Version2.4 2021-05-31T05:03:33Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 19-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cccc(c1O)[C@@H]2CC(=N[C@H]([NH2+]2)c3ccc(cc3)C(=O)OC)c4cccc(c4)Br C09542637 RHF 6-31G(d) (6D,7F) CCOc1cccc(c1O)[C@@H]2CC(=N[C@H]([NH2+]2)c3ccc(cc3)C(=O)OC)c4cccc(c4)Br C01[X(C26H26Br1N2O4)] 171 C1 562 CCOc1cccc(c1O)[C@@H]1CC(=N[C@H]([NH2+]1)c1ccc(cc1)C(=O)OC)c1cccc(c1)Br CCOc1cccc(c1O)[C@@H]1CC(=N[C@H]([NH2+]1)c1ccc(cc1)C(=O)OC)c1cccc(c1)Br CCOc1cccc([C@@H]2CC(=N[C@H]([NH2+]2)c3ccc(cc3)C(=O)OC)c4cccc(Br)c4)c1O InChIKey=XYMOEABBDSOVRG-WIOPSUGQSA-O InChI=1S/C26H25BrN2O4/c1-3-33-23-9-5-8-20(24(23)30)22-15-21(18-6-4-7-19(27)14-18)28-25(29-22)16-10-12-17(13-11-16)26(31)32-2/h4-14,22,25,29-30H,3,15H2,1-2H3/p+1/t22-,25+/m0/s1 InChI=1/C26H25BrN2O4/c1-3-33-23-9-5-8-20(24(23)30)22-15-21(18-6-4-7-19(27)14-18)28-25(29-22)16-10-12-17(13-11-16)26(31)32-2/h4-14,22,25,29-30H,3,15H2,1-2H3/p+1/t22-,25+/m0/s1/fC26H26BrN2O4/h29H/q+1 CCOc1cccc(c1O)[C@@H]2CC(=N[C@H]([NH2+]2)c3ccc(cc3)C(=O)OC)c4cccc(c4)Br C01[X(C26H26Br1N2O4)] 171 C01 562 CCOc1cccc(c1O)[C@@H]1CC(=N[C@H]([NH2+]1)c1ccc(cc1)C(=O)OC)c1cccc(c1)Br CCO[C]1[CH][CH][CH][C]([C]1O)[C@H]1[NH2][C@@H](N=C(C1)[C]1[CH][CH][CH][C]([CH]1)Br)[C]1[CH][CH][C]([CH][CH]1)C(=O)OC CCO[C]1[CH][CH][CH][C]([C]1O)[C@@H]2CC(=N[C@H]([NH2]2)[C]3[CH][CH][C]([CH][CH]3)C(=O)OC)[C]4[CH][CH][CH][C](Br)[CH]4 InChIKey=LQCBFASBQCHQPY-WIOPSUGQSA-N InChI=1S/C26H26BrN2O4/c1-3-33-23-9-5-8-20(24(23)30)22-15-21(18-6-4-7-19(27)14-18)28-25(29-22)16-10-12-17(13-11-16)26(31)32-2/h4-14,22,25,30H,3,15,29H2,1-2H3/t22-,25+/m0/s1 InChI=1/C26H26BrN2O4/c1-3-33-23-9-5-8-20(24(23)30)22-15-21(18-6-4-7-19(27)14-18)28-25(29-22)16-10-12-17(13-11-16)26(31)32-2/h4-14,22,25,30H,3,15,29H2,1-2H3/t22-,25+/m0/s1 3667.1399408982 -3977.7730143 1-A 25305.5562 131 431 562 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.14439 -64.55581 -58.69534 -58.69342 -58.69329 -20.72455 -20.70483 -20.68919 -20.62970 -15.82490 -15.69495 -11.46715 -11.46367 -11.44434 -11.43599 -11.42278 -11.41602 -11.38665 -11.38638 -11.38542 -11.37453 -11.37299 -11.35557 -11.35521 -11.35475 -11.35412 -11.35136 -11.35108 -11.35044 -11.35032 -11.34900 -11.34658 -11.34517 -11.34112 -11.33765 -11.33310 -11.30933 -9.80415 -7.55352 -7.54445 -7.54439 -3.29255 -3.28814 -3.28809 -3.27753 -3.27752 -1.55597 -1.55512 -1.52006 -1.48174 -1.44919 -1.38047 -1.28932 -1.27801 -1.27231 -1.22942 -1.17674 -1.16004 -1.15622 -1.14779 -1.13583 -1.13046 -1.10242 -1.08996 -1.05843 -1.04940 -1.04854 -0.99144 -0.97413 -0.95879 -0.94820 -0.93880 -0.92515 -0.92412 -0.90984 -0.88385 -0.86819 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76.8331 87.6305 102.3644 105.7616 118.4680 128.3985 151.3529 164.8888 174.8905 184.9263 201.9356 212.4464 221.2719 242.7842 271.6320 276.7475 280.6959 301.3147 305.6614 331.5704 347.3695 355.6789 363.1049 377.2829 397.1878 422.3172 435.6017 458.0516 477.8951 483.5002 504.0451 515.7952 536.6483 