Version2.0 2020-03-02T07:00:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Jan-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCC(CC1)N2CC(=O)N3[C@H](C2=O)CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c6cc(ccc6OC)OC C63137682 RHF 6-31G(d) (6D,7F) CC1CCC(CC1)N2CC(=O)N3[C@H](C2=O)CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c6cc(ccc6OC)OC C01[X(C29H34N3O4)] 204 C1 608 COc1ccc(cc1[C@@H]1N2C(=O)CN(C(=O)[C@@H]2CC2=c3c(=[NH+][C@H]12)cccc3)C1CCC(CC1)C)OC COc1ccc(cc1[C@@H]1N2C(=O)CN(C(=O)[C@@H]2CC2=c3c(=[NH+][C@H]12)cccc3)C1CCC(CC1)C)OC COc1ccc(OC)c(c1)[C@H]2[C@H]3[NH+]=C4C=CC=CC4=C3C[C@@H]5N2C(=O)CN(C6CCC(C)CC6)C5=O InChIKey=UWLGIEOEIRVGES-PFZQVRLKSA-O InChI=1S/C29H33N3O4/c1-17-8-10-18(11-9-17)31-16-26(33)32-24(29(31)34)15-21-20-6-4-5-7-23(20)30-27(21)28(32)22-14-19(35-2)12-13-25(22)36-3/h4-7,12-14,17-18,24,27-28H,8-11,15-16H2,1-3H3/p+1/t17?,18?,24-,27-,28-/m0/s1 InChI=1/C29H33N3O4/c1-17-8-10-18(11-9-17)31-16-26(33)32-24(29(31)34)15-21-20-6-4-5-7-23(20)30-27(21)28(32)22-14-19(35-2)12-13-25(22)36-3/h4-7,12-14,17-18,24,27-28H,8-11,15-16H2,1-3H3/p+1/t17?,18?,24-,27-,28-/m0/s1/fC29H34N3O4/h30H/q+1 CC1CCC(CC1)N2CC(=O)N3[C@H](C2=O)CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c6cc(ccc6OC)OC C01[X(C29H34N3O4)] 204 C01 608 COc1ccc(cc1[C@@H]1N2C(=O)CN(C(=O)[C@@H]2CC2=c3c(=[NH+][C@H]12)cccc3)C1CCC(CC1)C)OC COc1ccc(cc1[C@@H]1N2C(=O)CN(C(=O)[C@@H]2CC2=C3[C@@H](N[C@H]12)C=CC=C3)[C@@H]1CC[C@H](CC1)C)OC COc1ccc(OC)c(c1)[C@H]2[C@H]3N[C@H]4C=CC=CC4=C3C[C@@H]5N2C(=O)CN([C@@H]6CC[C@@H](C)CC6)C5=O InChIKey=RIFLJEWLBDHOCG-IQXRLPOBSA-N InChI=1S/C29H35N3O4/c1-17-8-10-18(11-9-17)31-16-26(33)32-24(29(31)34)15-21-20-6-4-5-7-23(20)30-27(21)28(32)22-14-19(35-2)12-13-25(22)36-3/h4-7,12-14,17-18,23-24,27-28,30H,8-11,15-16H2,1-3H3/t17-,18-,23-,24-,27-,28-/m0/s1 InChI=1/C29H35N3O4/c1-17-8-10-18(11-9-17)31-16-26(33)32-24(29(31)34)15-21-20-6-4-5-7-23(20)30-27(21)28(32)22-14-19(35-2)12-13-25(22)36-3/h4-7,12-14,17-18,23-24,27-28,30H,8-11,15-16H2,1-3H3/t17-,18-,23-,24-,27-,28-/m0/s1 4048.3516045544 -1580.5967497 1-A 19473.1864 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| -20.68580 -20.67509 -20.63955 -20.62696 -15.75607 -15.71453 -15.69133 -11.47185 -11.46038 -11.45500 -11.43988 -11.43240 -11.41295 -11.41269 -11.40977 -11.39332 -11.39305 -11.39207 -11.38423 -11.37792 -11.37768 -11.37599 -11.37269 -11.36868 -11.36006 -11.35001 -11.34339 -11.33375 -11.32860 -11.32657 -11.29641 -11.29438 -11.28708 -11.28407 -11.28341 -11.26557 -1.51519 -1.50625 -1.50486 -1.49854 -1.47056 -1.38976 -1.35464 -1.29573 -1.26051 -1.25548 -1.20334 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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 1.00783 1.00783 1.00783 10115.3362 28313.4815 30237.8409 0.99999 0.00294 -0.00265 -0.00289 0.99978 0.02065 0.00271 -0.02065 0.99978 1 0.00856 0.00306 0.00286 0.17842 0.06374 0.05968 24.95 30.92 40.44 52.62 66.99 78.70 96.12 106.38 116.13 130.83 135.60 154.61 181.29 186.19 230.51 239.51 251.04 262.77 288.76 307.66 331.54 337.24 351.22 369.52 375.93 388.35 410.26 426.00 442.14 447.03 456.92 481.82 558.45 563.28 606.67 651.25 661.75 670.17 678.66 698.92 711.59 742.75 746.51 758.13 768.00 782.41 802.07 832.57 844.67 852.62 882.79 893.98 910.95 935.69 967.06 983.98 1026.57 1062.19 1100.40 1111.56 1146.88 1157.08 1183.57 1186.77 1202.68 1223.39 1238.61 1242.44 1242.67 1303.84 