Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCC(CC1)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4c(c3)c(=O)n(c(=O)n4C)C C09636371 RHF 6-31G(d) (6D,7F) CC1CCC(CC1)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4c(c3)c(=O)n(c(=O)n4C)C C01[X(C26H32N4O5S1)] 198 C1 608 CC1CCC(CC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(c(=O)n2C)C)Cc1ccccc1 CC1CCC(CC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(c(=O)n2C)C)Cc1ccccc1 CC1CCC(CC1)NC(=O)[C@@H](Cc2ccccc2)N[S](=O)(=O)c3ccc4N(C)C(=O)N(C)C(=O)c4c3 InChIKey=SSVNCOROLVPGMB-RKOYOZNISA-N InChI=1S/C26H32N4O5S/c1-17-9-11-19(12-10-17)27-24(31)22(15-18-7-5-4-6-8-18)28-36(34,35)20-13-14-23-21(16-20)25(32)30(3)26(33)29(23)2/h4-8,13-14,16-17,19,22,28H,9-12,15H2,1-3H3,(H,27,31)/t17?,19?,22-/m1/s1 InChI=1/C26H32N4O5S/c1-17-9-11-19(12-10-17)27-24(31)22(15-18-7-5-4-6-8-18)28-36(34,35)20-13-14-23-21(16-20)25(32)30(3)26(33)29(23)2/h4-8,13-14,16-17,19,22,28H,9-12,15H2,1-3H3,(H,27,31)/t17?,19?,22-/m1/s1/f/h27H CC1CCC(CC1)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4c(c3)c(=O)n(c(=O)n4C)C C01[X(C26H32N4O5S1)] 198 C01 608 CC1CCC(CC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(c(=O)n2C)C)Cc1ccccc1 C[C@@H]1CC[C@H](CC1)NC(=O)[C@H](N[S@](=O)(c1ccc2c(c1)c(=O)n(c(=O)n2C)C)O)Cc1ccccc1 C[C@@H]1CC[C@H](CC1)NC(=O)[C@@H](Cc2ccccc2)N[S](O)(=O)c3ccc4N(C)C(=O)N(C)C(=O)c4c3 InChIKey=VFYOXNMNGLZXPQ-TWJOJJKGSA-N InChI=1S/C28H39N5O3/c1-19(2)15-16-32(18-23(34)30-24(20(3)4)22-13-9-6-10-14-22)25-26(29)33(28(36)31-27(25)35)17-21-11-7-5-8-12-21/h5-14,19-20,24-26H,15-18,29H2,1-4H3,(H,30,34)(H,31,35,36)/t24-,25-,26-/m1/s1 InChI=1/C28H39N5O3/c1-19(2)15-16-32(18-23(34)30-24(20(3)4)22-13-9-6-10-14-22)25-26(29)33(28(36)31-27(25)35)17-21-11-7-5-8-12-21/h5-14,19-20,24-26H,15-18,29H2,1-4H3,(H,30,34)(H,31,35,36)/t24-,25-,26-/m1/s1/f/h30-31H 4216.6242883767 -1992.8658149 1-A 23119.7736 136 472 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.21338 -20.55901 -20.55600 -20.55373 -20.55128 -20.53202 -15.64354 -15.63301 -15.60294 -15.58886 -11.41304 -11.38257 -11.35280 -11.33784 -11.29737 -11.28697 -11.28437 -11.28320 -11.27838 -11.26794 -11.26577 -11.26417 -11.26171 -11.25029 -11.24871 -11.24275 -11.24201 -11.24065 -11.24017 -11.23891 -11.22403 -11.22265 -11.21903 -11.21292 -11.21093 -11.20855 -9.18520 -6.87158 -6.87118 -6.87014 -1.48291 -1.45209 -1.42027 -1.40083 -1.35717 -1.31908 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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| 7.8280 12.1991 13.8184 17.2674 28.8022 31.2169 42.0126 48.7773 61.2914 65.1938 74.5372 85.4698 102.2976 110.9568 125.9326 129.8294 151.8189 158.8299 170.5457 187.9391 219.0979 231.3116 232.8750 237.9201 253.5746 259.2201 269.4428 279.7408 290.1368 301.0428 313.2170 345.8854 367.3472 379.5583 387.0835 408.7827 426.1734 439.6582 441.7901 454.4283 456.3176 457.9425 472.8495 487.8044 489.7617 496.5687 509.0302 519.0034 547.3771 551.6657 556.0523 573.0073 586.4077 621.8670 641.5042 665.6676 677.4116 681.4997 711.2486 723.8791 750.0669 778.8469 786.9601 807.9187 813.5722 824.2537 836.8306 853.3142 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3185.8073 3193.4214 3196.4911 3221.3642 3228.4856 3233.6448 3235.3043 3236.3250 3255.2162 3259.3135 3263.9125 3266.1802 3271.3923 3281.9101 3289.2208 