545.3852 583.8862 593.3956 600.8343 624.8786 632.1412 648.6582 670.6919 691.6711 696.6869 714.0375 739.4196 765.4274 777.5830 786.3630 803.2473 839.0636 844.6405 868.1441 878.9923 898.8197 902.9321 909.5301 917.4755 920.1852 941.6578 955.5898 967.9290 992.7996 1002.7928 1013.5355 1022.2166 1034.9262 1067.9722 1078.7826 1080.6837 1086.4037 1101.8143 1105.7268 1111.2171 1116.8192 1130.8041 1142.8285 1154.3021 1160.8905 1182.6601 1189.9415 1196.5955 1198.8727 1218.0156 1225.7402 1231.4832 1251.1314 1251.7119 1261.6751 1294.8262 1296.3116 1297.4234 1308.2185 1313.4078 1323.2659 1328.4332 1344.6400 1347.3874 1355.7493 1368.5427 1378.6854 1418.9491 1432.2941 1442.0704 1450.2814 1460.0466 1462.1890 1465.0220 1480.3048 1487.7956 1510.2891 1539.9519 1548.4644 1568.3684 1571.7738 1578.6489 1584.8442 1595.2025 1628.7669 1629.6087 1632.2504 1640.4575 1643.9219 1645.7227 1654.5368 1656.8221 1663.5215 1679.6577 1690.5671 1768.0361 1773.4618 1794.1618 1795.6292 1818.3103 1822.8104 1824.1743 1921.0527 2007.8169 3221.7023 3227.4885 3228.8879 3261.5226 3271.7890 3277.5169 3290.8846 3295.8847 3302.1197 3307.7228 3346.2531 3349.3680 3365.9808 3388.1725 3390.0800 3398.7595 3409.9108 3412.3186 3414.7442 3418.5951 3420.2808 3423.6261 3424.6395 3631.5957 3715.0175 4037.8756 7.8238 4.8649 4.9992 5.4670 6.2264 5.4207 4.9847 4.2628 4.7519 5.1209 3.5068 2.1259 4.4095 5.4038 2.1094 3.2434 1.8390 4.3052 4.6763 5.5857 4.4924 4.7405 3.1757 1.4234 4.7967 4.7360 5.2759 5.7756 4.9680 4.6523 4.8530 3.6812 5.5712 5.1786 4.7071 2.9366 2.3342 2.3769 1.3953 4.2219 4.7854 4.5828 5.1989 4.1061 4.2676 4.5720 4.6770 4.9231 4.5109 5.8084 5.1873 5.6665 5.8466 2.2220 4.6614 4.5942 4.4738 3.2842 3.7876 2.9208 1.9135 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57.7470 2.2719 35.4473 4.2371 69.1385 25.7592 23.5995 348.9028 332.4037 19.2226 4.8599 19.6723 39.1128 10.7511 10.4254 0.7173 25.8744 49.3890 1.4145 12.9526 20.6773 18.8029 5.4106 2.1583 4.5760 10.3856 1.7492 2.6279 2.4847 1.4700 0.4122 1.4709 138.7023 76.7488 222.5558 2.5323 1.2402 1.4584 6.6109 1.3119 1.3409 0.5798 2.8392 1.1302 0.6416 1.3582 1.6591 3.1105 0.7982 0.2940 0.6886 1.5327 0.8203 3.0754 2.0039 2.3573 2.2502 3.2488 0.8135 1.3706 1.2123 1.0187 3.1721 4.7551 1.3623 0.7731 0.3832 2.2106 1.0000 1.3755 0.0200 0.5205 0.2726 0.9256 0.5261 0.4430 0.6788 1.9806 1.1819 3.6227 0.6442 0.9208 1.1843 1.4363 6.4722 3.1968 4.6585 3.0369 0.7978 0.7129 2.2109 3.9829 5.2647 20.6472 4.4255 4.6909 6.0992 0.1761 1.3484 26.9931 7.0847 11.1937 1.1957 1.4206 3.1278 7.8993 4.0142 0.8962 1.6348 4.7459 2.3855 5.0341 42.6065 2.5506 5.1801 1.5813 0.6794 0.6581 0.3677 27.0702 4.6376 1.8257 11.7061 1.4933 3.8919 7.4716 30.2897 9.3221 12.5770 24.3878 6.7672 1.5540 4.8755 1.2416 1.0125 5.7918 10.5790 7.3506 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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 6 6 8 6 6 6 6 6 6 8 6 1 6 6 7 6 1 7 1 1 6 6 6 6 6 6 6 8 8 6 6 6 6 6 6 6 35 