Version2.0 2020-07-25T13:06:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1cc(c2c1cccc2)C[NH+]3CCC(CC3)[C@]4(C(=O)N(C(=O)N4)C[C@@H]5CCCO5)c6ccccn6 C11910806 RHF 6-31G(d) (6D,7F) Cn1cc(c2c1cccc2)C[NH+]3CCC(CC3)[C@]4(C(=O)N(C(=O)N4)C[C@@H]5CCCO5)c6ccccn6 C01[X(C28H34N5O3)] 204 C1 608 O=C1N[C@](C(=O)N1C[C@@H]1CCCO1)(C1CC[NH+](CC1)Cc1cn(c2c1cccc2)C)c1ccccn1 O=C1N[C@](C(=O)N1C[C@@H]1CCCO1)(C1CC[NH+](CC1)Cc1cn(c2c1cccc2)C)c1ccccn1 Cn1cc(C[NH+]2CCC(CC2)[C@@]3(NC(=O)N(C[C@@H]4CCCO4)C3=O)c5ccccn5)c6ccccc16 InChIKey=BAYDGVQRVKAJAW-RBISFHTESA-O InChI=1S/C28H33N5O3/c1-31-17-20(23-8-2-3-9-24(23)31)18-32-14-11-21(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)30-28)19-22-7-6-16-36-22/h2-5,8-10,13,17,21-22H,6-7,11-12,14-16,18-19H2,1H3,(H,30,35)/p+1/t22-,28+/m0/s1 InChI=1/C28H33N5O3/c1-31-17-20(23-8-2-3-9-24(23)31)18-32-14-11-21(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)30-28)19-22-7-6-16-36-22/h2-5,8-10,13,17,21-22H,6-7,11-12,14-16,18-19H2,1H3,(H,30,35)/p+1/t22-,28+/m0/s1/fC28H34N5O3/h30,32H/q+1 Cn1cc(c2c1cccc2)C[NH+]3CCC(CC3)[C@]4(C(=O)N(C(=O)N4)C[C@@H]5CCCO5)c6ccccn6 C01[X(C28H34N5O3)] 204 C01 608 O=C1N[C@](C(=O)N1C[C@@H]1CCCO1)(C1CC[NH+](CC1)Cc1cn(c2c1cccc2)C)c1ccccn1 O=C1N[C@](C(=O)N1C[C@@H]1CCCO1)([C@@H]1CC[NH](CC1)C[C]1=[CH][N]([C]2[C]1[CH][CH][CH][CH]2)C)[C]1[CH][CH][CH][CH][N]1 CN1C=C(C[NH]2CCC(CC2)[C@@]3(NC(=O)N(C[C@@H]4CCCO4)C3=O)[C]5[CH][CH][CH][CH][N]5)[C]6[CH][CH][CH][CH][C]16 InChIKey=AVNBCMMHTKDDPY-RBISFHTESA-N InChI=1S/C28H34N5O3/c1-31-17-20(23-8-2-3-9-24(23)31)18-32-14-11-21(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)30-28)19-22-7-6-16-36-22/h2-5,8-10,13,17,21-22,32H,6-7,11-12,14-16,18-19H2,1H3,(H,30,35)/t22-,28+/m0/s1 InChI=1/C28H34N5O3/c1-31-17-20(23-8-2-3-9-24(23)31)18-32-14-11-21(12-15-32)28(25-10-4-5-13-29-25)26(34)33(27(35)30-28)19-22-7-6-16-36-22/h2-5,8-10,13,17,21-22,32H,6-7,11-12,14-16,18-19H2,1H3,(H,30,35)/t22-,28+/m0/s1/f/h30H 3942.6268974637 -1576.8191617 1-A 21243.7978 130 478 608 |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| -20.63794 -20.63102 -20.62098 -15.82259 -15.71875 -15.69773 -15.68456 -15.65848 -11.47371 -11.45474 -11.42520 -11.42023 -11.41089 -11.39759 -11.38825 -11.37893 -11.36673 -11.36088 -11.36087 -11.35709 -11.35347 -11.35230 -11.34691 -11.34382 -11.34367 -11.34010 -11.33995 -11.33126 -11.33116 -11.32783 -11.32493 -11.32399 -11.31876 -11.31547 -11.29649 -11.29206 -1.52473 -1.49428 -1.46696 -1.45834 -1.42325 -1.39734 -1.36512 -1.31655 -1.24376 -1.23338 -1.19966 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0.84001 0.84431 0.84864 0.85320 0.85525 0.86058 0.87485 0.87664 0.88140 0.88364 0.89000 0.89210 0.90316 0.91286 0.91745 0.92170 0.93085 0.93277 0.94984 0.95402 0.95871 0.96428 0.96948 0.97505 0.98814 0.99327 0.99806 1.00113 1.00745 1.01067 1.01170 1.01725 1.01987 1.02458 1.02688 1.02850 1.03147 1.03554 1.03978 1.04284 1.04872 1.05380 1.05876 1.06593 1.06723 1.07048 1.07493 1.07601 1.08067 1.08335 1.08684 1.08929 1.09587 1.10194 1.10502 1.10808 1.10950 1.11348 1.11946 1.12413 1.12819 1.13071 1.13807 1.14119 1.14524 1.14672 1.15907 1.16397 1.17018 1.17202 1.17819 1.18550 1.18768 1.18978 1.19220 1.20207 1.20946 1.22090 1.22545 1.23500 1.24483 1.26175 1.26607 1.27824 1.29069 1.30627 1.31108 1.31541 1.32956 1.33210 1.33897 1.34546 1.35710 1.36459 1.36940 1.37299 1.37715 1.40313 1.40847 1.41653 1.42351 1.43249 1.43938 1.45125 1.45553 1.45714 1.47872 1.48946 1.49743 1.50523 1.51575 1.53137 1.55238 1.56344 1.56550 1.56879 1.57524 1.58501 1.59840 1.60554 1.61856 1.62486 1.63237 1.64519 1.65241 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895.5252 914.5003 941.7175 944.6134 958.2208 966.6837 970.6280 978.3841 992.7380 1000.6427 1014.7315 1018.1546 1038.8402 1050.5560 1065.9082 