3298.3987 3335.9853 3343.2601 3353.1612 3364.5670 3374.8752 3385.3876 3399.7187 3404.3811 3407.8408 3436.2922 3438.2212 3756.0961 3859.1646 5.6189 4.6152 6.4028 4.7035 3.3851 4.7289 4.0964 6.2645 4.8494 5.0611 3.5954 2.7557 2.2725 4.9254 7.6726 2.3436 4.7926 4.2573 3.3170 4.3245 5.3222 3.3955 1.3626 1.6791 2.4937 1.7582 5.2907 6.4963 4.0297 3.5297 2.6803 3.9146 3.0724 2.5091 3.3768 3.5374 5.1132 4.7182 4.3857 1.9240 2.9418 4.9242 4.3261 4.1427 3.4070 5.1816 2.2010 6.1594 3.7949 2.7214 2.2896 4.6763 4.8011 4.1435 3.4939 2.8417 4.5984 6.1680 5.5834 2.5829 6.9210 2.1142 5.0624 5.0729 4.9817 2.9734 2.3328 10.7431 1.5002 2.7441 6.0596 3.3901 1.5554 2.1545 1.9638 1.3920 2.6980 1.9980 1.4639 2.1614 2.1632 2.3560 2.4282 1.4471 2.7483 5.6260 1.3968 2.5170 1.5007 3.8550 1.8578 1.3556 1.3656 2.2920 2.2166 2.1754 1.1703 1.8636 2.5104 2.3266 2.9859 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228.52 245.38 270.40 315.23 332.81 335.06 342.31 364.84 372.96 387.67 402.48 417.44 433.13 450.65 497.65 528.53 546.10 556.93 588.15 613.17 632.57 635.64 653.82 656.54 658.88 680.33 701.84 704.66 714.45 732.38 746.73 787.55 793.72 800.04 824.43 843.71 894.73 922.98 957.75 974.64 980.53 1023.33 1041.50 1079.18 1120.59 1132.26 1162.41 1170.55 1185.92 1204.01 1227.73 1239.39 1244.29 1249.44 1308.88 1328.95 1339.72 1372.57 1379.21 1393.71 1400.49 1458.29 1467.83 1487.83 1495.47 1517.00 1531.89 1558.86 1568.35 1569.46 1574.43 1581.82 1582.34 1591.76 1602.08 1616.74 1621.87 1628.97 1667.99 1679.73 1704.57 1714.61 1721.11 1726.97 1738.53 1744.46 1753.72 1778.75 1792.77 1820.49 1825.96 1827.23 1850.29 1852.18 1864.92 1874.25 1883.44 1901.91 1919.18 1960.85 1972.77 1975.96 1995.23 2001.55 2017.22 2044.04 2074.90 2089.86 2096.92 2106.37 2111.71 2113.66 2125.66 2136.50 2162.05 2165.30 2194.24 2196.23 2197.81 2204.70 2233.03 2241.93 2253.13 2290.25 2310.47 2331.33 2335.82 2341.12 2347.08 2355.60 2361.76 2365.64 2365.98 2366.78 2370.44 2377.86 2379.51 2388.44 2398.20 2405.94 2410.44 2474.62 2563.62 2568.68 2604.81 2607.37 2775.61 2790.68 2845.04 4549.98 4564.54 4575.73 4583.67 4594.62 4599.04 4634.82 4645.07 4652.49 4654.88 4656.35 4683.53 4689.43 4696.04 4699.30 4706.80 4721.94 4732.46 4745.66 4799.74 4810.21 4824.45 4840.86 4855.69 4870.82 4891.44 4898.15 4903.12 4944.06 4946.83 5404.18 5552.48 0.605112 0.637138 0.638083 0.535345 -1992.260703 -1992.228676 -1992.227732 -1992.330470 3.445849D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE CC1CCC(CC1)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4c(c3)c(=O)n(c(=O)n4C)C C09636371 RHF 6-31G(d) (6D,10F) C1 512.209342 |X|Y|Z| 128.932626 66.242492 45.913681 73.194852 28 6 7 16 23 4 1 |36.858105| |12.461224|36.858105| |7.524612|12.416694|36.858105| |4.882905|7.480924|12.441097|36.858105| |4.337822|6.395541|7.538191|12.460341|36.858105| |4.882698|7.488578|6.464394|7.550200|12.439071|36.858105| |7.516256|12.418948|7.576893|6.461808|7.536661|12.443767|36.858105| |3.288422|4.406832|5.006485|7.800158|13.059148|7.685865|4.976977|53.358707| |2.805062|3.538022|3.859000|5.176298|7.759455|5.899813|4.133045|19.295521|36.858105| |2.779994|3.410585|3.653809|4.531105|6.756954|5.556675|4.132277|11.494041|15.824365|73.516695| |2.328889|2.835532|3.054179|3.934722|4.978032|4.197502|3.172537|10.597746|12.444