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 14.00307 12.00000 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 16747.7948 32842.9983 46962.7711 0.99980 0.01853 -0.00809 -0.01854 0.99983 -0.00138 0.00806 0.00153 0.99997 1 0.00517 0.00264 0.00184 0.10776 0.05495 0.03843 19.72 27.03 29.49 43.56 47.59 56.96 76.86 93.45 110.55 126.08 147.28 152.17 170.45 184.74 217.76 237.24 251.63 266.07 290.54 305.66 318.36 349.31 390.82 398.18 403.86 433.52 439.78 477.06 499.79 511.74 522.43 542.83 571.46 607.62 626.73 659.03 687.58 695.65 725.21 742.11 772.12 784.69 840.08 853.76 864.47 899.06 909.51 933.27 964.98 995.16 1002.38 1027.34 1063.86 1101.28 1118.77 1131.40 1155.69 1207.23 1215.25 1249.07 1264.67 1293.20 1299.12 1308.61 1320.04 1323.94 1354.84 1374.88 1392.63 1428.42 1442.80 1458.25 1470.74 1489.03 1536.57 1552.13 1554.86 1563.09 1585.27 1590.89 1598.79 1606.85 1626.97 1644.28 1660.78 1670.26 1701.58 1712.06 1721.63 1724.91 1752.45 1763.57 1771.83 1800.10 1800.93 1815.27 1862.97 1865.10 1866.70 1882.23 1889.70 1903.88 1911.32 1934.64 1938.59 1950.62 1969.03 1983.62 2041.55 2060.75 2074.82 2086.63 2100.68 2103.76 2107.84 2129.83 2140.61 2172.97 2215.65 2227.89 2256.53 2261.43 2271.32 2280.24 2295.14 2343.43 2344.64 2348.44 2360.25 2365.24 2367.83 2380.51 2383.80 2393.44 2416.65 2432.35 2543.81 2551.62 2581.40 2583.51 2616.14 2622.62 2624.58 2763.97 2888.80 4635.31 4643.64 4645.65 4692.60 4707.37 4715.62 4734.85 4742.04 4751.01 4759.08 4814.51 4818.99 4842.90 4874.82 4877.57 4890.06 4906.10 4909.57 4913.06 4918.60 4921.02 4925.83 4927.29 5225.06 5345.08 5809.60 0.516459 0.544902 0.545846 0.452264 -3977.256555 -3977.228112 -3977.227168 -3977.320750 3.138756D-04 MUNgauss RevisionA2.1 retrievium 31-May-2021 DUDE CCOc1cccc(c1O)[C@@H]2CC(=N[C@H]([NH2+]2)c3ccc(cc3)C(=O)OC)c4cccc(c4)Br C09542637 RHF 6-31G(d) (6D,10F) C1 509.107594 |X|Y|Z| 92.147981 126.287181 29.438424 69.971290 24 6 7 22 2 |36.858105| |12.588929|36.858105| |8.038401|13.404562|73.516695| |5.217128|7.934766|25.162766|36.858105| |4.355779|6.580694|13.894047|13.810592|36.858105| |3.314149|4.448747|9.220928|7.953920|13.696130|36.858105| |2.968046|3.757669|8.220813|6.851965|7.911551|13.829456|36.858105| |3.196054|3.953683|9.426378|7.854207|6.819724|7.922252|13.642648|36.858105| |4.102951|5.249688|14.736027|13.655628|7.961117|6.931945|7.977418|13.774186|36.858105| |4.104917|4.725784|12.950888|8.002391|5.245035|4.640008|5.256172|8.082678|14.032803|73.516695| |2.686560|3.116534|7.088634|5.023565|4.421248|4.986820|7.420866|12.554417|7.658618|12.309304|36.858105| |2.687642|3.054030|6.932670|4.687473|4.018114|4.318893|5.838949|8.923490|6.954643|12.654095|17.616129|0.500000| |2.246194|2.576924|5.526287|3.806982|3.661765|4.386018|6.422873|7.387446|4.962275|7.935924|12.528845|0.246782|36.858105| |1.985890|2.208072|4.644911|3.031237|2.871877|3.261312|4.266281|4.879870|3.807499|6.637938|7.546581|0.187794|12.530358|36.858105| |1.993114|2.177046