Version2.1 2021-01-08T17:05:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccn2c1nc3c(c2=O)cc(c([n+]3C[C@@H]4CCCO4)N)C(=O)NC[C@@H]5CCCO5 C02508754 RHF 6-31G(d) (6D,7F) Cc1cccn2c1nc3c(c2=O)cc(c([n+]3C[C@@H]4CCCO4)N)C(=O)NC[C@@H]5CCCO5 C01[X(C23H30N5O4)] 180 C1 540 O=C(c1cc2c([n+](c1N)C[C@@H]1CCCO1)nc1n(c2=O)cccc1C)NC[C@@H]1CCCO1 O=C(c1cc2c([n+](c1N)C[C@@H]1CCCO1)nc1n(c2=O)cccc1C)NC[C@@H]1CCCO1 Cc1ccc[nH]2C(=O)c3cc(C(=O)NC[C@@H]4CCCO4)c(N)[n+](C[C@@H]5CCCO5)c3Nc12 InChIKey=CGQDDUSUGBRZKH-HOTGVXAUSA-O InChI=1S/C23H29N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2,5,8,11,15-16,27H,3-4,6-7,9-10,12-13H2,1H3,(H3,24,25,26,29,30)/p+1/t15-,16-/m0/s1 InChI=1/C23H29N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2,5,8,11,15-16,27H,3-4,6-7,9-10,12-13H2,1H3,(H3,24,25,26,29,30)/p+1/t15-,16-/m0/s1/fC23H30N5O4/h25-26H,24H2/q+1 Cc1cccn2c1nc3c(c2=O)cc(c([n+]3C[C@@H]4CCCO4)N)C(=O)NC[C@@H]5CCCO5 C01[X(C23H30N5O4)] 180 C01 540 O=C(c1cc2c([n+](c1N)C[C@@H]1CCCO1)nc1n(c2=O)cccc1C)NC[C@@H]1CCCO1 C[C]1=[CH][CH]=C[NH]2[C]1[NH][C]1[C]([CH][C]([C]([NH2])N1C[C@@H]1CCCO1)[C]([NH]C[C@@H]1CCCO1)=O)C2=O CC1=CC=C[NH]2[C]1N[C]3[C]([CH][C]([C](N)N3C[C@@H]4CCCO4)C(=O)NC[C@@H]5CCCO5)C2=O InChIKey=OTQQYWZATSLUPQ-HOTGVXAUSA-N InChI=1S/C23H30N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2,5,8,11,15-16,27H,3-4,6-7,9-10,12-13,24H2,1H3,(H,25,29)(H,26,30)/t15-,16-/m0/s1 InChI=1/C23H30N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2,5,8,11,15-16,27H,3-4,6-7,9-10,12-13,24H2,1H3,(H,25,29)(H,26,30)/t15-,16-/m0/s1/f/h25-26H 3320.9784427216 -1459.8589437 1-A 18180.6823 117 423 540 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.69241 -20.69189 -20.64011 -20.63885 -15.80192 -15.79276 -15.74136 -15.73148 -15.68945 -11.52509 -11.50702 -11.49623 -11.47544 -11.42731 -11.42429 -11.42259 -11.38742 -11.38183 -11.37623 -11.36219 -11.35029 -11.34760 -11.34757 -11.34600 -11.34459 -11.33827 -11.33827 -11.32944 -11.30998 -11.30257 -11.29760 -11.27616 -1.55831 -1.52562 -1.51463 -1.50416 -1.46877 -1.44622 -1.40425 -1.35536 -1.34356 -1.28177 -1.20360 -1.20038 -1.17702 -1.17287 -1.14463 -1.13828 -1.11781 -1.08635 -1.06456 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0.2825 0.8556 0.6608 0.6555 0.8444 0.7530 0.7561 0.8410 0.8265 0.6514 0.7769 0.5679 0.7936 0.8287 0.8155 0.8056 0.7507 0.6108 0.7939 0.8479 0.7284 0.8562 0.8362 0.8543 0.8567 0.2029 0.5432 0.6097 0.8089 0.8301 0.6405 0.4164 0.8390 0.7743 0.5694 0.3803 0.6273 0.4514 0.0515 0.5188 0.2772 0.4316 0.7217 0.1577 0.4246 0.2132 0.7598 0.2497 0.6768 0.4130 0.4503 0.1220 0.5074 0.8149 0.7389 0.8510 0.5722 0.8569 0.6518 0.3846 0.5215 0.3889 0.2737 0.4895 0.2546 0.2185 0.5246 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 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 60 61 62 