438|14.349321|36.858105| |2.315540|2.836518|3.046955|3.982617|4.768727|4.090720|3.094536|10.174462|8.776633|10.466926|17.617798|0.500000| |2.107210|2.497797|2.766584|3.473699|4.085176|3.356651|2.707330|7.705350|7.632366|11.231069|12.376603|0.245975|36.858105| |1.829353|2.125443|2.318114|2.819563|3.154120|2.723234|2.264304|5.566192|4.919357|7.620115|7.452405|0.192606|12.589933|36.858105| |1.773962|2.057374|2.252381|2.743272|2.939091|2.548840|2.141553|5.109713|4.132720|6.257349|5.778590|0.175287|7.552628|13.696734|36.858105| |1.578241|1.800408|1.945595|2.303292|2.430014|2.168956|1.862984|4.038900|3.207930|5.045017|4.189437|0.125548|5.010928|7.886603|13.756094|36.858105| |1.462101|1.650220|1.763822|2.049748|2.189424|1.987385|1.723924|3.565387|2.896822|4.718072|3.715207|0.105858|4.421957|6.815852|7.936548|13.746609|36.858105| |1.491495|1.683356|1.793440|2.079326|2.272049|2.064893|1.784472|3.707060|3.129296|5.221871|4.063234|0.109298|5.006477|7.892685|6.897626|7.958776|13.754496|36.858105| |1.653799|1.888275|2.025746|2.386806|2.672390|2.385336|2.025279|4.484862|3.970127|6.605629|5.463681|0.137735|7.536682|13.712392|7.977203|6.890730|7.930725|13.745331|36.858105| |2.125846|2.527720|2.616753|3.183420|3.992587|3.717804|2.889704|7.317075|7.800908|12.116154|13.052899|0.255519|7.756232|6.282446|4.809833|3.840441|3.655851|4.189286|5.557789|53.358707| |2.104023|2.495104|2.485321|2.957648|3.633252|3.686071|2.871074|6.257495|5.622406|8.830061|7.137929|0.194820|4.819188|4.406147|3.855765|3.304048|3.153092|3.431663|4.065650|15.744222|388.023441| |1.957860|2.266356|2.222006|2.548352|3.102175|3.242101|2.636425|4.974276|4.421191|7.703681|5.049401|0.130537|3.888537|3.631161|3.152607|2.815093|2.801872|3.120266|3.601848|10.592619|94.747398|73.516695| |2.409961|2.939146|2.867579|3.470155|4.335552|4.633953|3.424162|7.481446|6.034426|8.927093|6.562898|0.197443|4.317974|3.793112|3.500803|2.979246|2.750191|2.883189|3.350089|10.251196|94.446012|13.607945|73.516695| |1.842462|2.149117|2.166273|2.558073|2.942891|2.912998|2.368470|4.980204|4.141718|6.430138|5.534624|0.172062|4.328558|4.556883|4.317577|3.908960|3.727844|3.879532|4.281703|9.694897|76.877124|12.978329|13.146923|36.858105| |1.641471|1.880119|1.906406|2.210892|2.505013|2.454765|2.055641|4.123333|3.461857|5.613498|4.544592|0.132237|3.984118|4.527620|4.233053|4.102406|4.225184|4.523910|4.703920|7.984620|49.530456|10.993746|8.770128|13.649164|36.858105| |1.502513|1.703413|1.732089|1.989099|2.191591|2.140563|1.828948|3.536808|2.865345|4.656970|3.625873|0.107958|3.360557|3.964505|3.989903|4.203050|4.425457|4.400244|4.159846|5.759293|33.710584|7.695880|6.800844|7.921176|13.889362|36.858105| |1.508141|1.711983|1.739310|1.999788|2.160747|2.114977|1.813067|3.470792|2.712306|4.330899|3.359666|0.104508|3.084243|3.575298|3.842126|4.094236|4.017953|3.721274|3.531504|5.002644|29.804601|6.536039|6.564429|6.844594|7.932489|13.577515|36.858105| |1.659761|1.907934|1.930094|2.246046|2.424379|2.388643|2.017693|3.939537|3.007400|4.679214|3.710991|0.121303|3.239447|3.593900|3.907838|3.904126|3.586483|3.341468|3.346657|5.363676|33.674176|6.907920|7.925271|7.965179|6.900010|7.913940|13.699848|36.858105| |1.854754|2.168861|2.182368|2.583195|2.874894|2.856112|2.338604|4.811272|3.728336|5.664427|4.723169|0.159484