1327.04 1359.06 1366.81 1373.98 1397.07 1404.29 1425.85 1452.71 1460.05 1489.94 1501.70 1518.36 1534.94 1553.26 1555.37 1572.77 1584.81 1593.34 1612.67 1617.27 1618.92 1625.84 1664.17 1666.55 1686.00 1693.94 1704.63 1730.99 1735.62 1748.32 1766.33 1786.74 1800.52 1829.15 1844.54 1849.89 1859.93 1862.29 1863.17 1872.32 1886.82 1895.48 1909.94 1919.60 1934.68 1959.21 1963.86 1977.33 1991.41 1995.18 2016.54 2023.95 2032.49 2039.96 2049.99 2082.54 2094.76 2111.30 2113.05 2114.97 2127.20 2142.36 2169.43 2181.09 2196.89 2200.20 2208.13 2212.40 2216.62 2232.84 2234.81 2253.16 2256.94 2263.81 2288.97 2299.33 2305.39 2333.18 2336.86 2344.33 2350.33 2357.15 2359.02 2362.93 2363.57 2366.01 2366.28 2374.96 2376.04 2384.81 2386.00 2390.10 2423.42 2511.37 2544.84 2565.12 2625.93 2658.82 2777.90 2839.94 4552.90 4556.17 4587.02 4592.47 4594.47 4599.51 4605.37 4607.00 4613.71 4628.33 4649.82 4657.23 4663.37 4667.07 4669.50 4682.03 4694.52 4701.89 4725.46 4746.59 4764.33 4780.38 4798.24 4799.46 4812.57 4827.86 4867.78 4876.00 4889.50 4905.05 4907.91 4915.29 4916.73 5497.96 0.638587 0.668739 0.669683 0.575699 -1579.958163 -1579.928011 -1579.927066 -1580.021050 3.152239D-04 MUNgauss RevisionA2.0 retrievium 02-Mar-2020 DUDE CC1CCC(CC1)N2CC(=O)N3[C@H](C2=O)CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c6cc(ccc6OC)OC C63137682 RHF 6-31G(d) (6D,10F) C1 488.254932 |X|Y|Z| 58.724377 49.588025 116.471372 69.738319 29 6 7 26 3 |36.858105| |12.462418|36.858105| |7.523263|12.417587|36.858105| |4.881711|7.480460|12.430244|36.858105| |4.349954|6.419064|7.564695|12.441684|36.858105| |4.882788|7.482957|6.453855|7.525520|12.440748|36.858105| |7.524441|12.417312|7.575355|6.452660|7.565195|12.431241|36.858105| |3.274041|4.373192|4.964019|7.646754|12.897330|7.637092|4.961687|53.358707| |2.966547|3.891363|4.164377|6.001407|7.541992|6.295881|4.258187|17.903153|36.858105| |2.450656|3.047814|3.330364|4.520474|5.021527|4.216936|3.203922|10.447932|12.603901|36.858105| |2.279420|2.782534|2.997043|3.899010|4.042359|3.580053|2.845443|7.308054|8.064532|15.936522|73.516695| |2.243556|2.722116|3.015423|3.962368|4.505167|3.694497|2.893041|9.322527|7.789487|13.930034|15.051569|53.358707| |2.321656|2.810859|3.099666|4.002466|4.978409|4.018352|3.107251|10.611762|6.912944|7.805220|9.549386|17.670329|36.858105| |2.236290|2.685248|2.853010|3.559382|4.521827|3.960848|3.046466|9.010643|6.367898|6.708239|8.736138|12.328322|17.472128|0.500000| |2.811981|3.526027|4.004463|5.450972|7.812295|5.438897|4.000259|19.341186|7.873573|6.631029|8.343709|10.423449|12.411654|0.249816|36.858105| |2.810823|3.423849|3.926878|4.952970|6.834767|4.919445|3.911056|11.472952|5.363898|4.698766|6.472220|7.360399|8.084816|0.185082|15.855459|73.516695| |2.072757|2.428030|2.704003|3.320421|3.891504|3.195181|2.635797|7.031371|4.504369|5.076383|7.139185|10.390966|12.413697|0.246993|7.674155|12.761845|36.858105| |1.809923|2.085873|2.290534|2.750313|3.080252|2.640112|2.226284|5.339231|3.764961|4.554927|6.900307|9.194189|7.631142|0.184058|5.004303|8.192691|12.800975|36.858105| |1.627217|1.840708|2.015700|2.354116|2.568256|2.239637|1.943039|4.222306|2.982470|3.500193|5.584709|6.344132|4.977784|0.126594|3.777791|6.514535|7.331172|14.073718|36.858105| |1.554876|1.734234|1.903701|2.174792|2.350642|2.056980|1.823843|3.718521|2.559000|2.871355|4.617021|4.918491|3.969309|0.101821|3.303642