4.411320|38.049162|7.363298|7.848841|9.717242|5.905505|4.149982|6.880654|4.587792|2.752019|2.676751|2.450852|2.364300|2.468072|2.660211|2.779396|2.325648|3.551479|0.083536|2.421074|2.580368|2.597172|2.555028|8.913236|17.721276|8.901951|5.619584|4.926482|5.646490|3.542242|4.096588|0.081978|0.091857|0.094413|0.119144|0.152413|0.123969|0.104188|0.186212|0.148124|0.094517|0.073957|0.068573|0.064109|0.060605|0.073469|0.079693|0.062459|0.058056|0.067953|0.059266|0.081461|0.064534|0.080640|0.063906|0.062229|0.076635|0.500000| |2.811099|3.215112|3.696967|3.988073|3.627985|3.170035|3.021517|24.486378|5.002107|5.840686|5.673953|3.629551|3.015470|5.435436|3.428281|2.198048|2.170858|1.987565|1.952175|2.083529|2.271579|2.324170|2.014405|3.016175|0.069479|2.147826|2.254184|2.164001|2.104969|5.673769|8.955595|17.718482|8.935181|5.637544|4.979160|4.083484|7.063161|0.068472|0.074626|0.082033|0.101972|0.117237|0.079681|0.074466|0.113295|0.090535|0.068641|0.060949|0.055231|0.051783|0.050333|0.065097|0.068107|0.055822|0.050596|0.062124|0.053180|0.071198|0.057938|0.064965|0.054119|0.052284|0.060820|0.215883|0.500000| |2.194657|2.625993|3.010485|3.789140|3.982877|3.209335|2.696107|39.143816|7.751812|11.023825|9.839961|5.395353|5.526977|11.127702|5.817969|3.883918|4.231589|3.512260|3.461468|4.069432|5.227477|5.387216|3.625665|5.188630|0.130883|3.342759|3.130215|2.972053|3.230676|8.983366|5.672035|4.982750|5.633687|8.915075|17.758495|7.040015|4.080620|0.056957|0.057489|0.059952|0.078047|0.118783|0.086353|0.066358|0.138486|0.117994|0.108906|0.108211|0.088667|0.083813|0.082182|0.158760|0.169873|0.102093|0.083680|0.100000|0.079571|0.096994|0.075093|0.084837|0.070689|0.078002|0.094993|0.124586|0.108033|0.500000| |1.780457|2.007787|2.266881|2.584183|2.516175|2.177603|1.979219|20.312793|4.376593|5.459674|4.621522|3.027149|3.058680|6.295727|3.493214|2.456995|2.530589|2.211504|2.194590|2.483518|2.946010|2.983674|2.370936|3.291928|0.075484|2.337294|2.220013|2.046191|2.116056|4.302484|3.964284|4.584844|6.673467|8.826329|5.905173|17.553987|6.517745|0.046263|0.047125|0.050252|0.062207|0.080117|0.058055|0.050084|0.087493|0.072084|0.066007|0.071921|0.059956|0.055467|0.054843|0.091741|0.094371|0.069709|0.058131|0.071576|0.058449|0.067766|0.056697|0.057632|0.051009|0.053604|0.059706|0.090316|0.107830|0.153229|0.500000| |1.844707|2.115087|2.413131|2.840140|2.800062|2.365425|2.103214|23.879870|5.085660|6.802632|5.297743|3.322471|3.456829|7.117109|3.968547|2.839888|3.066100|2.650159|2.679718|3.166207|3.932574|3.835178|3.012807|4.141035|0.097056|2.896028|2.655640|2.412123|2.550003|4.786081|3.979072|4.182008|5.553305|8.856137|7.339879|17.587568|4.730220|0.048334|0.048401|0.051481|0.065447|0.089755|0.063228|0.052779|0.091318|0.078445|0.074849|0.082212|0.067968|0.064731|0.065698|0.129992|0.122250|0.090463|0.071675|0.090817|0.071171|0.081133|0.066438|0.067001|0.059136|0.063920|0.071561|0.090579|0.096025|0.226169|0.302426|0.500000| |1.902363|2.153509|2.500207|2.874373|2.696681|2.277691|2.079933|21.437333|4.498937|6.093452|4.600403|2.859661|2.811656|5.516370|3.287389|2.310469|2.459709|2.209593|2.261915|2.616931|3.040331|2.913309|2.601153|3.709208|0.085533|2.726653|2.591769|2.301122|2.332928|4.290475|3.951869|4.570018|6.657771|8.815109|5.889934|17.542534|6.505185|0.049688|0.049545|0.054069|0.069796|0.092722|0.059623|0.052008|0.080168|0.069395|0.063614|0.065769|0.056751|0.055123|0.056983|0.097088|0.088305|0.077771|0.063274|0.086074|0.067123|0.080790|0.066274|0.064401|0.056876|0.058524|0.064490|0.090025|0.107476|0.152479|0.302719|0.301716|0.500000| |1.910359|2.116036|2.386478|2.615168|2.466269|2.172249|2.037849|18.448482|3.951944|4.752888|4.177150|2.772393|2.616780|5.109316|3.013560|2.053761|2.060133|1.850822|1.829917|2.005508|2.263215|2.300432|1.943879|2.780621|0.063088|2.008377|1.995293|1.857292|1.858859|3.969705|4.300253|5.907131|8.833423|6.669230|4.584299|6.509878|17.550211|0.048872|0.050808|0.055062|0.066855|0.079882|0.056952|0.051672|0.083475|0.067774|0.058286|0.059063|0.051297|0.047557|0.046731|0.067606|0.069959|0.055866|0.048673|0.060157|0.050480|0.061530|0.051808|0.053384|0.046818|0.047113|0.052587|0.099720|0.153691|0.107708|0.212115|0.133261|0.173377|0.500000| 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