6 6 6 6 6 7 6 7 6 6 6 8 6 6 6 7 6 6 1 6 6 6 8 7 6 8 7 6 6 1 6 6 6 8 1 1 1 1 1 1 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 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9861.3328 23408.7533 31109.5165 0.99992 0.01266 0.00241 -0.01266 0.99992 -0.00269 -0.00244 0.00266 0.99999 1 0.00878 0.00370 0.00278 0.18301 0.07710 0.05801 13.83 36.71 42.55 57.38 67.10 75.02 78.60 86.00 99.66 114.50 136.30 159.98 166.62 202.67 214.10 224.27 268.35 280.72 311.96 322.81 347.89 386.59 401.32 421.99 442.07 469.45 483.83 494.65 549.05 574.62 582.47 644.55 665.02 681.40 701.99 713.60 731.92 750.83 774.30 791.55 831.25 854.18 878.81 900.85 923.13 931.84 945.19 992.36 1007.61 1051.47 1064.87 1075.47 1084.92 1103.97 1132.55 1174.95 1180.04 1189.46 1206.97 1233.05 1259.68 1273.77 1294.12 1317.34 1327.48 1353.90 1363.00 1388.65 1389.56 1410.12 1431.70 1434.64 1456.07 1469.03 1496.64 1509.96 1544.59 1549.43 1560.63 1580.47 1599.29 1614.24 1625.95 1631.63 1640.46 1663.22 1673.09 1680.46 1714.66 1735.53 1760.97 1774.16 1797.90 1802.92 1805.91 1825.51 1849.40 1881.37 1892.94 1896.49 1902.69 1922.09 1925.06 1945.01 1984.42 1987.67 2001.67 2007.11 2029.32 2049.52 2063.68 2089.93 2092.54 2097.17 2116.41 2132.98 2140.49 2147.81 2155.37 2159.49 2172.11 2174.81 2199.64 2223.57 2228.81 2247.23 2257.19 2268.07 2275.86 2289.06 2333.97 2342.46 2352.01 2352.96 2355.45 2374.16 2374.62 2378.33 2413.76 2419.78 2421.69 2426.90 2460.01 2491.90 2514.09 2552.40 2645.58 2652.88 2733.13 2960.57 4586.64 4605.09 4627.39 4633.37 4635.98 4648.74 4654.78 4665.56 4667.01 4680.84 4686.13 4716.18 4728.47 4737.22 4745.40 4748.32 4751.54 4762.70 4772.32 4796.88 4816.96 4866.82 4900.51 4916.66 4981.79 5255.63 5282.31 5443.88 5600.74 5683.17 0.565356 0.592809 0.593753 0.503606 -1459.293588 -1459.266134 -1459.265190 -1459.355338 3.023579D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE Cc1cccn2c1nc3c(c2=O)cc(c([n+]3C[C@@H]4CCCO4)N)C(=O)NC[C@@H]5CCCO5 C02508754 RHF 6-31G(d) (6D,10F) C1 440.229780 |X|Y|Z| 70.140328 111.710519 27.960149 60.283776 28 6 7 8 22 4 2 |36.858105| |12.639380|36.858105| |7.642643|14.047804|36.858105| |5.019377|7.960869|13.251892|36.858105| |4.421604|6.800089|7.848628|14.351606|36.858105| |5.011461|7.797095|6.809741|7.926033|12.860292|53.358707| |7.557314|13.332120|7.878345|6.920528|7.798167|17.384022|36.858105| |6.554348|7.693291|5.152134|4.588022|5.149759|10.875822|13.234838|53.358707| |5.160521|5.765754|4.326710|3.982935|4.517195|9.345135|7.905593|19.668608|36.858105| |4.487048|5.388116|4.445337|4.310044|5.044390|10.516967|6.838311|11.004685|13.616406|36.858105| |4.437690|6.047949|5.465873|5.880303|7.651908|17.327725|7.682580|9.174622|7.645177|13.016318|36.858105| |3.710521|4.839183|4.869110|5.567240|6.954354|11.115658|5.438436|6.489431