|6.011166|5.702671|7.426570|13.214030|36.858105| |1.407158|1.552051|1.692679|1.904792|2.024936|1.799948|1.618421|3.138044|2.197649|2.457098|4.058540|4.050273|3.139074|0.082115|2.689370|4.862711|4.096425|5.142435|7.968587|14.201738|36.858105| |1.329296|1.465717|1.587674|1.787911|1.885148|1.693665|1.521089|2.930047|2.108760|2.400372|4.058567|3.906008|2.898049|0.076735|2.451413|4.314864|3.573229|4.661948|6.896484|7.864312|13.163885|36.858105| |1.364205|1.516095|1.637339|1.864993|1.970398|1.773314|1.574726|3.115913|2.293759|2.684352|4.589456|4.416334|3.163945|0.084157|2.588815|4.433601|3.801391|5.309261|7.662154|6.604441|7.704081|14.063515|36.858105| |1.506814|1.696928|1.839905|2.136115|2.290848|2.037209|1.776067|3.733446|2.755177|3.316421|5.544339|5.768689|4.117695|0.108252|3.172895|5.322810|5.122603|8.473040|13.193503|7.629281|6.807570|8.073368|13.440938|36.858105| |1.564199|1.778705|1.917082|2.255427|2.427960|2.171268|1.865000|4.047380|3.107911|3.920211|6.665525|6.911077|4.568203|0.121937|3.372850|5.429495|5.148456|8.304802|8.412710|5.280151|4.649870|5.257407|7.719027|14.483011|53.358707| |1.501160|1.701142|1.823347|2.133005|2.264380|2.049004|1.770418|3.725858|2.930372|3.715938|6.619238|6.164700|3.912927|0.105555|3.003435|4.813441|4.151078|5.870878|5.916718|4.231069|3.945240|4.631715|6.780453|9.242627|25.925357|0.500000| |1.763047|2.040730|2.209032|2.667433|2.951834|2.593722|2.166990|5.181207|3.993204|5.269692|8.344979|10.677750|6.910287|0.180336|4.472449|6.872340|7.452278|12.798863|8.216043|5.082791|4.108235|4.161967|5.210822|8.407472|17.989620|0.246010|36.858105| |1.759095|2.037190|2.163632|2.593288|2.937672|2.655231|2.199072|5.158228|4.056752|5.149503|8.114940|9.657821|6.800790|0.206950|4.403627|6.723587|6.585672|9.041374|6.360756|4.363163|3.611057|3.647722|4.441439|6.439368|12.488132|0.200711|17.496583|0.500000| |1.927377|2.270621|2.491001|3.111326|3.359644|2.884186|2.370552|6.115978|5.049777|7.963051|12.743889|17.693722|7.391135|0.173828|4.947486|7.123548|6.412635|7.616914|5.463740|3.947222|3.313772|3.342884|4.003717|5.507883|10.221675|0.187072|12.322239|0.246084|36.858105| |1.864844|2.190661|2.357201|2.907178|3.114686|2.771433|2.283540|5.527246|4.881336|7.763219|14.709704|12.596358|5.795808|0.150828|4.210958|6.112313|4.863986|5.607045|4.407111|3.329105|2.903210|3.004690|3.627663|4.725353|9.034957|0.186711|8.947714|0.223411|17.694025|0.500000| |1.857253|2.161723|2.422101|2.990007|3.049205|2.582338|2.191045|5.226657|4.129959|5.903455|10.418390|10.347235|5.266497|0.121837|4.120651|6.269900|5.178487|6.068743|5.095799|3.899600|3.383605|3.460144|4.102521|5.296403|8.763911|0.171008|7.454573|0.152717|12.522476|0.250169|36.858105| |1.974178|2.298977|2.658801|3.309479|3.266042|2.667188|2.291803|5.466244|4.041433|5.301005|8.876977|8.896811|5.056157|0.112125|4.336840|6.790368|5.193436|5.429537|4.706851|3.895164|3.350417|3.274562|3.640131|4.462799|6.517003|0.123479|5.482398|0.119578|7.486339|0.159293|13.808421|36.858105| |1.844163|2.104696|2.439115|2.924064|2.786058|2.321130|2.057259|4.388527|3.222910|3.939223|6.927535|6.040713|3.715667|0.086725|3.389494|5.549759|3.893873|4.091901|3.883328|3.450323|3.128922|3.100644|3.353971|3.806900|5.306624|0.104427|4.073176|0.093048|4.977360|0.118073|7.884760|13.668011|36.858105| |1.653201|1.863597|2.110431|2.471176|2.368564|2.038631|1.823101|3.683761|2.785350|3.402161