|3.789537|3.996672|4.128535|3.814223|3.471715|3.392729|3.611569|7.039490|49.642657|9.037362|11.746023|13.867904|7.944765|6.847966|7.878345|13.689069|36.858105| |1.634181|1.868897|1.887067|2.177161|2.281566|2.256142|1.937173|3.620948|2.658494|4.141739|3.128792|0.102422|2.782630|3.022078|3.380801|3.411869|3.065304|2.791653|2.776740|4.304593|26.104672|5.500209|6.627243|5.109417|4.502346|5.064741|7.674391|12.955936|7.726650|36.858105| |1.756977|2.023135|2.031311|2.349635|2.430586|2.423908|2.077915|3.826563|2.724687|4.203576|3.113426|0.103268|2.718250|2.849640|3.170907|3.091142|2.733758|2.520065|2.564720|4.166969|25.368816|5.285099|6.865689|4.563626|3.828144|4.009373|5.318266|8.117661|6.797339|15.920610|73.516695| |1.467919|1.654200|1.675336|1.903394|1.971778|1.942142|1.701141|3.071859|2.263877|3.594356|2.628524|0.083415|2.429994|2.685128|3.025726|3.201588|2.945006|2.630159|2.531733|3.621888|21.179632|4.655219|5.254289|3.969788|3.820433|4.576768|6.903948|7.914119|5.175588|13.785654|15.007101|53.358707| |1.359529|1.521021|1.545417|1.745616|1.820554|1.784933|1.572176|2.830604|2.126825|3.424679|2.489831|0.077160|2.358274|2.671404|2.988167|3.294986|3.160534|2.795793|2.602499|3.496381|20.056283|4.524923|4.784721|3.789793|3.950690|5.142098|7.870512|6.787611|4.537671|7.771486|9.583133|18.787340|36.858105| |1.260044|1.397060|1.420300|1.587959|1.642032|1.609478|1.435383|2.518749|1.885189|3.066723|2.170079|0.066272|2.089256|2.356090|2.625636|2.927743|2.851543|2.518318|2.319406|3.028508|17.069175|3.923961|4.093110|3.073584|3.231483|4.066595|5.421647|4.758759|3.531222|5.407041|7.533673|11.581047|15.920224|73.516695| |1.378194|1.546698|1.573659|1.786294|1.894894|1.852729|1.618193|2.980989|2.293389|3.707041|2.751142|0.084368|2.611242|3.027725|3.323894|3.710623|3.699934|3.309295|3.027977|3.980456|22.854646|5.187217|5.212499|4.573512|5.185823|7.839150|13.781337|7.953082|5.185303|6.767391|8.442967|10.985668|13.804791|15.020228|53.358707| |1.265391|1.406768|1.433808|1.611369|1.709478|1.667678|1.472821|2.659210|2.066350|3.403043|2.452533|0.073004|2.395382|2.804593|3.016071|3.464102|3.689257|3.328483|2.926416|3.580747|19.937017|4.697959|4.473487|3.753536|4.511721|6.682280|7.729545|5.098472|3.901626|4.456831|6.191127|7.034521|7.849495|12.544989|17.759420|36.858105| |1.415030|1.581058|1.598374|1.794232|1.823855|1.801911|1.603399|2.784969|2.015547|3.219835|2.273240|0.071454|2.121584|2.300935|2.589380|2.721738|2.495806|2.235727|2.161930|3.077394|17.719334|3.949347|4.508589|3.102804|2.961945|3.385764|4.510417|5.052377|3.872876|7.755530|12.345137|17.691675|7.906033|12.835639|7.053147|3.940256|36.858105| |17.537963|8.766724|6.860575|4.521942|3.799927|4.045573|5.467554|4.075157|2.552557|4.441652|2.165341|0.060384|1.986219|1.744035|1.710298|1.530262|1.413180|1.430990|1.575348|2.677555|13.825050|3.204889|3.931078|1.734615|1.553043|1.434573|1.448987|1.593134|1.761505|1.583633|3.034794|1.947829|1.323618|2.189942|1.815021|1.225128|1.390464|0.500000| |17.542578|8.773255|5.472437|4.045220|3.799575|4.521822|6.854387|4.068782|2.603791|4.608281|2.193494|0.060709|1.970416|1.727551|1.674758|1.501055|1.398482|1.427685|1.575062|2.777722|14.629062|3.441802|4.199641|1.801619|1.605830|1.471244|1.477697|1.626213|1.815495|1.603800|3.068372|1.962834|1.335131|2.201947|1