|5.305877|8.086381|16.195293|73.516695| |3.544236|3.961957|3.477531|3.407028|3.850470|6.920987|4.568679|7.184848|7.930162|13.714951|7.726687|11.841206|36.858105| |3.171262|3.337181|2.905387|2.797384|3.086306|5.337847|3.784437|6.279547|6.777137|7.858225|5.093144|8.008072|13.871447|36.858105| |3.373776|3.423064|2.871187|2.708185|2.969354|5.208640|3.965510|7.209120|7.952924|6.873289|4.513925|6.769544|7.989627|13.384489|36.858105| |4.213406|4.252608|3.363862|3.100657|3.410065|6.278694|5.188990|11.077676|13.838444|7.956496|5.097494|7.141079|6.940183|7.852957|13.871866|53.358707| |4.186182|3.899367|3.071765|2.773484|2.958139|5.148476|4.537961|9.307951|7.717548|5.088013|3.840958|5.604104|4.523508|5.060003|7.715362|17.428209|36.858105| |3.463154|3.338321|2.712768|2.528659|2.738278|4.654109|3.979050|7.603505|5.659431|4.084966|3.319118|4.938041|3.666916|4.022267|5.608273|10.215551|12.499870|36.858105| |2.991049|2.965369|2.476076|2.360306|2.590197|4.376084|3.538926|6.481432|5.162568|3.961337|3.205658|4.844042|3.718937|4.226318|5.959900|9.525553|8.843498|17.501000|0.500000| |3.082171|2.862644|2.381430|2.203745|2.326683|3.772821|3.226757|5.627312|4.017862|3.129547|2.665543|4.087093|2.878023|3.136631|4.074306|6.661161|7.462068|12.470061|0.245014|36.858105| |2.785458|2.665127|2.258280|2.133153|2.270204|3.613299|3.040654|5.058433|3.471663|2.794308|2.478255|3.832102|2.544115|2.690950|3.318186|5.321300|5.108990|8.060106|0.190457|12.451592|36.858105| |3.196491|3.154693|2.625888|2.499346|2.705017|4.382919|3.768282|6.340346|4.070509|3.195564|2.881030|4.364507|2.789205|2.847447|3.463488|5.852585|5.327809|8.136949|0.183171|7.980685|12.451474|36.858105| |3.719905|3.728338|2.993096|2.826477|3.114633|5.353937|4.700591|8.987770|5.791563|4.162535|3.564484|5.215117|3.523683|3.606288|4.606329|8.566336|7.991839|13.562137|0.259837|8.173760|8.068160|13.321217|73.516695| |2.870230|2.834761|2.425453|2.293504|2.479633|4.164882|3.196478|5.579438|5.325360|4.663082|3.446617|5.377767|5.292963|7.977605|14.465337|11.216893|6.920585|5.590535|0.177198|4.309494|3.415582|3.353694|7.568746|53.358707| |2.575969|2.672271|2.412234|2.349688|2.552620|4.166263|2.927003|4.604197|4.416479|4.995053|3.824323|6.481559|7.540957|12.675993|7.514062|6.831287|3.825717|3.239920|0.096490|2.675465|2.329552|2.397398|5.147705|9.053379|36.858105| |2.319299|2.368150|2.137812|2.081836|2.251789|3.626123|2.592799|4.104168|3.792325|3.997462|3.169111|5.343471|5.308705|8.060366|6.666389|6.133899|3.676127|3.227101|0.098854|2.715696|2.357416|2.366354|5.002179|9.923728|15.685354|73.516695| |2.427154|2.542059|2.360778|2.320665|2.495768|3.948453|2.714717|4.076550|3.756874|4.471344|3.686623|6.613842|6.618764|7.892521|5.156678|5.380461|3.131358|2.690336|0.078428|2.281701|2.024680|2.097001|4.406663|6.230