|6.265910|5.073337|3.119821|0.075765|2.807000|4.606762|3.243138|3.567306|3.522477|3.135050|2.972959|3.093220|3.416383|3.707044|5.221088|0.108062|3.735023|0.086528|4.420542|0.111683|6.831038|7.939857|13.757968|36.858105| |1.582611|1.788272|1.986083|2.329756|2.282383|2.000424|1.771264|3.609667|2.816356|3.552636|6.758620|5.313405|3.170685|0.078635|2.747212|4.434866|3.242530|3.737850|3.682809|3.140161|2.998730|3.252825|3.798679|4.155892|6.205420|0.136427|4.222185|0.097098|5.037782|0.133304|7.930389|6.918229|7.950779|13.715075|36.858105| |1.662379|1.902476|2.099108|2.510087|2.522204|2.207375|1.913342|4.134507|3.307616|4.439104|8.499166|6.918982|3.872022|0.095713|3.176662|4.986292|3.868741|4.643028|4.335520|3.450603|3.180924|3.441268|4.205379|5.015259|8.349814|0.187661|5.802673|0.127601|7.595420|0.201788|13.647048|7.968141|6.859778|7.919355|13.836174|36.858105| |1.559268|1.775701|1.917818|2.263654|2.313594|2.082543|1.804590|3.775697|3.090455|4.093212|8.056326|6.196213|3.553619|0.092383|2.881753|4.523631|3.484072|4.266970|4.024988|3.181206|2.988802|3.340690|4.242817|4.975899|9.087643|0.242573|5.785825|0.135529|6.824458|0.215723|7.984149|5.233778|4.590406|5.198857|7.963663|13.873566|73.516695| |1.539840|1.750411|1.868990|2.189784|2.210268|2.027596|1.765666|3.546132|2.987811|3.883148|8.189023|5.378326|3.098657|0.082121|2.611241|4.085013|2.916590|3.357205|3.130011|2.581560|2.444763|2.686112|3.256795|3.661914|6.283328|0.156470|4.339895|0.110227|5.256495|0.179986|5.708714|4.213735|3.849868|4.371455|6.174203|8.057474|23.833286|36.858105| |1.920773|2.173801|2.575615|3.037399|2.815638|2.316545|2.093499|4.265867|3.009282|3.456568|5.936987|5.167634|3.385462|0.079194|3.283057|5.565478|3.582899|3.553759|3.407262|3.202312|2.912981|2.793038|2.895697|3.206879|4.331981|0.084228|3.364633|0.079520|3.921864|0.094436|5.296228|8.230895|14.188922|7.872429|5.205757|4.628173|6.170720|3.043754|73.516695| |1.773434|1.965875|2.303906|2.615226|2.397322|2.025472|1.872257|3.515733|2.501945|2.797585|4.915141|4.056573|2.709236|0.065437|2.661368|4.584135|2.851278|2.859866|2.824700|2.734849|2.583430|2.510507|2.561742|2.723117|3.644305|0.072236|2.742411|0.066417|3.095667|0.077492|3.976531|5.261051|8.007354|6.703013|4.505360|3.789141|5.308439|2.700104|24.104793|36.858105| |17.549718|8.775413|6.861732|4.523204|3.809197|4.046107|5.473130|4.053209|2.748969|2.326501|3.904476|2.896606|2.166098|0.057535|2.577259|4.556165|1.951804|1.723461|1.560279|1.493854|1.359998|1.289533|1.322807|1.453412|2.051358|0.040358|1.684955|0.046392|1.851544|0.049867|1.810086|1.934589|1.831467|1.647997|1.568866|1.632392|2.712772|1.513543|3.414729|1.793194|0.500000| |17.549867|8.774587|5.472497|4.045203|3.809280|4.524249|6.862591|4.052784|2.767381|2.295307|3.826919|2.854140|2.167928|0.058882|2.576514|4.550757|1.933505|1.703903|1.536042|1.465974|1.332160|1.263804|1.299063|1.430828|2.026797|0.039827|1.671742|0.046703|1.815484|0.049219|1.736585|1.821784|1.700866|1.540409|1.487817|1.566542|2.638473|1.473515|3.118299|1.625342|0.301779|0.500000| |17.532076|8.776959|6.796537|4.513518|4.176015|4.513890|6.797383|4.293946|2.781679|2.325825|3.811003|2.960404|2.290360|0.061206|2.792525|5.106519|2.078720|1.803963|1.629884|1.572516|1.421918|1.333824|1.359408|1.497955|2.098482|0.040902|1.734371|0.047991|1.873317|0.049943|1.808051|1.932834|1.809418|1.616732|1.541390|1.615374|2.687901