1071.0059 1072.6011 1085.1386 1094.1175 1097.6115 1111.9835 1114.6990 1118.5493 1120.7826 1123.1962 1143.7006 1145.5574 1146.3426 1154.0626 1157.5163 1175.6439 1180.7497 1190.5779 1212.1384 1217.6508 1234.6589 1235.1901 1250.0878 1256.3812 1257.3518 1262.0340 1263.1072 1274.0741 1291.3144 1306.2258 1323.3258 1331.6083 1333.0367 1335.2196 1344.8141 1352.7064 1377.4483 1385.1319 1387.9291 1391.2519 1392.9592 1432.2590 1443.4983 1451.6359 1453.8456 1467.4836 1471.2445 1480.8500 1485.8246 1488.3297 1500.2005 1502.2321 1506.0449 1508.6672 1530.2731 1534.9178 1545.9949 1555.8005 1562.8666 1564.9231 1568.6801 1573.6292 1577.6617 1592.0351 1594.5611 1604.6150 1606.8082 1627.2913 1629.2051 1631.6581 1632.2798 1640.2425 1640.8830 1641.8971 1646.5439 1651.1839 1653.0365 1654.3035 1661.3161 1668.2341 1685.8015 1727.7364 1771.4493 1785.1040 1798.6888 1817.5085 1987.2290 2053.4943 3205.5754 3215.4219 3232.7936 3233.6964 3237.8889 3238.2168 3260.8067 3266.6801 3267.9903 3273.5651 3273.8328 3278.0547 3284.5739 3284.8230 3296.6469 3302.7237 3306.8251 3308.7335 3319.0827 3326.7896 3329.2264 3336.8997 3355.9742 3357.1213 3375.8755 3377.6673 3385.6953 3387.4878 3399.3595 3403.5629 3410.9744 3420.1098 3694.3208 3869.8396 4.5445 5.0292 4.1543 4.3152 5.1293 4.3500 3.9009 4.8712 4.1926 6.5838 3.0571 4.2417 1.3306 6.2510 5.2087 4.7812 2.3719 4.2758 4.5290 2.7537 3.6748 2.4324 3.4823 3.8641 3.0068 2.8352 3.9174 3.5890 2.4685 3.8644 3.4975 4.8386 6.1273 5.8002 3.0458 3.2841 2.1435 2.9037 2.7107 3.0116 2.3644 1.7059 3.1569 3.4558 3.4313 4.2625 5.1904 3.6551 2.0676 4.0162 6.3419 6.2898 6.0852 4.2827 3.8047 3.8325 4.7606 6.7742 4.6910 3.9315 2.7972 1.4500 3.2995 1.9309 5.8996 2.6053 1.6776 2.9375 2.9067 2.3696 1.7805 2.1638 1.4965 3.3109 1.5477 2.5569 3.4211 1.4182 1.7549 1.6079 1.8474 2.1932 1.3615 2.0108 2.5728 4.2291 4.3687 1.4249 2.3762 1.4477 2.4185 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12315.9183 28481.7743 35971.9424 0.99999 0.00276 -0.00362 -0.00277 0.99998 -0.00499 0.00360 0.00500 0.99998 1 0.00703 0.00304 0.00241 0.14654 0.06336 0.05017 18.35 25.02 35.32 39.00 57.02 62.29 75.71 86.62 92.92 108.89 116.73 135.02 163.38 171.98 208.14 215.85 219.93 255.12 262.47 291.20 335.93 360.33 371.25 382.44 390.67 416.28 428.29 433.90 457.91 483.26 508.83 511.59 535.71 580.28 649.44 664.57 665.76 688.84 701.42 727.53 754.43 790.54 819.22 833.65 834.66 839.17 882.28 911.53 937.25 964.30 974.18 988.49 1033.30 1043.48 1065.73 1087.73 1136.71 1155.82 1180.26 1186.34 1212.38 1218.04 1223.16 1229.62 1237.29 1239.52 1263.95 1288.46 1315.76 1354.92 1359.09 1378.67 1390.84 1396.52 1407.68 1428.33 1439.70 1459.97 1464.90 1494.66 1511.52 1533.60 1540.94 1543.23 1561.27 1574.19 1579.22 1599.90 1603.80 1609.34 1612.56 1616.03 1645.53 1648.20 1649.33 1660.44 1665.41 1691.49 1698.84 1712.98 1744.00 1751.93 1776.40 1777.16 1798.60 1807.65 1809.05 1815.79 1817.33 1833.11 1857.91 1879.37 1903.97 1915.89 1917.94 1921.08 1934.89 1946.24 1981.84 1992.90 1996.92 2001.70 2004.16 2060.70 2076.87 2088.58 2091.76 2111.38 2116.79 2130.61 2137.77 2141.37 2158.45 2161.38 2166.86 2170.64 2201.72 2208.40 2224.34 2238.45 2248.62 2251.58 2256.98 2264.10 2269.90 2290.58 2294.22 2308.68 2311.84 2341.31 2344.06 2347.59 2348.49 2359.94 2360.86 2362.32 2369.01 2375.69 2378.35 2380.17 2390.26 2400.22 2425.49 2485.83 2548.72 2568.37 2587.91 2614.99 2859.18 2954.52 4612.11 4626.27 4651.27 4652.57 4658.60 4659.07 4691.57 4700.02 4701.91 4709.93 4710.32 4716.39 4725.77 4726.13 4743.14 4751.88 4757.78 4760.53 4775.42 4786.51 4790.01 4801.05 4828.50 4830.15 4857.13 4859.71 4871.26 4873.84 4890.92 4896.97 4907.63 4920.78 5315.30 5567.84 0.643996 0.673677 0.674621 0.579004 -1576.175166 -1576.145484 -1576.144540 -1576.240158 3.207043D-04 MUNgauss RevisionA2.0 retrievium 25-Jul-2020 DUDE Cn1cc(c2c1cccc2)C[NH+]3CCC(CC3)[C@]4(C(=O)N(C(=O)N4)C[C@@H]5CCCO5)c6ccccn6 C11910806 RHF 6-31G(d) (6D,10F) C1 488.266165 |X|Y|Z| 75.128083 118.651465 39.004145 70.317279 33 6 7 8 27 5 1 |36.858105| |13.146624|53.358707| |7.624072|19.165042|36.858105| |5.239330|11.594614|13.994655|36.858105| |5.214233|11.523449|8.489958|13.178912|36.858105| |7.584454|18.832755|8.605953|8.376865|13.624271|36.858105| |6.133322|10.341428|5.321780|5.268017|7.789360|13.649284|36.858105| |4.267281|7.020818|4.199419|4.551065|6.867298|8.048337|13.871820|36.858105| |3.662373|6.315007|4.178280|5.008687|7.972487|6.935256|7.867441|13.559170|36.858105| |3.893261|7.268247|5.244083|7.252044|13.592771|7.890382|6.744154|7.879998|13.877132|36.858105| |3.810149|7.068588|7.526671|12.800293|7.206470|5.106549|3.794408|3.532331|4.044071|5.665362|36.858105| |3.309156|5.776370|5.629538|7.584274|5.427596|4.173750|3.284377|3.113460|3.537688|4.673968|12.538365|53.358707| |3.592028|6.197020|6.170630|7.326515|5.159804|4.243747|3.309800|3.044615|3.328960|4.240297|9.331498|25.708263|0.500000| |2.701594|4.442296|4.125750|4.984756|3.889735|3.178066|2.626892|2.529601|2.844153|3.556016|7.619277|17.302788|0.258563|36.858105| |2.389797|3.794927|3.351593|3.817768|3.189597|2.720897|2.322482|2.251533|2.493300|2.988595|4.942906|10.388442|0.197911|12.508021|36.858105| |2.272377|3.613313|3.068151|3.560212|3.168359|2.686212|2.344508|2.327603|2.618194|3.103004|4.338187|8.772214|0.163024|7.537743|12.427291|36.858105| |2.620079|4.270472|3.595558|4.278471|3.893890|3.242327|2.798772|2.778100|3.152650|3.801712|4.926491|10.397477|0.199244|6.545917|7.646392|12.408522|36.858105| |3.040124|5.245876|4.592891|6.140504|5.411935|4.096358|3.373331|3.346680|3.955210|5.219353|7.543988|17.258412|0.260103|7.710872|6.542805|7.542436|12.514445|36.858105| |1.996819|3.078332|2.537941|2.819246|2.578967|2.274081|2.036343|2.023770|2.227538|2.539032|3.240161|5.897825|0.117946|4.874213|7.455821|12.320320|7.435167|4.871349|36.858105| |1.890914|2.900791|2.324949|2.586703|2.466810|2.190873|2.007194|2.031517|2.244043|2.500335|2.861451|4.952734|0.098384|3.781775|4.895152|7.583431|6.530068|4.397892|12.364958|36.858105| |1.816685|2.797652|2.223581|2.507582|2.441123|2.149444|1.990305|2.050398|2.298133|2.543488|2.772068|4.650824|0.089719|3.525377|4.262826|6.384630|5.747206|4.235113|7.821663|16.021592|73.516695| |1.863467|2.813127|2.221740|2.410051|2.314204|2.107453|1.949223|1.956552|2.116685|2.316632|2.581929|4.376678|0.090362|3.234130|4.071353|5.502415|5.378652|3.778932|8.144513|14.002140|14.843488|53.358707| |1.943725|2.910457|2.320496|2.466605|2.313891|2.131453|1.948535|1.917766|2.044914|2.252517|2.640668|4.534220|0.097145|3.376392|4.398151|5.443778|5.240321|3.711072|8.112459|8.361474|9.890451|18.701770|36.858105| |1.890620|2.780498|2.188573|2.274912|2.144704|2.017706|1.860289|1.817145|1.905770|2.070891|2.382681|3.970941|0.086588|2.912398|3.626325|4.153610|4.159822|3.163872|5.455450|5.573391|7.494499|11.279973|16.036170|73.516695| |2.050588|3.110456|2.548511|2.736755|2.489662|2.254189|2.019326|1.973697|2.123291|2.392557|3.038768|5.457181|0.116988|4.280644|6.240380|7.649986|6.334470|4.308886|13.142565|8.291806|9.808328|11.704737|13.897307|14.795354|53.358707| |1.757910|2.625106|2.026744|2.181024|2.150269|1.988493|1.879060|1.905512|2.044930|2.182917|2.274577|3.706678|0.076457|2.666962|3.155294|4.023535|4.206875|3.211146|5.075762|7.648373|11.644871|17.832828|7.638049|11.686029|7.196141|36.858105| |1.903028|2.859844|2.173588|2.353739|2.381568|2.206711|2.109284|2.162735|2.325179|2.451341|2.395809|3.859128|0.079498|2.657441|3.012482|3.830907|4.423532|3.471299|4.301369|5.998378|10.149253