720|14.307604|15.141126|53.358707| |2.058728|2.136671|2.018630|1.996642|2.124809|3.258018|2.250899|3.319098|2.923233|3.341477|2.916199|5.325429|4.414417|5.013118|3.827020|4.188999|2.578790|2.284984|0.066842|1.995116|1.792381|1.832951|3.755704|4.985276|7.746434|12.065583|17.811823|36.858105| |1.999252|2.055633|1.971565|1.934885|2.016801|3.025585|2.108024|3.044794|2.619218|2.982843|2.683057|4.978460|3.758121|4.015846|3.205433|3.676583|2.318790|2.041845|0.058566|1.814897|1.633316|1.669462|3.383411|4.152497|5.296661|8.310998|10.684349|12.511045|36.858105| |2.061803|2.082207|1.981769|1.914044|1.974491|2.973426|2.113539|3.077264|2.644819|2.949379|2.611875|4.758038|3.663986|4.014984|3.288868|3.768424|2.407661|2.091710|0.059565|1.873050|1.667135|1.691177|3.427913|4.317394|5.191003|8.303359|9.512902|8.913975|17.557547|0.500000| |1.725834|1.773028|1.720176|1.702420|1.767905|2.602089|1.812257|2.588045|2.172032|2.428252|2.246710|4.192513|2.923942|3.076335|2.579579|3.036385|1.964220|1.769558|0.050850|1.598025|1.456669|1.481916|2.954485|3.415994|3.853010|6.471522|6.812435|7.440943|12.383031|0.242181|36.858105| |1.692153|1.763569|1.738872|1.744218|1.810991|2.621877|1.796434|2.516814|2.089861|2.376030|2.269138|4.343846|2.817366|2.828355|2.364082|2.848104|1.835255|1.663889|0.047585|1.499463|1.381910|1.421091|2.824287|3.063473|3.366156|5.497685|5.920841|5.680203|7.921385|0.162662|12.429493|36.858105| |1.895955|1.984835|1.970477|1.967445|2.026387|2.927225|1.997813|2.771318|2.309696|2.681946|2.582723|5.026657|3.194583|3.099121|2.541675|3.091645|1.969483|1.757069|0.049715|1.573196|1.443040|1.496268|2.996321|3.208104|3.569088|5.562969|6.460802|5.515378|8.172841|0.176279|8.048098|12.513618|36.858105| |2.127593|2.223034|2.166459|2.140686|2.222659|3.296710|2.257171|3.188036|2.730002|3.220723|2.987641|5.734261|4.041495|3.983008|3.120175|3.689859|2.297919|2.013269|0.057096|1.778561|1.611257|1.671091|3.395822|3.880997|4.785188|7.080710|9.676263|8.030325|13.460856|0.259645|8.048763|8.191035|13.471783|73.516695| |17.618199|8.887835|7.348870|4.742225|3.961842|5.671573|5.567048|6.527583|4.048209|3.720900|3.782594|5.912793|3.079938|2.776982|2.892880|4.691942|3.440534|2.920786|0.071379|2.680645|2.450862|2.750917|5.497108|3.426679|2.326694|3.743662|3.038523|1.924715|1.899227|0.054548|1.654751|1.630649|1.832462|3.609968|0.500000| |17.525443|8.847170|5.962390|4.289639|3.959200|6.382249|6.603009|9.153868|5.834407|4.963532|4.533225|6.702899|3.983706|3.620320|3.893200|6.668586|4.829603|3.725640|0.089136|3.272591|2.845477|3.180434|6.762747|4.445050|2.892801|4.593182|3.675581|2.259124|2.194482|0.063577|1.867801|1.811259|2.038918|4.131648|0.301539|0.500000| |17.552178|8.865142|5.912854|4.331615|3.975658|6.154351|6.900288|8.852745|4.852266|4.002996|3.881500|5.774