.840112|1.241702|1.392708|0.301583|0.500000| |17.526403|8.777131|6.796220|4.515992|4.164242|4.514634|6.791240|4.300575|2.760101|4.984814|2.277279|0.061944|2.088899|1.805254|1.734740|1.543484|1.438379|1.476669|1.641822|2.839460|14.464795|3.398174|4.068750|1.773189|1.594018|1.456628|1.450661|1.582074|1.764494|1.545932|2.926552|1.898971|1.302135|2.149840|1.805862|1.226117|1.340201|0.301478|0.301577|0.500000| |8.925996|17.471452|8.920430|6.851806|5.708203|6.862940|8.920641|5.804209|3.385740|5.630842|2.796511|0.079657|2.435649|2.103525|2.065433|1.815809|1.654994|1.673075|1.862925|3.401286|17.956872|4.036606|5.394799|2.206556|1.913029|1.742509|1.771746|1.997396|2.268778|1.981722|3.868636|2.375225|1.588041|2.588647|2.180720|1.445955|1.677947|0.213273|0.213399|0.173563|0.500000| |6.891829|8.808465|17.529909|8.844344|5.499181|4.844928|5.505224|5.649790|3.287387|5.489515|2.723859|0.076637|2.520033|2.160359|2.135738|1.865104|1.685498|1.696289|1.892799|3.192015|15.932048|3.569191|4.548792|2.003462|1.776977|1.635060|1.655502|1.833956|2.042381|1.817011|3.489749|2.213875|1.497798|2.460765|2.058746|1.379693|1.568262|0.206259|0.140880|0.168575|0.214997|0.500000| |6.944429|8.850465|17.488258|8.855843|6.790396|5.672877|6.819083|6.273700|3.754050|6.601678|2.946341|0.079612|2.734067|2.275457|2.180252|1.886293|1.725885|1.770568|2.007272|3.462965|16.855059|3.824540|4.740693|2.055542|1.832800|1.662890|1.653172|1.811395|2.039447|1.755653|3.318184|2.137586|1.463397|2.399156|2.040192|1.377853|1.493899|0.172110|0.141083|0.205848|0.174372|0.303559|0.500000| |4.505282|6.744528|8.850583|17.474346|8.859982|6.802732|5.672561|9.716786|4.751089|7.125431|3.853479|0.113837|3.336118|2.787571|2.784230|2.351458|2.070025|2.069826|2.347970|4.265159|21.393075|4.536320|6.444289|2.660870|2.269193|2.056749|2.102160|2.402062|2.762566|2.367746|4.632252|2.791811|1.854016|2.987861|2.556384|1.675176|1.944727|0.119614|0.107549|0.110775|0.202158|0.215211|0.173739|0.500000| |4.061632|5.464765|8.801333|17.541495|8.851240|5.503142|4.847010|9.701694|5.023839|7.810009|3.949931|0.110403|3.689457|2.978395|2.917448|2.427177|2.141052|2.163212|2.489687|4.243328|19.945117|4.296220|5.645889|2.478192|2.174074|1.970219|1.977284|2.197965|2.493795|2.128725|4.043389|2.556214|1.733879|2.813736|2.417441|1.610619|1.770748|0.108470|0.094566|0.108485|0.140230|0.212244|0.214741|0.302738|0.500000| |4.171438|5.655667|6.820801|8.894343|17.606545|8.894198|6.828552|12.689765|7.411947|13.554161|4.689969|0.118197|4.078751|3.100472|2.820771|2.341871|2.140436|2.253168|2.670249|5.237105|23.972288|5.288337|6.764763|2.724596|2.378004|2.080320|2.022674|2.224447|2.604141|2.077390|3.873888|2.476981|1.702963|2.747182|2.427823|1.630238|1.682665|0.100857|0.100873|0.117872|0.132422|0.140031|0.200886|0.174259|0.215799|0.500000| |4.501983|6.745244|5.678158|6.809631|8.869435|17.498427|8.830958|9.611868|5.328999|8.372451|4.116387|0.117411|3.230655|2.692519|2.575378|2.204575|2.004229|2.056155|2.348089|4.997294|27.303407|5.861771|9.130010|3.092579|2.551019|2.235248|2.244922|2.589108|3.124832|2.476272|4.824763|2.862181|1.904181|3.036319|2.668209|1.742371|1.955468|0.107516|0.119479|0.110695|0.202313|0.127027|0.131392|0.200859|0.139836|0.174467|0.500000| |4.059509|5.468620|4.849832|5.510124|8.861428|17.573440|8.800399|