|1.480711|3.375491|1.755515|0.301566|0.301570|0.500000| |8.925585|17.471908|8.917367|6.856436|5.721902|6.860352|8.917902|5.735730|4.025013|3.146743|5.225771|3.714838|2.737341|0.073013|3.329520|5.561426|2.335900|2.038880|1.797568|1.678487|1.508972|1.438580|1.498974|1.677326|2.416354|0.047539|2.032011|0.056480|2.290444|0.062266|2.179888|2.292260|2.100815|1.877281|1.814250|1.932979|3.224591|1.811185|3.813920|1.945485|0.213449|0.213439|0.173561|0.500000| |6.890300|8.811596|17.544878|8.851477|5.511316|4.839914|5.505777|5.596444|3.644982|3.057051|5.036107|3.765926|2.769259|0.070621|3.420748|5.936199|2.460804|2.130465|1.898760|1.800074|1.616623|1.525253|1.571729|1.750827|2.478847|0.048469|2.069091|0.055873|2.344866|0.061985|2.332160|2.579179|2.423035|2.109586|1.967825|2.049030|3.314435|1.829922|4.604513|2.359198|0.206228|0.140872|0.168612|0.214931|0.500000| |6.937568|8.846622|17.495926|8.847748|6.820668|5.667358|6.819825|6.265550|3.708005|3.047760|4.829623|3.901431|3.036791|0.077508|3.969315|7.330289|2.727399|2.285593|2.026816|1.942279|1.723402|1.599545|1.633157|1.828691|2.560027|0.049356|2.159082|0.058601|2.385899|0.062015|2.326794|2.576775|2.376310|2.047380|1.914927|2.014905|3.266332|1.770871|4.522517|2.282670|0.171963|0.141005|0.205636|0.174308|0.303675|0.500000| |4.508267|6.744950|8.866486|17.513051|8.792145|6.753993|5.654754|9.384027|6.536929|4.897981|7.824958|5.461755|3.814688|0.095406|4.816264|7.425501|3.111231|2.658500|2.276927|2.077403|1.834932|1.747008|1.841697|2.107417|3.074782|0.060093|2.660728|0.072035|3.184540|0.084622|3.066752|3.328491|2.948015|2.528311|2.408511|2.602216|4.193278|2.325483|5.331102|2.597030|0.119843|0.107587|0.110823|0.202245|0.216216|0.173943|0.500000| |4.061528|5.466135|8.801810|17.545439|8.855324|5.496605|4.847286|9.581838|5.447416|4.529832|6.931482|5.654272|4.155196|0.098758|5.591914|9.245629|3.566968|2.937351|2.522496|2.341476|2.041693|1.904493|1.978242|2.268541|3.229323|0.062009|2.799311|0.073898|3.290881|0.083451|3.271265|3.789323|3.362763|2.756756|2.537265|2.705298|4.234876|2.272021|6.394571|3.035384|0.108466|0.094578|0.108495|0.140225|0.212180|0.215003|0.302905|0.500000| |4.218995|5.733631|6.925554|8.942408|17.664041|8.940066|6.926739|12.719070|5.655056|4.237799|6.137087|5.584225|4.824022|0.121399|7.870080|14.951668|4.016603|3.097088|2.609135|2.438012|2.087046|1.912695|1.971933|2.282482|3.227063|0.060820|2.860843|0.078752|3.141068|0.079597|2.880466|3.129559|2.697165|2.283050|2.180987|2.388969|3.885526|2.060805|4.930692|2.369808|0.101846|0.101851|0.119288|0.133687|0.141501|0.204710|0.174196|0.216526|0.500000| |4.512860|6.756575|5.664349|6.764621|8.799482|17.509374|8.869165|9.374970|6.946901|4.499519|6.997774|5.064586|3.828398|0.105919|4.806876|7.386930|3.001503|2.552917|2.167165|1.968435|1.735629|1.654060|1.748481|2.007066|2.953224|0.057528|2.583202|0.073838|2.929941|0.080081|2.612070|2.651220|2.309275|2.051695|2.034056|2.254182|3.814894|2.124448|4.041835|1.995268|0.107708|0.119933|0.110899|0.202742|0.126769|0.131206|0.198167|0.139111|0.174237|0.500000| |4.062622|5.467398|4.845375|5.492714|8.841038|17.534712|8.806066|9.553430|5.828494|4.045043|6.044214|4.996886|4.182611|0.120101|5.563823|9.119425|3.315637|2.720957|2.298451|2.109618|1.838160|1.724142|1.804050|2.079237|3.013345|0.057686|2.659278|0.077107|2.874675|0.076766|2.515980|2.556051|2.210557|1.954869|1.937218