967|3.208813|2.959193|3.254008|5.632664|4.404952|3.770366|0.088010|3.436337|3.133768|3.652400|7.398098|3.855511|2.421636|3.949397|3.063037|1.926626|1.855094|0.053115|1.614927|1.575858|1.741994|3.460657|0.301579|0.301726|0.500000| |7.001368|8.965749|17.771151|8.734344|5.638073|6.714354|5.601306|5.650819|3.609569|3.685369|4.301793|7.142802|3.033949|2.599639|2.567949|4.010504|2.755831|2.439783|0.061955|2.194307|2.078141|2.368751|4.700457|3.011549|2.209708|3.508798|2.972436|1.894814|1.878467|0.052761|1.651820|1.672077|1.898177|3.670558|0.223451|0.153194|0.151473|0.500000| |4.098337|5.679502|8.733843|17.719234|9.258558|7.671959|5.003795|4.967862|3.257662|3.521069|4.596770|8.250488|2.924497|2.449572|2.359955|3.595337|2.398982|2.218360|0.058002|1.968305|1.921645|2.222764|4.369709|2.771913|2.111466|3.354344|2.871719|1.847477|1.807097|0.049515|1.610566|1.664353|1.872605|3.562458|0.112939|0.098880|0.100877|0.210766|0.500000| |3.548891|4.931987|5.542792|8.860321|17.837697|12.022261|5.682087|5.784292|3.888064|4.390536|6.400371|11.420438|3.539544|2.873047|2.735599|4.160064|2.659052|2.519500|0.067422|2.154463|2.130556|2.523274|5.080003|3.155464|2.431272|3.840054|3.260378|2.066014|1.952471|0.052560|1.729989|1.788062|1.983776|3.824909|0.090156|0.090401|0.091121|0.122575|0.213920|0.500000| |3.172305|3.594690|3.321306|3.350776|3.777160|6.370341|4.001374|5.821725|5.677015|9.062717|7.283869|13.363052|17.750168|8.944621|5.648893|6.792951|3.606010|3.048506|0.086230|2.478447|2.235340|2.438907|5.292631|5.764869|6.916532|8.646161|9.935791|4.853045|4.171496|0.108667|3.211238|3.185976|3.705105|8.454896|0.078766|0.096803|0.079259|0.081462|0.081461|0.098910|0.500000| |5.247843|4.565237|3.452346|3.005901|3.129128|5.405575|5.141112|10.629666|7.498495|4.928043|3.885336|5.629794|4.167656|4.357495|5.861154|12.480926|17.661742|8.883483|0.174179|6.690650|4.842513|5.263684|13.215615|6.979734|3.356088|5.624435|3.894545|2.378442|2.189490|0.063346|1.864491|1.758456|1.905349|3.916274|0.115426|0.171882|0.159486|0.086162|0.071599|0.076518|0.094383|0.500000| |3.702205|3.368389|2.739422|2.470424|2.592853|4.359994|3.719527|6.918179|5.843640|4.354540|3.342519|5.046052|4.165461|4.928123|7.497413|12.462977|17.651966|8.814974|0.204849|6.927039|4.571392|4.374062|10.211711|10.738890|3.927988|6.913022|4.336108|2.653358|2.395247|0.070204|2.024933|1.863157|1.989195|4.143607|0.087590|0.120750|0.106465|0.069780|0.060271|0.065374|0.094101|0.306100|0.500000| |3.391612|3.022288|2.490452|2.256075|2.337037|3.753388|3.304469|5.684273|3.933518|3.061131|2.632231|4.037461|2.782781|2.983395|3.792698|6.303522|7.185037|8.821234|0.174048|17.532959|8.795802|6.792749|12.240039|5.307876|2.541751|4.521733|2.995404|1.925711|1.778178|0.051319|1.564851|1.471118|1.554338|3.116877|0.081992|0.100423