|10.495307|5.616312|8.991194|5.963044|12.444511|36.858105| |1.909650|2.904748|2.211892|2.441665|2.499946|2.276940|2.180320|2.273489|2.494795|2.634652|2.504346|4.019122|0.080835|2.761409|3.082049|4.026437|4.691975|3.734172|4.338947|6.258347|11.937151|9.221663|4.842167|7.450715|5.579756|8.896680|17.602007|0.500000| |1.768389|2.607861|1.942917|2.067392|2.122305|2.014022|1.968465|2.024743|2.133830|2.188510|2.062903|3.211164|0.066521|2.207379|2.436957|2.933508|3.318555|2.791857|3.217613|4.096392|7.141991|6.812369|4.146016|7.268932|4.541867|7.498473|12.438991|0.242232|36.858105| |1.858930|2.703755|1.999844|2.084141|2.125100|2.057653|2.009517|2.026677|2.089298|2.140386|2.047791|3.180495|0.067436|2.163132|2.383192|2.777657|3.178998|2.698355|3.023830|3.598415|5.971634|6.116286|4.156836|7.849731|4.509713|5.946675|7.992030|0.160628|12.441371|36.858105| |2.176332|3.207606|2.378530|2.484501|2.528739|2.441175|2.350765|2.344897|2.419560|2.513077|2.414084|3.817269|0.082228|2.518921|2.767751|3.248739|3.955475|3.302872|3.423654|3.969019|6.417002|6.633478|4.691835|8.605794|5.199072|5.699129|8.137868|0.169846|8.027082|12.483188|36.858105| |2.182786|3.298361|2.506912|2.696404|2.713865|2.528912|2.387732|2.406060|2.561185|2.729423|2.697011|4.420653|0.093616|2.933457|3.308999|4.143955|5.223221|4.014463|4.431736|5.523752|8.716580|9.455382|6.039730|9.886409|6.545545|7.918016|13.496711|0.261167|8.107453|8.103228|13.445772|73.516695| |1.765251|2.686028|2.207301|2.426138|2.220765|1.975060|1.783835|1.777411|1.948556|2.197766|2.808724|4.824001|0.095106|4.230079|6.104779|7.415796|4.846191|3.742641|12.398555|7.636269|11.010363|7.772092|5.666592|7.716598|10.409837|4.072276|3.392009|0.095598|2.698993|2.526170|2.735175|5.940221|36.858105| |1.610742|2.408604|1.953932|2.100973|1.938785|1.759315|1.606151|1.595011|1.723623|1.911465|2.370762|3.930172|0.079413|3.331644|4.472420|4.956328|3.740242|2.997508|7.484556|5.920882|8.689245|7.143064|5.476423|7.961307|8.934489|3.927613|3.143074|0.085951|2.585080|2.447963|2.574357|5.416438|13.724046|36.858105| |1.465991|2.177295|1.758589|1.882797|1.744545|1.590261|1.460615|1.454233|1.568246|1.727441|2.121856|3.406012|0.068241|2.903110|3.667317|3.861228|3.024007|2.554923|5.007204|4.311696|6.933707|5.280012|3.938466|6.111531|6.075477|3.161955|2.614112|0.072281|2.226506|2.105428|2.178853|4.466060|7.995576|13.756733|36.858105| |1.446367|2.159152|1.751033|1.892214|1.751589|1.583610|1.452668|1.453048|1.578614|1.745924|2.162344|3.424988|0.067252|2.985169|3.655626|3.776591|2.922193|2.548940|4.479227|3.868383|6.575909|4.541054|3.293523|5.107211|5.142176|2.780340|2.387107|0.067488|2.043416|1.917848|1.996273|4.087398|7.007840|7.987006|13.783856|36.858105| |1.563271|2.365003|1.937210|2.131026|1.961326|1.744539|1.587884|1.594114|1.753537|1.964988|2.491933|3.999660|0.076672|3.605514|4.453218|4.653753|3.408664|2.987523|5.203608|4.318014|7.522286|4.763184|3.387437|5.112157|5.481515|2.865214|2.517795|0.072592|2.117679|1.973243|2.089424|4.347335|8.376954|7.051239|8.042784|13.770248|36.858105| |1.732275|2.652577|2.192018|2.443756|2.233151|1.961927|1.769236|1.774394|1.966300|2.232657|2.897438|4.868302|0.092478|4.473669|6.027401|6.838801|4.458934|3.717069|7.826845|5.777009|9.715163|5.891300|4.154233|5.982425|7.137415|3.356860|2.946329|0.085469|2.398520|2.228519|2.407319|5.146941|14.425222|8.024817|6.908030|8.002058|14.422598|53.358707| |17.597213|12.402889|5.941897|4.499395|4.672568|6.698601|6.088743|4.261678|3.561170|3.659253|3.386632|4.195823|0.093647|2.527398|2.293300|2.219202|2.587036|2.929075|1.977755|1.895211|3.228909|2.574801|1.974435|3.445571|2.793553|1.803098|1.970322|0.054528|1.849356|1.968415|2.317761|4.053699|1.737331|1.594367|1.445887|1.416592|1.522562|2.298679|0.500