|2.154700|3.657924|1.990275|3.886451|1.911726|0.094598|0.108525|0.108494|0.140321|0.106700|0.127069|0.138908|0.123566|0.216083|0.302549|0.500000| |6.935643|8.844181|6.819167|5.668064|6.823241|8.848406|17.497910|6.264501|3.777651|2.946105|4.617942|3.751823|3.044832|0.082786|3.965976|7.297977|2.654765|2.219215|1.949988|1.854219|1.641992|1.528707|1.568439|1.763408|2.490278|0.047937|2.118284|0.059564|2.275130|0.060198|2.111653|2.226242|2.006415|1.772181|1.712717|1.842358|3.080775|1.678590|3.663316|1.846585|0.140978|0.171919|0.205565|0.174292|0.139773|0.201074|0.131079|0.127171|0.204825|0.173956|0.214976|0.500000| |6.891376|8.810967|5.505697|4.838976|5.511827|8.853392|17.545573|5.593539|3.753574|2.894206|4.662339|3.551991|2.778573|0.077363|3.416377|5.906894|2.374457|2.043985|1.797901|1.688506|1.510070|1.427974|1.480188|1.659527|2.377371|0.046323|2.010986|0.057240|2.179460|0.059094|2.006257|2.067987|1.867618|1.678372|1.644998|1.776018|3.014723|1.672535|3.352494|1.702487|0.140888|0.206262|0.168633|0.214936|0.123295|0.139789|0.126566|0.106724|0.141528|0.216138|0.212499|0.303670|0.500000| |2.835579|3.647117|3.669533|4.831332|6.260783|6.247511|4.182484|12.282509|17.499849|9.025758|12.059734|8.754408|6.166039|0.180912|6.538914|8.479365|4.121797|3.530674|2.823859|2.426216|2.097933|2.024117|2.206420|2.636637|4.072091|0.078775|3.810220|0.112988|4.540371|0.127220|3.612272|3.420356|2.790097|2.478942|2.551294|2.999730|5.170264|2.845302|4.618934|2.205477|0.072205|0.075303|0.073840|0.105479|0.089271|0.091978|0.143692|0.119471|0.137694|0.200469|0.175854|0.102611|0.106810|0.500000| |3.221746|4.333594|4.615447|6.794243|7.262100|6.371809|4.476286|12.480344|17.694841|9.130333|13.581164|7.956335|5.065467|0.130154|5.813192|7.838718|3.679705|3.184567|2.617122|2.286682|1.998970|1.931383|2.090865|2.458475|3.742498|0.073374|3.381375|0.094044|4.271784|0.117898|3.750554|3.746783|3.108205|2.712959|2.716619|3.108362|5.145720|2.879350|5.232018|2.488851|0.083900|0.083120|0.081723|0.130821|0.114193|0.108511|0.239300|0.162416|0.145487|0.215678|0.150024|0.106048|0.109606|0.303761|0.500000| |2.131430|2.489127|2.852358|3.509523|3.966732|3.142983|2.646406|6.881584|4.235567|4.686606|6.727993|8.959307|8.806644|0.174825|7.310394|13.273483|17.579456|9.071925|6.578955|5.700623|4.122166|3.510673|3.620856|4.657178|6.120016|0.103803|5.870032|0.139003|5.629478|0.119665|5.191929|5.845797|4.408709|3.500971|3.346593|3.846718|5.902040|2.789934|7.491339|3.256272|0.056122|0.054600|0.059727|0.065949|0.072586|0.080925|0.089713|0.108948|0.116181|0.081191|0.088277|0.074619|0.065407|0.103917|0.099521|0.500000| |2.040487|2.362874|2.591051|3.088009|3.698928|3.126114|2.613646|6.335427|3.967271|4.170804|6.021638|7.618902|8.865264|0.223688|6.852518|13.078462|17.600336|8.916031|6.400626|5.584268|4.019374|3.407911|3.505615|4.502964|5.942041|0.099721|5.761462|0.155565|4.820716|0.109700|4.014882|4.034214|3.229104|2.762450|2.757847|3.199358|5.275282|2.541097|5.438979|2.519502|0.052972|0.053146|0.057433|0.062473|0.065023|0.073737|0.079308|0.090445|0.109678|0.080173|0.092520|0.074456|0.065818|0.104862|0.091292|0.305796|0.500000| |1.624810|1.809078|1.995598|2.267757|2.470740|2.145631|1.911591|3.862174|2.580829|2.815394|4.459039|4.777267|4.036490|0.102802|3.500150|6.641824|5.978232|6.557955|8.715659|17.740391|9.015059|5.583398|4.812779|5.491309|5.827430|0.098131|4.430730