|0.107716|0.064339|0.055939|0.059441|0.066862|0.207542|0.190443|0.500000| |2.715412|2.526467|2.142454|1.993427|2.097801|3.360451|2.798084|4.755971|3.537900|2.859134|2.430041|3.787268|2.720878|3.042960|3.937932|5.985276|6.273106|8.694670|0.218254|17.590119|8.666883|5.693136|10.356600|6.048909|2.675500|4.949560|3.089790|2.008622|1.822642|0.052490|1.611299|1.498199|1.559216|3.133951|0.066813|0.080919|0.082175|0.055346|0.049893|0.054410|0.065629|0.150460|0.184413|0.301125|0.500000| |2.629303|2.479986|2.127567|2.001420|2.099425|3.266833|2.754030|4.415513|2.996048|2.467570|2.230093|3.488724|2.255268|2.364104|2.840990|4.477264|4.191780|5.734127|0.138277|8.688667|17.610315|8.722136|10.404100|3.975739|2.077967|3.734569|2.495036|1.639889|1.510803|0.042935|1.357242|1.290368|1.346608|2.653233|0.065347|0.073826|0.082937|0.055060|0.050549|0.054798|0.055769|0.115575|0.107891|0.217517|0.194569|0.500000| |2.460955|2.399746|2.068230|1.984329|2.130109|3.371084|2.744917|4.499411|3.189473|2.637289|2.344171|3.664990|2.451319|2.620994|3.203224|4.924595|4.462315|6.842875|0.190806|8.819304|17.570841|8.799481|11.685716|4.597866|2.310103|4.219712|2.724159|1.786596|1.615011|0.045577|1.448313|1.371698|1.420374|2.813656|0.060739|0.070010|0.075186|0.052913|0.049987|0.056280|0.060265|0.112873|0.113987|0.173972|0.217833|0.302147|0.500000| |3.467023|3.360683|2.782819|2.611851|2.774657|4.408890|3.926229|6.332268|3.860280|3.058243|2.825359|4.287865|2.631635|2.634168|3.129976|5.312149|4.786085|6.271898|0.139536|6.505410|8.728434|17.602762|16.590227|4.060634|2.223012|3.859319|2.688302|1.731343|1.596960|0.045043|1.420766|1.369139|1.449576|2.863271|0.082979|0.093272|0.114272|0.070084|0.064571|0.071129|0.064496|0.142225|0.110671|0.179098|0.133560|0.220435|0.174813|0.500000| |2.861320|2.918017|2.488627|2.432139|2.674243|4.274676|3.520167|5.670919|3.700538|3.020911|2.788756|4.271058|2.656227|2.685618|3.178110|5.183487|4.352514|6.187677|0.158875|5.791180|8.676786|17.631855|16.530341|4.183735|2.290107|4.027314|2.745506|1.775368|1.610756|0.044961|1.439388|1.388006|1.454243|2.870674|0.069307|0.078232|0.088871|0.062214|0.060582|0.070658|0.065395|0.117033|0.101749|0.137626|0.128196|0.189540|0.222160|0.300981|0.500000| |2.543259|2.532200|2.217511|2.120272|2.287714|3.759849|2.812448|4.695962|4.364500|4.113178|3.151125|5.070642|4.926350|7.563352|9.628944|8.086431|5.068918|4.374825|0.138882|3.585220|2.957007|2.887388|6.255428|25.744351|7.880877|18.772421|6.993234|4.198846|3.368805|0.097140|2.759299|2.422530|2.494071|5.407353|0.063071|0.079553|0.069178|0.056647|0.052866|0.060127|0.115043|0.112492|0.157945|0.090972|0.104519|0.071593|0.082662|0.072026|0.075038|0.500000| |2.809818|2.733029|2.326542|2.192429|2.360143|3.931248|3.085623|5.429307|4.874464|4.072912|3.126442|4.861795