9.527262|6.334218|11.469340|4.443740|0.115786|3.466146|2.796806|2.557247|2.180800|2.026312|2.137389|2.488919|5.648190|29.549024|6.658413|9.220561|3.110927|2.618652|2.242579|2.179163|2.441004|2.957152|2.259688|4.254824|2.645193|1.801622|2.880114|2.575553|1.710471|1.784067|0.094544|0.108397|0.108391|0.140420|0.106776|0.127065|0.139866|0.123732|0.216214|0.303268|0.500000| |6.935190|8.849123|6.818823|5.674739|6.790999|8.847334|17.485135|6.242087|4.018729|7.554172|3.057881|0.080772|2.674606|2.222443|2.075075|1.807550|1.686898|1.761698|2.007011|3.820402|19.319684|4.521191|5.550725|2.235121|1.971265|1.752485|1.719362|1.886926|2.171865|1.797837|3.385372|2.167925|1.487223|2.423330|2.095039|1.414133|1.498251|0.140940|0.171913|0.205587|0.174348|0.139739|0.201038|0.131345|0.127093|0.201223|0.173466|0.214385|0.500000| |6.885446|8.813625|5.506253|4.842255|5.497007|8.844040|17.533891|5.609337|3.583534|6.406293|2.869652|0.078310|2.444175|2.086891|1.980131|1.744878|1.626935|1.683156|1.891875|3.677171|19.722220|4.621095|5.899962|2.295611|1.995766|1.780358|1.767748|1.966866|2.273154|1.894845|3.619357|2.269149|1.539809|2.503198|2.152620|1.440280|1.576141|0.140763|0.206025|0.168517|0.215030|0.123291|0.139784|0.126872|0.106707|0.140166|0.214440|0.212084|0.303636|0.500000| |3.127382|4.167444|4.640430|7.172003|9.059284|6.629982|4.483431|26.031109|9.512169|10.929786|7.458422|0.238277|5.337794|4.113483|3.970502|3.134088|2.706359|2.748198|3.263239|7.055479|33.598068|6.435066|10.566396|3.944751|3.177550|2.751562|2.763551|3.226471|3.986249|3.002600|5.753395|3.402135|2.262596|3.550236|3.213770|2.070472|2.262858|0.080572|0.079794|0.081646|0.118137|0.111584|0.114017|0.214657|0.181835|0.181048|0.195824|0.163596|0.110844|0.106791|0.500000| |2.213236|2.638111|3.021276|3.885963|4.393491|3.425629|2.790680|8.260104|7.217121|10.396161|8.912091|0.211229|17.538816|8.905248|7.039710|4.703060|3.985008|4.248620|5.738974|7.686055|28.426164|5.826799|6.819131|3.658672|3.340814|2.926861|2.777658|2.954430|3.383323|2.631361|4.652889|3.151073|2.223949|3.536162|3.276478|2.205353|2.059436|0.058377|0.056746|0.060970|0.071167|0.076920|0.083055|0.102524|0.119967|0.122096|0.091050|0.094928|0.076584|0.068877|0.158404|0.500000| |2.066567|2.417384|2.662189|3.243517|3.877023|3.231324|2.656498|6.828640|7.023213|12.218891|8.899003|0.174640|17.582746|8.868979|5.620846|4.192290|3.969800|4.740129|7.198393|9.733206|31.505153|6.800705|6.923910|3.826136|3.643191|3.067661|2.762489|2.842819|3.286425|2.453365|4.252081|2.960489|2.134926|3.399492|3.224719|2.218264|1.914484|0.053808|0.053760|0.057659|0.064496|0.066957|0.074693|0.084448|0.095255|0.112791|0.084230|0.094688|0.074533|0.066747|0.125041|0.304054|0.500000| |1.895236|2.221044|2.465291|3.068038|3.207955|2.727178|2.278422|5.661536|4.331144|6.333461|5.803541|0.189943|7.009204|8.903055|17.686129|8.940793|5.650015|4.962463|5.657415|6.109229|26.450381|5.316995|6.347514|4.066534|3.771796|3.560400|3.587676|3.839646|4.100674|3.465074|5.973032|4.158936|2.918710|4.564602|4.265342|2.782249|2.663874|0.050995|0.049386|0.051138|0.062352|0.065302|0.065510|0.087833|0.091783|0.083879|0.077249|0.074453|0.060736|0.058049|0.126441|0.207454|0.142119|0.500000| |1.531488|1.739659|1.879384|2.210905|2.282958|2.049606|1.777645|3.730867|2.868621|4.508064|3.594