|0.109198|3.619361|0.084928|3.543323|3.678524|3.265690|2.894833|2.828992|3.075174|4.999609|2.342273|5.593115|2.688105|0.043204|0.042405|0.045994|0.048165|0.052113|0.057236|0.059286|0.068062|0.072569|0.056278|0.061315|0.054573|0.048906|0.067780|0.063965|0.174283|0.174749|0.500000| |1.352983|1.479235|1.611561|1.790020|1.892870|1.690848|1.538639|2.879280|2.000796|2.195230|3.636551|3.539825|2.762198|0.072605|2.446332|4.497155|3.517260|4.105167|5.631845|9.044955|17.755946|8.767958|5.585142|4.923539|5.015588|0.089847|3.358771|0.084116|2.820816|0.069629|2.895574|2.930998|2.805617|2.670088|2.644680|2.741675|4.580726|2.161375|4.780659|2.440186|0.036380|0.035594|0.038156|0.039804|0.042874|0.045870|0.047693|0.053268|0.054591|0.045116|0.047931|0.043608|0.039948|0.053155|0.050986|0.100210|0.098261|0.215193|0.500000| |1.240374|1.357319|1.464504|1.631875|1.707372|1.546827|1.402569|2.616137|1.888526|2.125927|3.634022|3.376334|2.491227|0.066435|2.156229|3.810154|2.977955|3.691505|4.965576|5.657165|8.799928|17.722055|9.096835|5.701554|5.715337|0.108251|3.404848|0.085041|2.848765|0.072683|2.975414|2.844275|2.770441|2.820610|2.951938|3.031876|5.290352|2.457289|4.503117|2.338250|0.033530|0.032835|0.034592|0.037050|0.039278|0.041007|0.044393|0.048143|0.048106|0.042048|0.043656|0.039173|0.036729|0.050537|0.048545|0.081998|0.079813|0.123976|0.215701|0.500000| |1.295240|1.434611|1.540032|1.745382|1.830276|1.664374|1.483940|2.873595|2.149425|2.518362|4.401288|4.029737|2.820972|0.075864|2.338261|3.972736|3.235044|4.306990|5.498581|4.814099|5.518351|8.946635|17.756466|8.757081|9.248472|0.191386|4.554395|0.111405|3.678869|0.096448|3.803329|3.314177|3.121246|3.304149|3.798481|4.138779|7.829691|3.414877|4.764434|2.417353|0.034994|0.034382|0.035723|0.039629|0.041267|0.042449|0.048294|0.051136|0.050495|0.045949|0.046914|0.040862|0.038953|0.057771|0.054982|0.085648|0.083098|0.105182|0.123129|0.216766|0.500000| |2.174852|2.567187|3.037535|3.895325|3.872045|3.025230|2.569656|6.624969|4.593321|5.765242|8.871507|9.958489|6.026820|0.125705|5.426867|8.437965|6.138152|5.635758|4.643750|3.936626|3.278366|3.080145|3.325293|4.094580|5.845712|0.107736|5.227727|0.117905|6.857363|0.144062|8.894880|17.760837|9.003166|5.677429|4.979940|5.644813|7.488639|3.543160|13.642073|4.903908|0.058806|0.055209|0.059428|0.070182|0.080668|0.082383|0.105762|0.128093|0.104043|0.082002|0.080036|0.069726|0.063384|0.104571|0.115978|0.208587|0.128905|0.107781|0.080628|0.074295|0.082958|0.500000| |1.566193|1.744132|1.970060|2.259602|2.144093|1.864753|1.693287|3.255135|2.442343|2.885000|5.319335|4.209309|2.671953|0.065886|2.462110|4.107792|2.784220|3.016875|3.039538|2.804410|2.726349|2.841424|3.057926|3.189449|4.392688|0.091379|3.105821|0.073905|3.540317|0.091494|4.934563|5.632840|8.870813|17.770270|8.952216|5.658038|7.496092|3.737049|12.450595|7.396804|0.043647|0.040581|0.042622|0.048785|0.055249|0.053288|0.064108|0.069797|0.057736|0.052074|0.049601|0.045851|0.043473|0.060979|0.066875|0.083564|0.067501|0.072621|0.069469|0.073767|0.083281|0.124475|0.500000| |1.464155|1.638705|1.799699|2.076327|2.034188|1.813927|1.621710|3.166229|2.479105|3.048915|5.865206|4.454661|2.729268|0.069290|2.392290|3.898837|2.784762|3.203788|3.227269|2.812982|2.763776|3.070540|3.581142|3.726461|5.511135|0.125454|3.623450|0.086198|4.114956|0.113649|5.647771|4.976158|5.653595|8.914938|17.726