|4.319920|5.767414|9.355685|10.172524|7.763958|6.818904|0.227480|5.286779|3.987281|3.750243|8.413284|26.143963|4.951930|9.706043|5.033848|3.093325|2.644044|0.076394|2.232904|2.018066|2.100575|4.418024|0.068433|0.087872|0.078860|0.059171|0.054244|0.061332|0.098608|0.151840|0.261465|0.127467|0.157778|0.092949|0.110238|0.090755|0.093890|0.307134|0.500000| |2.591409|2.748948|2.580748|2.538904|2.717615|4.277295|2.898521|4.255026|3.911360|4.907430|4.137027|7.651661|7.413330|7.398744|4.822176|5.324958|3.073567|2.613094|0.074770|2.215763|1.975589|2.072094|4.358897|5.561116|9.361965|10.835093|26.071801|9.170376|7.525121|0.185833|4.806436|4.468220|5.327849|15.117118|0.066431|0.080151|0.065648|0.066236|0.063966|0.072042|0.257366|0.079791|0.085515|0.060002|0.060495|0.049891|0.053769|0.054769|0.055307|0.120690|0.093686|0.500000| |1.936936|2.037344|1.943487|1.953893|2.098303|3.185618|2.162623|3.151190|2.740805|3.157367|2.837268|5.270404|4.083312|4.423351|3.440491|3.857962|2.382668|2.156559|0.063444|1.883660|1.717926|1.767089|3.596370|4.463559|6.263929|10.092084|12.438755|17.555465|8.855673|0.174380|7.028878|6.051766|5.448850|12.488141|0.050372|0.058234|0.050531|0.050550|0.050531|0.057461|0.128153|0.061181|0.067091|0.050257|0.052492|0.043692|0.047841|0.046319|0.048027|0.102977|0.078356|0.205302|0.500000| |1.964889|2.012445|1.885790|1.853790|1.968353|3.025336|2.125115|3.175387|2.780950|3.063141|2.644115|4.727417|3.929977|4.706692|3.809543|4.108612|2.584438|2.309141|0.068209|2.034943|1.818510|1.833200|3.736581|5.244771|7.434005|13.987568|12.519556|17.655601|8.818479|0.217790|6.505990|4.718344|4.386428|10.223339|0.050988|0.059980|0.051627|0.049303|0.047672|0.053098|0.113661|0.065497|0.075136|0.054279|0.057659|0.046209|0.050658|0.047838|0.049236|0.127914|0.090663|0.181679|0.301321|0.500000| |1.635936|1.680704|1.623204|1.612696|1.685714|2.488453|1.734088|2.492749|2.089413|2.309405|2.128058|3.937493|2.770151|2.969178|2.524806|2.952468|1.920740|1.751631|0.050800|1.585539|1.450177|1.467779|2.915252|3.406473|3.780449|6.633110|6.402366|7.257521|8.678645|0.186889|17.575869|8.667035|5.744489|10.488281|0.043412|0.049007|0.042871|0.043163|0.042381|0.046040|0.083337|0.050242|0.055093|0.042844|0.044654|0.037494|0.040321|0.038893|0.039750|0.077502|0.062117|0.119543|0.205570|0.196352|0.500000| |1.665650|1.692342|1.644239|1.614372|1.659653|2.429318|1.712176|2.440762|2.028347|2.234632|2.071563|3.839103|2.636531|2.778225|2.388383|2.844272|1.869296|1.682163|0.048041|1.535795|1.397418|1.413985|2.802156|3.192719|3.381691|5.765706|5.689887|5.613323|8.797741|0.227107|17.577254|8.803252|6.747774|11.436199|0.044670|0.050129|0.043342|0.044212|0.042563|0.044928|0.078984|0.049610|0.053911|0.042017|0.043142|0.036357|0.038501|0.037808|0.038025|0.071136|0.058566|0.112