289|0.110245|4.091617|5.626577|8.925801|17.711620|8.907805|5.651716|4.960809|4.464141|20.955463|4.489631|4.870425|3.509261|3.614880|3.841206|3.974810|3.835849|3.599875|3.526058|5.686425|4.629593|3.488411|5.581403|5.139793|3.490848|2.937455|0.041533|0.040491|0.041425|0.049087|0.050577|0.050317|0.063441|0.064752|0.060646|0.058375|0.056646|0.047666|0.046383|0.081529|0.111393|0.096548|0.216236|0.500000| |1.355343|1.516344|1.611607|1.848351|1.954609|1.795085|1.576182|3.119725|2.494860|4.108950|3.086868|0.088320|3.538543|4.921849|5.642830|8.904010|17.711477|8.904142|5.639624|4.191357|19.636006|4.459398|4.336770|3.282392|3.766548|4.154906|3.851927|3.340806|3.123117|2.923515|4.595247|3.961322|3.219640|5.294356|5.111173|3.936029|2.488983|0.036523|0.036140|0.037027|0.042349|0.043042|0.043808|0.052015|0.053442|0.053093|0.050437|0.050740|0.042846|0.041571|0.065860|0.090705|0.090394|0.124230|0.214508|0.500000| |1.397585|1.562670|1.652133|1.887089|2.061613|1.899425|1.660644|3.292081|2.769912|4.737822|3.454191|0.091910|4.087039|5.630078|4.964186|5.651640|8.911780|17.709017|8.925071|5.014068|22.131511|5.242928|4.639549|3.471693|4.162537|4.119479|3.417012|3.006687|3.022469|2.532221|4.059501|3.299957|2.617382|4.255921|4.233075|3.255006|2.077169|0.037236|0.037321|0.038564|0.043050|0.043453|0.045522|0.052001|0.054234|0.057194|0.052378|0.054918|0.045767|0.043792|0.067255|0.098000|0.112733|0.107675|0.124122|0.214528|0.500000| |1.658390|1.885077|2.009974|2.342478|2.669442|2.402861|2.048148|4.406409|4.018310|7.032315|5.276476|0.125465|6.992137|8.920039|5.660755|4.960732|5.647468|8.930654|17.711008|7.841916|29.037861|6.741424|5.874752|4.021387|4.422604|3.788313|3.168173|3.014838|3.309310|2.513475|4.166422|3.120369|2.352423|3.754234|3.709020|2.661842|1.975595|0.043621|0.043964|0.046047|0.051219|0.051787|0.055868|0.063171|0.067417|0.075441|0.064816|0.070744|0.056989|0.053244|0.086764|0.146207|0.218577|0.124216|0.107649|0.124161|0.215960|0.500000| |2.134113|2.513386|2.586384|3.078610|3.932922|3.710314|2.927768|6.806841|7.482035|13.924162|9.240541|0.181515|6.752111|5.320362|4.055865|3.338998|3.270113|3.831097|5.049266|25.805838|61.812346|13.778540|11.070196|5.468442|4.875665|3.652271|3.159067|3.310673|4.152466|2.730298|4.722086|3.197031|2.288171|3.578199|3.521575|2.381231|2.027868|0.054449|0.057011|0.058850|0.067937|0.063897|0.071057|0.082234|0.083532|0.109558|0.098447|0.118786|0.080723|0.076168|0.126927|0.141810|0.201004|0.105183|0.079955|0.077797|0.096830|0.157457|0.500000| |1.610838|1.834302|1.860428|2.140547|2.451669|2.400791|2.023259|3.993653|3.447262|5.785786|4.458694|0.121595|4.023646|4.517124|3.970765|3.822877|4.116875|4.742768|5.035708|8.343889|47.344612|12.032725|8.052113|8.896296|17.750662|8.994614|5.646276|4.968628|5.658226|3.591431|5.616880|4.297595|3.298031|4.983712|5.706473|3.931411|2.544643|0.042180|0.043778|0.043793|0.051303|0.047965|0.050207|0.060114|0.058617|0.065799|0.068059|0.072096|0.054548|0.054552|0.083209|0.091976|0.106644|0.096645|0.091941|0.101757|0.126028|0.139588|0.150142|0.500000| |1.397333|1.569098|1.598125|1.816062|1.989972|1.939717|1.680159|3.163013|2.566731|4.255294|3.177863|0.092039|3.060590|3.649374|3.635304|3.973853|4.467128|4.506711|4.031046|5.008822|27.958835|6.726756|5.713613|5.656582|9.026574|17.806024|8