|4.602530|2.921450|2.687718|2.934602|3.696474|4.415561|3.689503|6.844218|6.702999|0.176752|7.768973|15.132158|53.358707| |2.243704|2.437345|5.286311|3.315122|2.922679|3.084047|3.841684|4.932025|4.345102|8.644807|7.504596|0.197775|6.543780|8.031644|18.324481|36.858105| |2.149299|2.310479|4.934170|3.037740|2.703363|2.825428|3.412240|4.195300|3.824824|7.563896|5.636278|0.143887|5.170280|6.207682|12.791638|17.612660|0.500000| |2.636294|2.963196|6.713194|4.436571|3.791446|4.018976|5.271074|7.700059|6.404758|12.273245|12.656185|0.257037|7.849350|6.899338|10.568853|12.440205|0.254603|53.358707| |2.961794|3.296359|7.730675|4.936347|3.957998|3.954809|4.895118|7.331207|7.370592|16.873634|9.268883|0.226223|5.762958|5.130506|7.884588|9.080823|0.211633|25.609091|0.500000| |2.562923|2.903862|6.451809|4.299936|3.812989|4.118826|5.355275|7.095660|5.819126|10.252608|9.222682|0.182409|7.223390|6.272205|9.134074|9.062469|0.237490|25.684038|0.325209|0.500000| |2.286469|2.419620|5.243026|3.154805|2.714232|2.764007|3.306222|4.242352|4.068522|8.802896|5.859996|0.184249|4.837442|5.556309|10.537765|12.542490|0.248470|10.443820|0.210938|0.159659|36.858105| |2.157200|2.274914|4.848905|2.910751|2.545060|2.606093|3.093891|3.852001|3.663069|7.657594|5.205659|0.180118|4.553531|5.278165|9.001711|7.494533|0.158193|7.569376|0.149946|0.121606|13.730848|36.858105| |2.119527|2.181266|4.572935|2.653966|2.314116|2.316350|2.653260|3.219174|3.212224|6.812650|3.968131|0.134132|3.481730|3.830797|6.101007|5.003870|0.117926|5.652965|0.118570|0.095504|7.940019|13.763218|36.858105| |2.196668|2.207179|4.607242|2.591882|2.230466|2.183619|2.446202|2.959560|3.077255|6.742127|3.478501|0.112297|2.993921|3.209022|5.119610|4.435268|0.111535|5.197974|0.114572|0.089903|6.860029|7.923803|13.733221|36.858105| |2.329268|2.334166|4.930313|2.753892|2.337631|2.270486|2.543171|3.119842|3.298213|7.461216|3.648113|0.113026|3.067049|3.266765|5.358394|5.035881|0.132919|5.890469|0.135538|0.102297|7.913068|6.857505|7.929757|13.717682|36.858105| |2.380360|2.450864|5.283988|3.045589|2.577317|2.542075|2.924253|3.687447|3.794860|8.626164|4.543416|0.136857|3.727805|4.036284|7.024726|7.619464|0.201728|8.181491|0.190079|0.136770|13.701166|7.933635|6.888767|7.947648|13.777673|36.858105| |2.065200|2.032049|4.129172|2.277149|1.984422|1.925634|2.107137|2.474949|2.601655|5.540468|2.785807|0.088228|2.456512|2.590670|3.978146|3.288527|0.085051|4.028833|0.088242|0.072075|4.456782|5.070665|7.703745|12.715051|7.535143|5.029284|36.858105| |1.934500|1.910249|3.834736|2.127454|1.880002|1.835290|2.000919|2.313412|2.403494|4.978697|2.588822|0.082385|2.329299|2.453509|3.683747|2.932584|0.075196|3.623907|0.077858|0.065270|3.812011|4.550962|6.797410|8.057077|5.276095|4.002181|16.033599|73.516695| |2.072182|1.999797|4.018702|2.174580|1.892561|1.816107|1.959700|2.283441|2.439025|5.201903|2.508937|0.077330|2.210012|2.307063|3.533780|2.957147|0.078921|3.696217|0.082102|0.067450|3.838085