000| |17.597304|12.401063|5.981851|4.524440|4.698945|6.716624|6.092152|4.278119|3.582550|3.683702|3.410625|3.974165|0.085697|2.441912|2.158054|2.060252|2.339828|2.708847|1.820287|1.734485|2.989148|2.318191|1.761463|3.045028|2.520636|1.616987|1.746942|0.048939|1.635990|1.706885|1.967886|3.508438|1.628958|1.491629|1.368995|1.357838|1.465683|2.192330|0.299811|0.500000| |17.635035|12.520593|7.323687|4.854541|4.429751|5.654185|4.595304|3.473571|3.116814|3.379197|3.732170|4.469816|0.100953|2.736243|2.427573|2.259891|2.559306|2.922417|1.995822|1.864309|3.157869|2.506359|1.945353|3.379636|2.815826|1.723278|1.840160|0.050963|1.705217|1.800052|2.098809|3.747571|1.775197|1.627334|1.483311|1.460926|1.573323|2.366205|0.301026|0.300981|0.500000| |6.914653|12.315110|17.760057|8.657623|5.775833|5.908903|4.193481|3.416146|3.383286|4.078738|6.523251|7.129693|0.166784|4.101703|3.365741|2.971942|3.361195|4.084296|2.493144|2.244392|3.774667|2.936299|2.291752|3.872822|3.458242|1.954016|2.060568|0.057672|1.845688|1.912820|2.257247|4.209609|2.193926|1.958612|1.768408|1.756698|1.931210|2.956094|0.150710|0.152208|0.219642|0.500000| |6.561745|9.137877|4.635167|4.298418|5.566871|8.812540|17.732374|8.924095|5.604760|4.885922|3.233290|3.893173|0.081363|2.346246|2.107837|2.115918|2.487458|2.898780|1.870982|1.845686|3.238211|2.467665|1.824408|3.132632|2.554535|1.759742|1.966001|0.055858|1.861483|1.922346|2.228600|3.947493|1.651029|1.502724|1.371755|1.359347|1.473238|2.218408|0.194168|0.192831|0.132858|0.107078|0.500000| |3.680589|5.630952|3.431689|3.622882|4.950327|5.690543|8.987147|17.730619|8.879641|5.636817|2.948232|3.621685|0.072572|2.222780|2.013115|2.091849|2.459304|2.865336|1.852162|1.878435|3.385415|2.480568|1.778838|3.017070|2.465321|1.798184|2.044194|0.059585|1.948386|1.949199|2.219327|3.993051|1.640672|1.485487|1.361421|1.358921|1.480974|2.226362|0.104571|0.104865|0.084840|0.080532|0.215589|0.500000| |3.041173|5.006066|3.411518|4.032872|5.656732|4.985507|5.632210|8.880187|17.729766|8.975459|3.495089|4.290105|0.081648|2.622532|2.336025|2.491963|2.950645|3.590570|2.145775|2.196884|4.066044|2.808656|1.964937|3.249177|2.755350|2.015669|2.299259|0.069397|2.126177|2.048341|2.331667|4.403813|1.893953|1.679063|1.535790|1.551775|1.723251|2.615263|0.082948|0.083451|0.073653|0.079560|0.123888|0.215628|0.500000| |3.281250|5.874272|4.530409|6.400792|8.802257|5.604019|4.883928|5.618053|8.965372|17.702432|5.922187|6.805366|0.119276|3.886418|3.221468|3.401776|4.113104|5.847626|2.723580|2.684892|4.939473|3.305521|2.328204|3.750384|3.398142|2.268172|2.527976|0.076758|2.223316|2.134399|2.483953|4.914465|2.365352|2.028496|1.834898|1.872557|2.136572|3.323052|0.085811|0.086436|0.081940|0.102512|0.106370|0.124157|0.216606|0.500000| |3.683909|6.481323|7.017711|8.938684|5.507191|4.377139|3.341889|3.066711|3.384826|4.421486|17.619094|12.430531|0.220473|7.439136|4.776584|3.923884|4.161403|5.592901|3.025827|2.624136|4.482058|3.248745|2.479302|4.017660|3.914790|2.098437|2.170970|0.062362|1.887669|1.885868|2.194533|4.306092|2.702598|2.310725|2.092604|2.142206|2.453820|3.817644|0.089465|0.092485|0.104303|0.194104|0.081634|0.072667|0.082692|0.126078|0.500000| |3.320428|5.964751|5.649821|8.870332|6.683603|4.616368|3.612692|3.529723|4.237966|6.072134|17.618365|12.380709|0.182457|6.881130|4.569893|4.201307|4.629483|7.086583|3.134918|2.821669|4.991438|3.403375|2.496798|3.978758|3.875799|2.219595|2.340603|0.069094|2.018002|1.969605|2.288654|4.579016|2.769607|2.322724|2.101485|2.174767|2.537852|3.991504|0.082964|0.085347|0.088888|0.136477|0.084901|0.082317|0.104309|0.195959|0.302175|0.500000| |2.740030|4.434357|4.202630|4.803306|3.641740|3.066335|2.524014|2.390131|2.631269|3.240137|7.183110|12.387546|0.223565|17