997|0.142063|0.147101|0.302678|0.500000| |1.669483|1.757800|1.733929|1.759403|1.847432|2.675285|1.810933|2.535121|2.107430|2.411346|2.318974|4.468785|2.867730|2.859857|2.377879|2.861095|1.832210|1.676520|0.048254|1.502912|1.393795|1.438871|2.860325|3.072848|3.409163|5.579609|5.964442|5.709984|6.657713|0.136596|8.775897|17.557735|8.850808|12.307537|0.044468|0.049355|0.043330|0.046004|0.046650|0.051134|0.091077|0.048531|0.051281|0.040719|0.041641|0.036053|0.038592|0.038375|0.039265|0.067614|0.056230|0.123420|0.189800|0.130388|0.217995|0.174181|0.500000| |1.564007|1.623304|1.610455|1.615856|1.666221|2.385879|1.643118|2.288039|1.874863|2.105017|2.031514|3.880311|2.437560|2.440769|2.088812|2.551609|1.667462|1.522315|0.043405|1.384978|1.282588|1.315697|2.592525|2.727855|2.834184|4.714556|4.759201|4.347253|5.690960|0.130599|8.675698|17.595730|8.714887|10.355776|0.042152|0.046245|0.040584|0.043318|0.043156|0.045808|0.075433|0.044623|0.047054|0.037846|0.038481|0.033439|0.035374|0.035331|0.035743|0.059540|0.050512|0.099506|0.127020|0.106402|0.193122|0.219322|0.301596|0.500000| |1.916269|2.036791|2.048954|2.074879|2.142087|3.054114|2.050013|2.800722|2.317445|2.731455|2.707495|5.409714|3.207058|3.001927|2.461443|3.041795|1.928921|1.729722|0.048829|1.543217|1.426234|1.491834|2.985366|3.064754|3.336402|5.153038|5.896646|4.699560|5.954275|0.134659|5.728075|8.663013|17.623239|16.690261|0.051524|0.056696|0.048729|0.054724|0.055184|0.058712|0.105757|0.052101|0.053478|0.042353|0.042206|0.036977|0.038958|0.040255|0.040446|0.065391|0.056000|0.138863|0.135091|0.104916|0.127066|0.136690|0.218380|0.193530|0.500000| |1.863868|1.928299|1.922689|1.899539|1.927934|2.763316|1.912316|2.641582|2.177295|2.489420|2.403192|4.634970|2.896280|2.820345|2.368523|2.917592|1.885917|1.677594|0.047116|1.516468|1.388636|1.434807|2.858119|3.008775|3.174862|5.020151|5.494986|4.531808|6.687767|0.166149|6.810418|8.782237|17.538803|16.498427|0.050533|0.055743|0.047484|0.052036|0.050455|0.052105|0.090975|0.051118|0.053195|0.041905|0.041788|0.036181|0.037830|0.038814|0.038593|0.064500|0.055189|0.124791|0.119675|0.105951|0.137486|0.186335|0.173943|0.217118|0.300699|0.500000| |4.202674|5.842328|5.146482|6.005230|9.424062|25.704963|9.379462|10.111646|6.492416|6.881540|9.410063|11.989826|4.804033|3.839026|3.816901|6.230590|3.774801|3.578445|0.095142|2.860115|2.800786|3.471125|7.558693|4.207066|3.020738|4.748081|3.837560|2.344228|2.142468|0.058136|1.856956|1.866632|2.051358|4.093584|0.098340|0.110582|0.111090|0.110872|0.130602|0.230966|0.122135|0.106905|0.087895|0.077437|0.070497|0.069604|0.073362|0.095251|0.096568|0.077522|0.081801|0.083153|0.064325|0.060931|0.049824|0.047980|0.053355|0.047213|0.059320|0.053461|0.500000| 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