|4.010193|5.280694|8.118114|6.929908|4.611247|14.469092|15.286581|73.516695| |1.910794|1.823482|3.583589|1.926411|1.699998|1.628350|1.733738|1.979623|2.110790|4.382843|2.133816|0.065078|1.912028|1.982360|2.975977|2.425014|0.065131|3.082461|0.067666|0.057200|2.992321|3.149005|3.963253|5.185683|4.566612|3.429859|8.148176|12.784987|23.777728|36.858105| |1.736723|1.915755|3.917763|2.516633|2.452607|2.794822|3.491113|3.699161|3.001506|5.182370|4.908977|0.129229|7.376195|12.773812|10.964995|5.123453|0.123530|6.106203|0.101679|0.119497|4.093478|4.157421|3.247840|2.734336|2.715300|3.184408|2.292367|3.945250|3.639984|1.795592|36.858105| |1.584394|1.718039|3.475043|2.177053|2.104171|2.333995|2.804686|2.995420|2.552359|4.534724|3.827572|0.105008|4.941945|7.633724|9.293372|4.542818|0.114541|5.079170|0.088073|0.099047|3.877902|4.040681|3.240475|2.726043|2.674944|3.075804|2.307682|3.997269|3.655751|1.810749|13.661542|36.858105| |1.432808|1.547180|3.079612|1.914135|1.876067|2.077682|2.434351|2.526401|2.188184|3.855654|3.060289|0.084191|3.822960|5.057910|6.223064|3.419519|0.088881|4.020628|0.071809|0.079733|3.044423|3.198351|2.710886|2.327509|2.266703|2.529866|2.032339|3.568980|3.248936|1.638329|7.919473|13.803011|36.858105| |1.398710|1.520897|3.002116|1.878804|1.875580|2.105917|2.451570|2.464597|2.117569|3.653155|2.893580|0.078597|3.675966|4.451871|5.194146|2.976030|0.077362|3.688884|0.066216|0.074155|2.642129|2.756400|2.374728|2.063805|2.014591|2.232640|1.825665|3.220419|2.940220|1.496381|6.833113|7.924679|13.729389|36.858105| |1.499464|1.651997|3.272133|2.082919|2.108115|2.423480|2.868555|2.812615|2.352465|3.966015|3.284213|0.087327|4.409239|5.044455|5.447576|3.125434|0.080042|4.032025|0.071460|0.081690|2.709094|2.794240|2.378610|2.068151|2.032493|2.274327|1.818555|3.193766|2.932771|1.488113|7.931917|6.898846|7.982521|13.797182|36.858105| |1.677190|1.866859|3.762662|2.438757|2.452515|2.866468|3.545718|3.515623|2.827880|4.720944|4.301991|0.111446|6.478826|7.588032|7.160478|3.910431|0.097154|5.103412|0.087451|0.102888|3.245193|3.303702|2.711997|2.332068|2.310354|2.645089|2.007411|3.489211|3.220746|1.613390|13.700298|7.931959|6.885057|7.921733|13.774089|36.858105| |1.414148|1.563883|3.041136|1.933400|2.007768|2.325953|2.658591|2.496237|2.117170|3.506168|2.737946|0.072559|3.479032|3.568069|4.021040|2.474605|0.064305|3.333523|0.060570|0.068430|2.192141|2.247188|1.973321|1.751623|1.724643|1.898836|1.571170|2.773336|2.562492|1.317403|4.598411|4.093451|4.602331|6.696391|10.066112|6.716492|2539.412838| |17.578879|8.859327|12.877005|4.852690|3.983671|3.115371|2.855351|3.125050|4.006878|7.404484|2.672995|0.073711|2.228018|1.991420|2.754589|2.309073|0.062237|3.686030|0.085674|0.073651|2.353678|2.182623|2.142863|2.254296|2.439810|2.499848|2.110726|3.471527|3.814988|1.968626|1.732917|1.588041|1.431721|1.389817|1.483255|1.660233|47.291189|0.500000| |17.579464|8.859227|12.864419|4.871909|3.987536|3.124136|2.869826