.618265|8.796443|5.483826|4.907241|5.622085|4.042426|3.192821|5.283779|3.842048|3.003971|4.738258|5.097465|2.368060|2.347279|0.066907|1.992223|1.976529|2.279919|4.597384|3.689626|3.041438|2.715296|2.797642|3.294800|5.292967|0.070227|0.068966|0.078756|0.122032|0.063368|0.058571|0.067081|0.095843|0.234737|0.172356|0.500000| |2.502793|4.109928|3.711797|4.602894|3.768820|3.028592|2.545797|2.506881|2.879225|3.609490|7.032703|12.443095|0.181860|17.604559|8.792529|6.794303|5.768038|7.044142|4.499117|3.646643|6.313840|4.144795|3.064420|4.694586|5.125512|2.551714|2.550174|0.075015|2.128799|2.050526|2.350540|4.876037|4.094128|3.200335|2.856731|3.030769|3.770562|6.288776|0.064950|0.063993|0.069518|0.100135|0.062831|0.061418|0.074955|0.114061|0.185807|0.208743|0.301419|0.500000| |2.485187|3.889537|3.439481|3.746072|3.099937|2.720359|2.315716|2.207092|2.392256|2.830929|4.595734|9.356816|0.209013|8.897679|17.510329|8.797219|6.869470|5.727249|6.814345|4.563226|6.816948|5.557825|4.746018|7.131211|9.483335|3.162024|3.004570|0.083000|2.451789|2.460378|2.889624|6.029823|5.448872|4.336344|3.513481|3.362900|3.858528|6.723285|0.066662|0.061610|0.071092|0.098377|0.058991|0.054924|0.061726|0.082357|0.126176|0.112675|0.215410|0.173468|0.500000| |2.141575|3.338876|2.904258|3.246605|2.761885|2.392034|2.073365|2.020535|2.226711|2.622579|4.133415|7.610203|0.145050|9.013261|17.619079|8.779714|5.528817|4.907190|6.785490|4.488088|7.085804|5.071606|3.994456|5.942208|7.557181|2.918711|2.720753|0.077278|2.237663|2.175323|2.460046|5.150617|6.817530|4.951050|4.186186|4.318200|5.452002|10.018404|0.057000|0.054408|0.060722|0.081944|0.052725|0.050703|0.058606|0.078694|0.115456|0.109943|0.214250|0.215172|0.302495|0.500000| |2.137709|3.404361|2.863383|3.381944|3.077623|2.576758|2.273437|2.297809|2.630635|3.116084|4.174436|7.805151|0.136562|6.881457|8.900431|17.608239|8.885816|6.892700|8.993975|6.944848|12.160311|6.559600|4.450134|6.236044|7.675960|3.722004|3.576804|0.108385|2.782420|2.569544|2.929271|6.563552|7.054102|4.670016|3.827371|3.942873|5.150992|10.550323|0.057705|0.054547|0.058629|0.076251|0.056748|0.057575|0.070682|0.097779|0.104459|0.118987|0.140422|0.202867|0.173811|0.214504|0.500000| |2.760372|4.433860|3.713806|4.197581|3.774383|3.274183|2.818333|2.730086|2.995815|3.538152|4.572337|9.328713|0.209599|5.713904|6.837539|8.770464|17.551216|8.868951|6.794396|5.898832|8.687591|7.514607|5.943186|8.579337|9.661477|4.316835|4.541878|0.125620|3.439139|3.451991|4.490544|10.380078|4.460118|3.632204|2.913120|2.742873|3.090602|5.339841|0.076734|0.067401|0.075576|0.098042|0.070523|0.067331|0.076868|0.101666|0.110358|0.113723|0.128205|0.132718|0.201414|0.139582|0.173540|0.500000| |2.447154|3.941218|3.190591|3.763556|3.648673|3.077184|2.744667|2.796206|3.202075|3.741578|4.120280|7.621722|0.146068|4.905659|5.522574|8.743503|17.609435|9.049859|6.739306|7.404185|12.453684|8.176109|5.239185|7.373386|7.700111|4.896173|5.486178|0.172198|3.894400|3.573363|4.459145|11.280763|4.523724|3.578306|2.914448|2.807708|3.238175|5.655108|0.067987|0.061349|0.065540|0.081863|0.067818|0.069578|0.085135|0.113210|0.097125|0.111889|0.108000|0.129202|0.139918|0.123028|0.213494|0.304760|0.500000| |2.763975|4.719960|4.039552|5.464666|5.100472|3.790064|3.206658|3.295304|4.053160|5.396556|6.972497|12.451477|0.182575|7.070971|5.792126|6.822431|8.788763|17.601299|4.506385|4.199118|7.629946|4.754236|3.312836|5.025730|5.159396|3.020401|3.247659|0.099870|2.641327|2.491550|2.952017|6.345911|3.652656|2.903781|2.525134|2.579047|3.082204|5.179082|0.073468|0.070082|0.073385|0.099763|0.076221|0.078914|0.105426|0.186070|0.145811|0.216241|0.144592|0.213797|0.133328|0.129808|0.204121|0.173162|0.215070|0.500000| |3.440149|6.129503|5.171011|7.056