012|8.977569|12.924426|6.229417|7.448597|3.896426|0.040425|0.038447|0.039593|0.046321|0.049737|0.048221|0.059781|0.062077|0.054085|0.051416|0.048950|0.043563|0.042169|0.063474|0.066985|0.078901|0.067378|0.070332|0.068508|0.079415|0.103595|0.107992|0.216487|0.500000| |1.459502|1.649853|1.739687|2.016125|2.059722|1.921109|1.677879|3.282168|2.761187|3.485042|7.194963|4.825965|2.879116|0.078388|2.424876|3.819896|2.716376|3.141126|2.959962|2.454115|2.346123|2.604372|3.174114|3.510696|6.048603|0.154555|4.075972|0.108163|4.578887|0.158118|4.579563|3.505001|3.203923|3.559195|4.729399|5.861643|16.796336|17.641472|4.658361|2.354751|0.039733|0.039049|0.039024|0.047417|0.047143|0.045912|0.059238|0.057476|0.053547|0.055977|0.052895|0.044371|0.044510|0.074899|0.073541|0.071120|0.066961|0.061751|0.057772|0.066711|0.094357|0.084709|0.087068|0.136151|0.500000| |1.663274|1.910938|2.038464|2.419896|2.432587|2.231857|1.922842|3.940503|3.438963|4.612930|10.519140|6.022508|3.335152|0.088078|2.831342|4.345535|3.011402|3.346948|3.012186|2.487337|2.313640|2.476678|2.938147|3.375138|5.759990|0.135032|4.316378|0.111543|5.671878|0.206382|5.894689|4.384901|3.885058|4.198601|5.500228|7.235874|16.393291|17.593970|5.515040|2.716688|0.045385|0.044176|0.044118|0.055404|0.055384|0.053062|0.072560|0.069279|0.062008|0.065798|0.060399|0.050282|0.050512|0.090339|0.093099|0.079903|0.072440|0.063710|0.057131|0.062688|0.083331|0.104341|0.099133|0.144475|0.298568|0.500000| |1.477576|1.665692|1.783988|2.066206|2.050441|1.881433|1.661650|3.221781|2.668640|3.351604|6.974558|4.596569|2.722082|0.071639|2.360383|3.746329|2.603228|2.949362|2.816211|2.390771|2.300872|2.533661|3.009583|3.258511|5.283576|0.127687|3.610467|0.091387|4.265494|0.135713|4.928519|3.920739|3.819026|4.588662|6.573878|7.098351|16.383544|17.606636|5.407417|2.776417|0.040622|0.039243|0.039476|0.047910|0.049012|0.047003|0.060984|0.059859|0.053328|0.054641|0.050969|0.043954|0.043753|0.070139|0.072734|0.070588|0.063611|0.060550|0.057160|0.065432|0.088473|0.091186|0.112622|0.206479|0.299936|0.299222|0.500000| |1.622427|1.784686|2.058696|2.313084|2.166208|1.855634|1.718138|3.188660|2.276181|2.553151|4.492257|3.756801|2.537113|0.061995|2.447573|4.248580|2.729470|2.811530|2.867755|2.826114|2.738281|2.687005|2.708047|2.803100|3.673479|0.073040|2.685156|0.064858|2.938320|0.073790|3.757713|4.730180|6.991653|6.691162|4.547799|3.714866|5.268236|2.644441|16.420006|17.569051|0.045406|0.041597|0.044778|0.049003|0.058126|0.056980|0.063644|0.073246|0.059868|0.050738|0.049180|0.047279|0.043712|0.056565|0.062285|0.085771|0.067588|0.076240|0.072283|0.070254|0.071201|0.119583|0.223793|0.112261|0.064583|0.072281|0.076060|0.500000| |1.755175|1.943300|2.261581|2.557712|2.313994|1.978641|1.833709|3.376140|2.456694|2.753338|4.962014|3.879708|2.541336|0.062041|2.497420|4.241690|2.600706|2.619373|2.560852|2.441587|2.320126|2.295402|2.377106|2.521058|3.446642|0.069531|2.586843|0.063310|2.972626|0.076230|3.808508|4.801621|7.078328|6.718192|4.583742|3.758788|5.315477|2.784522|16.429785|17.574955|0.049634|0.044812|0.047851|0.054032|0.065062|0.061381|0.071987|0.081454|0.062630|0.054782|0.051594|0.049780|0.046545|0.060272|0.069006|0.080556|0.064016|0.066227|0.060766|0.059796|0.063350|0.121688|0.220404|0.112694|0.066962|0.078337|0.081106|0.298583|0.500000| 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