|3.147756|4.041188|7.478298|2.699425|0.076813|2.244751|1.997757|2.738679|2.265660|0.059724|3.577324|0.082315|0.069655|2.359560|2.258377|2.254150|2.346862|2.456063|2.462504|2.230220|3.725829|3.972788|2.066391|1.747672|1.601134|1.446742|1.407334|1.503021|1.679676|48.014104|0.300289|0.500000| |17.573146|8.905992|10.220059|4.231962|3.809667|2.980908|2.643206|2.767662|3.395607|5.939023|2.356820|0.065316|2.018995|1.797858|2.445742|1.994452|0.053370|3.139338|0.070694|0.062808|2.023499|1.924033|1.897385|1.960750|2.062924|2.097882|1.865308|3.133199|3.337648|1.755004|1.593865|1.461155|1.332726|1.307262|1.399016|1.550996|45.330863|0.300987|0.300988|0.500000| |8.839611|17.575576|16.522913|7.058395|6.672200|4.535360|3.716775|3.767813|4.767031|7.434372|2.965143|0.078772|2.502037|2.144293|2.868697|2.346468|0.062593|3.889050|0.087115|0.079765|2.282385|2.124660|2.018356|2.039126|2.173647|2.308801|1.872605|3.127313|3.288132|1.690073|1.870116|1.675120|1.513880|1.494418|1.627020|1.834105|52.767241|0.212079|0.173266|0.212540|0.500000| |8.835081|17.576071|16.523845|7.128411|6.697161|4.565803|3.751645|3.811088|4.830452|7.516332|3.003485|0.082651|2.527284|2.153322|2.852200|2.302238|0.060070|3.764482|0.083649|0.074805|2.289005|2.195495|2.111541|2.107834|2.186157|2.280476|1.955308|3.310579|3.388774|1.751251|1.889542|1.691199|1.532231|1.516787|1.653820|1.861199|53.794280|0.173224|0.212105|0.212277|0.300352|0.500000| |4.603755|7.240351|12.367846|8.919030|17.766188|8.920887|5.647889|4.928180|5.648113|7.507348|3.540282|0.091395|3.050397|2.477031|3.179195|2.517746|0.065638|4.276530|0.091192|0.088275|2.369144|2.239355|2.071122|2.015335|2.104968|2.282944|1.823499|3.086330|3.119202|1.594935|2.165706|1.886471|1.704589|1.711997|1.910951|2.181681|62.917288|0.113625|0.113254|0.116271|0.221844|0.219232|0.500000| |2.953592|3.853788|7.428487|5.663906|8.931748|17.743303|8.958617|5.640946|4.984593|6.538926|4.061920|0.099589|3.840554|2.946270|3.584401|2.702462|0.069676|4.589345|0.091041|0.097093|2.426769|2.312592|2.073298|1.954734|2.019485|2.239144|1.744479|2.977499|2.933551|1.493948|2.616341|2.199286|1.992020|2.050283|2.372864|2.754459|79.914812|0.076981|0.077113|0.075932|0.111845|0.112304|0.216264|0.500000| |2.544810|3.112576|6.522985|4.945147|5.652334|9.003092|17.763978|8.847676|5.654068|7.519100|6.791728|0.148662|7.297497|4.652427|5.202110|3.751574|0.092799|6.617778|0.119507|0.139815|3.156835|2.994371|2.544632|2.314805|2.384305|2.742977|1.999002|3.400066|3.290473|1.644451|3.926811|3.056448|2.664622|2.738175|3.308146|4.180132|105.275560|0.068379|0.068734|0.064074|0.086245|0.087013|0.124698|0.217709|0.500000| |4.980016|5.533547|16.091352|7.974237|5.067597|4.217518|4.443451|6.048450|10.023545|35.535373|5.153121|0.148702|3.656137|3.150286|4.433888|4.009860|0.101020|7.097246|0.188547|0.127738|4.213514|3.759642|3.519208|3.611238|3.995008|4.362111|3.074951|4.906526|5.250620|2.515850|2.547013|2.270274|1.961838|1.865854|2.009937|2.347391