309|6.842372|5.017136|4.062746|4.021519|4.793457|6.510237|7.094988|12.387207|0.225420|5.629244|4.905301|5.486722|8.799977|17.671238|4.038026|3.851820|6.647310|4.740711|3.421046|5.346477|5.137549|3.088541|3.478200|0.103434|2.860378|2.803583|3.509026|7.368297|3.167409|2.635351|2.270228|2.246274|2.570111|4.221461|0.093155|0.084099|0.089397|0.121103|0.094555|0.093250|0.116539|0.189603|0.143710|0.180032|0.126910|0.144454|0.128411|0.108028|0.140684|0.214710|0.215428|0.301010|0.500000| |2.019285|3.029524|2.497027|2.631459|2.359323|2.159145|1.927777|1.865533|1.987415|2.236059|2.927444|5.165308|0.112920|4.165233|6.069585|6.248188|5.157208|3.832582|8.845158|5.895052|7.748866|8.341400|9.395711|13.227141|26.031974|4.280698|3.622836|0.094142|2.906710|2.950771|3.351510|7.065340|6.917097|6.552459|4.571792|3.805153|3.940820|6.687452|0.055932|0.050651|0.057281|0.070456|0.050116|0.047618|0.052421|0.064336|0.078871|0.075436|0.105476|0.100152|0.204893|0.157693|0.133396|0.161836|0.125251|0.094079|0.094128|0.500000| |1.700012|2.505392|1.924863|2.036993|2.000002|1.877589|1.779890|1.788510|1.891702|2.006125|2.105430|3.393369|0.071076|2.445542|2.881954|3.498168|3.629507|2.850270|4.381439|5.751183|8.678693|12.717393|7.469340|13.612465|6.707430|17.647349|8.783748|0.174089|7.097231|6.484474|5.727551|12.158891|3.658391|3.703400|3.021218|2.612234|2.627286|4.095360|0.048677|0.043424|0.046545|0.051998|0.046750|0.047094|0.051564|0.057242|0.054546|0.056592|0.061394|0.064411|0.082163|0.074719|0.088880|0.107021|0.111925|0.073845|0.076918|0.116171|0.500000| |1.624478|2.422021|1.867204|2.017344|1.998562|1.843381|1.752788|1.792958|1.933761|2.052833|2.117230|3.397201|0.069003|2.483508|2.906388|3.678037|3.699592|2.922560|4.603205|7.000353|12.137382|12.531307|5.810023|9.006217|6.086439|17.611137|8.826519|0.220397|6.514181|4.869660|4.465672|10.177527|3.974505|3.896112|3.229538|2.860891|2.923793|4.565807|0.046065|0.041848|0.044196|0.049996|0.045615|0.047265|0.053519|0.059749|0.054486|0.058166|0.061470|0.067257|0.079287|0.076360|0.098554|0.101504|0.119197|0.078523|0.077559|0.103693|0.301005|0.500000| |1.609858|2.359445|1.762798|1.870061|1.908393|1.812620|1.773523|1.824453|1.921404|1.968567|1.882031|2.910371|0.060018|2.038956|2.260781|2.694591|2.931715|2.485619|3.016663|3.841114|6.781446|6.366428|3.858494|6.842044|4.228064|7.210820|8.683620|0.191282|17.574807|8.656850|5.713168|10.366102|2.617186|2.563529|2.235761|2.041510|2.086429|3.168093|0.046539|0.041623|0.043335|0.046831|0.046787|0.049001|0.053459|0.055825|0.048287|0.051404|0.051457|0.054971|0.062975|0.058616|0.071829|0.083412|0.093709|0.066169|0.069716|0.076102|0.201231|0.196376|0.500000| |1.780240|2.629805|1.937883|2.071491|2.166943|2.060600|2.043096|2.132431|2.250528|2.270465|2.045429|3.132404|0.064352|2.128862|2.298640|2.748947|3.153714|2.745610|2.908737|3.628558|6.570537|5.628688|3.481843|6.017063|4.004605|5.562480|8.827817|0.223774|17.566441|8.803988|6.812346|11.916202|2.465385|2.333050|2.039316|1.903715|1.989956|3.051885|0.051834|0.045986|0.047259|0.050675|0.053594|0.057476|0.062978|0.063935|0.051687|0.056004|0.053389|0.057553|0.063630|0.058582|0.073623|0.089172|0.103648|0.073060|0.079439|0.071882|0.141899|0.143597|0.302165|0.500000| |1.767170|2.552826|1.903669|1.969212|1.977049|1.916201|1.856764|1.855698|1.908994|1.970982|1.953759|3.047152|0.064972|2.108485|2.357916|2.715845|3.012035|2.531871|3.045016|3.572717|5.780562|6.309529|4.465698|8.982381|4.678711|6.131477|6.761654|0.137169|8.780210|17.568010|8.823603|11.914802|2.578111|2.559087|2.194994|1.968789|1.996756|3.050762|0.051764|0.045081|0.048016|0.051167|0.049546|0.049492|0.051819|0.054735|0.050520|0.052017|0.053895|0.055256|0.068329|0.060360|0.069277|0.091646|0.091727|0.064864|0.071848