.825470|5.627686|4.946133|4.108952|5.942210|5.397208|4.685540|6.978791|9.643346|7.571092|3.054518|0.037135|0.038027|0.037817|0.044357|0.042041|0.042918|0.051766|0.050235|0.053079|0.055710|0.056466|0.045073|0.045482|0.067430|0.074508|0.079425|0.088888|0.100967|0.121585|0.123512|0.103358|0.091459|0.218502|0.500000| |2.023728|2.398895|2.393352|2.859808|3.170919|3.199016|2.580399|5.306839|3.929846|5.846837|4.729694|0.165106|3.666870|3.672741|3.810388|3.427519|3.057093|2.983996|3.229364|6.630831|46.925261|8.403485|13.614123|8.917397|5.637990|4.943660|5.636964|8.948921|17.774310|7.199730|13.586643|6.466856|3.962792|5.660135|5.733414|3.270807|3.791023|0.053323|0.055075|0.052908|0.070749|0.062096|0.061201|0.086827|0.075431|0.077809|0.100369|0.090697|0.065393|0.069762|0.126597|0.093580|0.088079|0.109998|0.091380|0.076638|0.074024|0.083119|0.110299|0.124079|0.107486|0.500000| |1.201601|1.328332|1.353849|1.511426|1.586879|1.549150|1.380569|2.442704|1.876591|3.098922|2.189140|0.065135|2.151253|2.488324|2.700371|3.105188|3.260091|2.911303|2.570847|3.142600|17.385054|4.108572|3.988396|3.148355|3.612928|4.880105|5.715037|4.270903|3.332195|4.053644|5.774342|6.794085|7.809803|15.396233|12.555533|17.740439|4.054203|0.032453|0.032779|0.032322|0.037994|0.036393|0.036130|0.043728|0.042028|0.042058|0.044986|0.043879|0.036820|0.037557|0.052839|0.055821|0.055529|0.070297|0.089205|0.098280|0.079408|0.065263|0.058570|0.089406|0.147747|0.080332|0.500000| |1.268338|1.411436|1.449960|1.635785|1.738073|1.676361|1.477861|2.720449|2.133759|3.519042|2.564891|0.075727|2.568303|3.099065|3.349123|4.007755|4.480719|3.942628|3.311809|3.731326|20.074368|4.710132|4.439902|3.737902|4.620401|6.753955|6.892178|4.680459|3.752107|3.999131|5.703799|6.013495|6.063395|9.832335|12.370722|17.597507|3.466742|0.034105|0.034426|0.034265|0.040087|0.038723|0.038871|0.046961|0.045752|0.046305|0.048286|0.047782|0.039603|0.039913|0.058518|0.065335|0.066088|0.083624|0.110928|0.137895|0.107812|0.082361|0.068914|0.114601|0.229312|0.087330|0.300710|0.500000| |1.243306|1.377903|1.394761|1.558384|1.665766|1.640670|1.452540|2.574751|2.014660|3.353408|2.370379|0.069586|2.292768|2.638541|2.749874|3.068374|3.312861|3.129399|2.794437|3.539554|20.035782|4.863104|4.442180|3.725617|4.604573|6.731504|6.870569|4.668391|3.742756|3.990285|5.687168|6.014096|6.072284|9.861940|12.361922|17.597627|3.469163|0.033331|0.034021|0.033521|0.039260|0.037155|0.037326|0.044814|0.043045|0.044283|0.047506|0.047100|0.038828|0.039656|0.055267|0.058237|0.059762|0.070405|0.083944|0.096612|0.086902|0.072226|0.066139|0.114277|0.228868|0.087200|0.300872|0.299348|0.500000| |1.368484|1.524129|1.555190|1.744744|1.758239|1.716953|1.535154|2.681728|1.938609|3.101178|2.186819|0.068467|2.082282|2.281139|2.609297|2.795621|2.546667|2.240494|2.142344|2.924058|16.407305|3.660647|4.146977|2.832763|2.745513|3.141898|4.064551|4.357538|3.432563|6.045057|9.782345|12.375318|7.067463|12.844325|6.494051|3.813107|17.639135|0.037512|0.037253|0.036102|0.044765|0.042606|0.040497|0.052376|0.048283|0.045269|0.051377|0.047028|0.040017|0.041700|0.060321|0.056618|0.052165|0.074778|0.085903|0.071408|0.057737|0.054023|0.053698|0.066372|0.080274|0.092914|0.111945|0.095726|0.091245|0.500000| 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