|61.318589|0.141847|0.144678|0.107912|0.129900|0.132196|0.118321|0.094952|0.100860|0.500000| |2.198955|2.545157|5.377027|3.738322|3.741759|4.659242|6.865691|6.886280|4.657669|7.184428|8.816041|0.173672|17.540611|8.945685|8.528902|5.502538|0.132494|9.254776|0.143186|0.203383|4.048411|3.706162|2.951439|2.622777|2.733436|3.301002|2.192565|3.690736|3.571307|1.755559|6.464143|4.462108|3.599676|3.569718|4.377613|6.312601|122.270516|0.060807|0.060129|0.055279|0.070070|0.069076|0.086984|0.115893|0.238631|0.093926|0.500000| |2.184264|2.513630|5.302106|3.651180|3.612971|4.412610|6.334893|6.591078|4.569285|7.171171|8.961590|0.218744|17.620015|8.893485|8.034611|4.994900|0.113119|7.721285|0.128166|0.144629|4.123551|4.163544|3.305056|2.808016|2.792427|3.256602|2.355636|4.045730|3.743491|1.843671|6.980433|4.722100|3.818713|3.816632|4.746603|6.994384|130.380189|0.059333|0.061038|0.054913|0.067341|0.069905|0.084360|0.109755|0.211419|0.094104|0.303638|0.500000| |2.042542|2.182401|4.608044|2.824534|2.530527|2.654507|3.201473|3.891620|3.531325|6.973033|5.413571|0.189188|5.151304|6.304917|10.082649|6.900347|0.143711|7.168202|0.133539|0.117630|8.892351|17.751071|8.948809|5.649164|4.947127|5.639224|4.140259|7.015096|5.946385|2.748059|5.046252|4.873516|3.742642|3.186566|3.235670|3.885242|86.064469|0.056819|0.059134|0.050979|0.056888|0.059242|0.061758|0.065957|0.088256|0.094623|0.112277|0.134934|0.500000| |1.991093|2.045514|4.217769|2.446204|2.167732|2.178318|2.470741|2.920083|2.894199|5.935690|3.510675|0.118153|3.187267|3.481025|5.292226|4.071834|0.097498|4.770764|0.098513|0.082587|5.643373|8.903589|17.757281|8.959332|5.655237|4.963461|7.220791|13.655021|8.617250|3.883442|3.084094|3.117556|2.672432|2.355689|2.341970|2.624150|66.601039|0.055350|0.059105|0.049956|0.052509|0.055707|0.054349|0.054717|0.066427|0.086419|0.075417|0.086801|0.215191|0.500000| |2.327539|2.283012|4.747011|2.589878|2.203278|2.113254|2.320266|2.794030|3.009422|6.738988|3.139058|0.094659|2.670225|2.801510|4.488894|4.111124|0.113430|5.036424|0.116839|0.090808|5.637410|4.948073|5.646033|8.913463|17.769004|8.926784|6.940194|8.622339|13.957903|5.070587|2.377037|2.348753|2.027890|1.820004|1.833740|2.059885|53.740187|0.068627|0.068150|0.057475|0.059233|0.058951|0.055793|0.052531|0.060260|0.104031|0.067582|0.067965|0.107498|0.124441|0.500000| |2.417353|2.483708|5.339327|3.057953|2.590133|2.539965|2.892371|3.608472|3.753764|8.422651|4.281883|0.121274|3.540137|3.767867|6.466051|7.083312|0.218300|8.182917|0.195892|0.146029|8.874073|5.635197|4.957850|5.655125|8.957530|17.682691|4.094958|5.939687|7.106660|3.094287|2.991550|2.872397|2.387232|2.126113|2.174243|2.520205|62.404746|0.071722|0.068378|0.059185|0.065884|0.063296|0.063967|0.062232|0.075082|0.119889|0.090219|0.084765|0.123797|0.107665|0.216240|0.500000| |1.901656|1.795730|3.502393|1.866457|1.648413|1.570903|1.660979|1.887933|2.025254|4.195627|2.013283|0.060550|1.804128|1.862236|2.794123|2.289826