|0.086101|0.212562|0.138096|0.216604|0.173803|0.500000| |1.810010|2.602498|1.898446|1.961356|2.021272|1.985521|1.968728|1.989068|2.023517|2.039606|1.903581|2.899026|0.061431|1.964118|2.125673|2.427791|2.766554|2.429314|2.589134|3.000520|5.078669|4.873984|3.378014|6.388922|3.816731|4.485689|5.707200|0.128282|8.678897|17.593809|8.721428|10.366425|2.210421|2.149564|1.881633|1.729883|1.776213|2.697837|0.053632|0.046419|0.048502|0.050387|0.052826|0.053747|0.055284|0.056000|0.048854|0.050950|0.050309|0.051945|0.060882|0.054201|0.063047|0.082770|0.085218|0.062776|0.070897|0.070783|0.133920|0.108640|0.194116|0.218002|0.302068|0.500000| |2.261558|3.296346|2.454978|2.514436|2.509736|2.451999|2.333382|2.277784|2.320652|2.432081|2.435635|3.869181|0.085367|2.555749|2.827432|3.220363|3.874766|3.239429|3.406834|3.745922|5.879385|6.302174|4.896320|9.555822|5.437425|5.008372|6.063807|0.132949|5.766227|8.689329|17.612252|16.619906|2.725145|2.591599|2.185876|1.987502|2.067112|3.235983|0.067236|0.056289|0.061260|0.065568|0.061954|0.059587|0.061320|0.066219|0.062141|0.063152|0.064991|0.065172|0.084206|0.069629|0.079035|0.127778|0.115095|0.079017|0.095129|0.099653|0.147218|0.109642|0.127511|0.137636|0.221165|0.191816|0.500000| |2.317853|3.418740|2.483145|2.592425|2.707928|2.646458|2.593277|2.603967|2.659908|2.711739|2.458785|3.804495|0.081625|2.454478|2.616649|3.031627|3.773949|3.316307|3.062824|3.480929|5.821008|5.446775|3.829901|6.857685|4.504072|4.514683|6.412640|0.152250|6.652414|8.772846|17.544069|16.565460|2.480936|2.311095|1.986160|1.848747|1.950109|3.041929|0.069376|0.058235|0.061197|0.064541|0.068327|0.068782|0.071115|0.073362|0.061543|0.064873|0.061856|0.064015|0.075205|0.064425|0.077080|0.116798|0.118427|0.082657|0.101381|0.081801|0.122063|0.104444|0.135457|0.183743|0.174612|0.220003|0.300566|0.500000| |1.609863|2.389177|1.923681|2.044664|1.895224|1.738836|1.593676|1.576242|1.688305|1.858801|2.264983|3.746138|0.077261|3.072329|4.063002|4.507342|3.623020|2.870523|6.885252|5.843516|8.202751|7.988114|6.625922|9.866716|9.931979|4.350261|3.347947|0.088660|2.764371|2.658542|2.771948|5.783649|8.851617|17.753192|8.921565|5.668017|5.047038|7.756811|0.044588|0.041280|0.045234|0.053665|0.041627|0.040888|0.045575|0.054215|0.061189|0.060968|0.078530|0.080496|0.114944|0.118964|0.113622|0.101550|0.097199|0.075816|0.071419|0.207597|0.118408|0.117097|0.076515|0.068055|0.078822|0.064284|0.078432|0.067912|0.500000| |1.376412|2.025429|1.623459|1.720146|1.602025|1.475398|1.363385|1.355271|1.450354|1.583717|1.912162|3.023157|0.061156|2.526092|3.102607|3.225271|2.639224|2.259348|4.072084|3.669090|5.941438|4.732936|3.576944|5.789656|5.267308|2.942152|2.428614|0.066368|2.114751|2.016181|2.056378|4.135813|5.664748|8.913079|17.726913|8.898389|5.678891|6.765998|0.037831|0.035790|0.038754|0.045486|0.035776|0.035416|0.039491|0.046388|0.052580|0.052435|0.066586|0.068727|0.084582|0.096168|0.087988|0.071818|0.071199|0.061763|0.056666|0.111963|0.080093|0.083853|0.059617|0.053693|0.058976|0.050360|0.057559|0.052011|0.214852|0.500000| |1.348189|2.000470|1.613817|1.734375|1.612983|1.466752|1.352558|1.354326|1.466139|1.610718|1.967885|3.049792|0.059932|2.627669|3.092998|3.140288|2.521590|2.253845|3.577774|3.200184|5.549414|3.853697|2.794829|4.443208|4.251870|2.437589|2.122819|0.060030|1.852193|1.742791|1.799355|3.629531|5.025196|5.650694|8.866068|17.747130|8.905335|7.761036|0.036646|0.035346|0.037853|0.045051|0.035284|0.035332|0.040156|0.047867|0.054493|0.055207|0.069540|0.074660|0.079848|0.100061|0.091407|0.066114|0.067694|0.063688|0.055845|0.087970|0.064257|0.070091|0.051685|0.048256|0.049682|0.044072|0.049752|0.046596|0.123992|0.212202|0.500000| 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