|0.062422|2.937416|0.064798|0.055109|2.768162|2.821520|3.400750|4.381367|4.192608|3.228956|5.954051|9.176606|16.896277|17.676809|1.686802|1.697170|1.540179|1.411953|1.406268|1.522344|42.589022|0.054943|0.056856|0.048690|0.046449|0.047601|0.043178|0.040112|0.043683|0.067497|0.046457|0.048101|0.068737|0.090766|0.135994|0.083499|0.500000| |1.735266|1.671605|3.270676|1.778472|1.587188|1.534953|1.639170|1.856032|1.949073|3.984100|2.016018|0.061322|1.837457|1.928097|2.893138|2.314384|0.062297|2.899650|0.062686|0.054035|2.829640|3.025816|3.802104|4.735606|4.078660|3.161765|7.223142|12.749925|16.420961|17.649468|1.769778|1.807202|1.646872|1.498271|1.477153|1.589081|44.421407|0.049448|0.051753|0.044549|0.043301|0.044836|0.041403|0.039336|0.043561|0.062793|0.046893|0.049391|0.074469|0.106468|0.121309|0.079193|0.298443|0.500000| |1.975848|1.874532|3.663879|1.957066|1.726379|1.644985|1.740587|1.981245|2.126771|4.398473|2.111049|0.064800|1.884865|1.928909|2.855185|2.311935|0.061400|2.992626|0.065765|0.055444|2.824063|3.015431|3.786489|4.724605|4.074989|3.157370|7.210286|12.750345|16.417410|17.647351|1.750441|1.751390|1.590246|1.463929|1.463543|1.586078|44.392486|0.056034|0.060058|0.050483|0.047886|0.050340|0.045136|0.041935|0.045713|0.070773|0.047999|0.050952|0.074115|0.105859|0.121292|0.079052|0.298359|0.299952|0.500000| |1.598043|1.716752|3.486694|2.158338|2.052301|2.236234|2.667397|2.924697|2.546538|4.642710|3.778441|0.105613|4.557061|7.096536|10.492650|5.077103|0.129334|5.270150|0.092244|0.101082|4.440204|4.629633|3.652209|3.051225|2.996689|3.471604|2.542502|4.366710|4.005119|1.963054|8.917824|17.772906|8.933108|5.643138|4.969771|5.650165|113.216039|0.044755|0.045006|0.040818|0.046343|0.046642|0.051143|0.058011|0.078763|0.064667|0.112734|0.117034|0.153534|0.096144|0.072327|0.089012|0.050967|0.054627|0.052237|0.500000| |1.348840|1.443423|2.856330|1.754021|1.711744|1.870741|2.157775|2.250203|1.988893|3.544886|2.685504|0.074668|3.208598|4.119601|5.388578|3.089437|0.081799|3.600388|0.065472|0.071331|2.835885|2.994254|2.603691|2.257113|2.187904|2.405172|1.995364|3.520197|3.199189|1.623333|5.638799|8.944110|17.735086|8.933028|5.671110|4.959649|130.236360|0.037529|0.037904|0.034951|0.039215|0.039657|0.043508|0.049885|0.064636|0.050575|0.084213|0.088447|0.095406|0.071873|0.054736|0.063075|0.042403|0.045696|0.043593|0.215388|0.500000| |1.300178|1.407054|2.750755|1.707837|1.712595|1.909532|2.181487|2.175996|1.898482|3.278472|2.493767|0.068061|3.060225|3.559416|4.290980|2.555233|0.067259|3.200789|0.058379|0.064593|2.313186|2.414911|2.129250|1.872614|1.824124|1.994549|1.681258|2.982106|2.723677|1.399364|4.934229|5.639499|8.886244|17.755558|8.932303|5.643990|219.623677|0.035858|0.036333|0.033933|0.038472|0.039074|0.043829|0.052083|0.067166|0.046965|0.083441|0.088500|0.076248|0.059145|0.046200|0.052984|0.036761|0.039065|0.038079|0.124063|0.214733|0.500000| 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