Version2.0 2020-07-19T11:18:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)[C@@H]1C(=c2cc(c(cc2=[NH+]1)OC)OC)NC(=O)C[NH+]3CCc4cc(c(cc4C3)OC)OC C38556053 RHF 6-31G(d) (6D,7F) CCOC(=O)[C@@H]1C(=c2cc(c(cc2=[NH+]1)OC)OC)NC(=O)C[NH+]3CCc4cc(c(cc4C3)OC)OC C01[X(C26H33N3O7)] 201 C1 606 CCOC(=O)[C@H]1[NH+]=c2c(=C1NC(=O)C[NH+]1CCc3c(C1)cc(c(c3)OC)OC)cc(c(c2)OC)OC CCOC(=O)[C@H]1[NH+]=c2c(=C1NC(=O)C[NH+]1CCc3c(C1)cc(c(c3)OC)OC)cc(c(c2)OC)OC CCOC(=O)[C@H]1[NH+]=C2C=C(OC)C(=CC2=C1NC(=O)C[NH+]3CCc4cc(OC)c(OC)cc4C3)OC InChIKey=KZWQDSPXKRGVAJ-VWLOTQADSA-P InChI=1S/C26H31N3O7/c1-6-36-26(31)25-24(17-11-21(34-4)22(35-5)12-18(17)27-25)28-23(30)14-29-8-7-15-9-19(32-2)20(33-3)10-16(15)13-29/h9-12,25H,6-8,13-14H2,1-5H3,(H,28,30)/p+2/t25-/m0/s1 InChI=1/C26H31N3O7/c1-6-36-26(31)25-24(17-11-21(34-4)22(35-5)12-18(17)27-25)28-23(30)14-29-8-7-15-9-19(32-2)20(33-3)10-16(15)13-29/h9-12,25H,6-8,13-14H2,1-5H3,(H,28,30)/p+2/t25-/m0/s1/fC26H33N3O7/h27-29H/q+2 CCOC(=O)[C@@H]1C(=c2cc(c(cc2=[NH+]1)OC)OC)NC(=O)C[NH+]3CCc4cc(c(cc4C3)OC)OC C01[X(C26H33N3O7)] 201 C01 606 CCOC(=O)[C@H]1[NH+]=c2c(=C1NC(=O)C[NH+]1CCc3c(C1)cc(c(c3)OC)OC)cc(c(c2)OC)OC CCOC(=O)[C@H]1[NH][C]2[C](=C1NC(=O)C[NH]1CC[C]3[C]([CH][C]([C]([CH]3)OC)OC)C1)C=C([C]([CH]2)[O]C)OC CCOC(=O)[C@H]1N[C]2[CH][C](OC)C(=CC2=C1NC(=O)C[NH]3CC[C]4[CH][C](OC)[C]([CH][C]4C3)OC)OC InChIKey=LNLOFXDYRRKPIE-VWLOTQADSA-N InChI=1S/C26H33N3O7/c1-6-36-26(31)25-24(17-11-21(34-4)22(35-5)12-18(17)27-25)28-23(30)14-29-8-7-15-9-19(32-2)20(33-3)10-16(15)13-29/h9-12,25,27,29H,6-8,13-14H2,1-5H3,(H,28,30)/t25-/m0/s1 InChI=1/C26H33N3O7/c1-6-36-26(31)25-24(17-11-21(34-4)22(35-5)12-18(17)27-25)28-23(30)14-29-8-7-15-9-19(32-2)20(33-3)10-16(15)13-29/h9-12,25,27,29H,6-8,13-14H2,1-5H3,(H,28,30)/t25-/m0/s1/f/h28H 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0.6560 0.4175 0.4112 0.4175 0.2141 0.2557 0.6233 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 63 64 65 66 67 68 69 6 6 8 6 8 6 1 6 6 6 6 6 6 6 7 1 8 6 8 6 7 6 8 6 7 1 6 6 6 6 6 6 6 6 6 8 6 8 6 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 1 1 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 15.99491 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 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 1.00783 1.00783 7929.6992 50385.5419 54881.7407 1.00000 0.00083 0.00055 -0.00082 0.99993 -0.01204 -0.00056 0.01204 0.99993 1 0.01092 0.00172 0.00158 0.22759 0.03582 0.03288 14.94 22.51 28.73 35.01 52.47 67.07 77.61 90.31 105.25 116.74 122.64 139.90 149.36 156.75 188.04 198.32 208.69 213.18 249.04 255.73 266.19 274.86 281.92 291.28 302.33 305.32 318.74 352.67 362.14 386.67 392.46 398.52 408.17 425.81 446.41 453.70 462.96 538.71 552.02 571.56 575.43 613.31 627.43 639.63 648.55 691.07 700.90 721.45 737.74 742.34 755.53 767.64 829.98 849.19 858.62 872.35 920.70 934.47 968.15 988.92 999.99 1045.49 1068.20 1110.51 1130.07 1132.38 1140.22 1157.78 1172.24 1206.41 1231.27 1257.89 1275.01 1281.55 1286.05 1329.25 1331.58 1362.45 1371.97 1393.33 1404.67 1433.39 1452.66 1493.05 1528.32 1549.75 1564.30 1567.15 1613.13 1621.60 1626.05 1665.45 1667.90 1693.37 1700.23 1710.90 1723.88 1774.32 1794.82 1824.69 1847.92 1850.75 1858.99 1859.05 1859.15 1859.92 1867.11 1888.10 1904.40 1914.68 1916.51 1921.97 1944.17 1958.89 1966.36 1979.98 1997.67 2031.82 2035.04 2048.56 2049.32 2055.77 2057.36 2086.80 2092.60 2120.78 2156.22 2190.82 2191.24 2206.87 2209.21 2229.24 2232.24 2246.36 2264.96 2275.38 2278.77 2288.62 2332.78 2336.01 2341.46 2342.07 2346.59 2346.92 2356.22 2358.56 2358.85 2359.98 2363.54 2369.88 2371.23 2371.52 2375.54 2375.86 2377.72 2378.64 2387.74 2395.94 2427.92 2439.07 2461.57 2528.97 2579.55 2593.67 2607.15 2666.26 2861.14 2927.57 4619.01 4624.58 4629.60 4632.43 4639.99 4665.05 4679.91 4691.46 4698.67 4717.28 4720.95 4721.30 4725.86 4732.27 4744.78 4746.16 4750.05 4755.00 4776.03 4808.45 4810.76 4814.84 4834.10 4836.51 4857.12 4877.70 4884.26 4893.27 4909.00 4935.47 5257.32 5531.08 5545.52 0.621599 0.655333 0.656277 0.552338 -1690.055311 -1690.021577 -1690.020632 -1690.124572 3.486165D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCOC(=O)[C@@H]1C(=c2cc(c(cc2=[NH+]1)OC)OC)NC(=O)C[NH+]3CCc4cc(c(cc4C3)OC)OC C38556053 RHF 6-31G(d) (6D,10F) C1 499.231851 |X|Y|Z| 161.552206 60.177917 33.929862 69.094591 22 6 7 19 3 |36.858105| |12.604996|36.858105| |7.977689|13.144267|73.516695| |5.280056|8.105498|25.908540|36.858105| |4.579358|7.079352|15.223498|16.124407|73.516695| |4.005796|5.099065|14.171959|12.405848|14.418519|36.858105| |3.472636|4.346171|10.844984|8.954899|12.960835|17.617984|0.500000| |3.959695|4.509298|12.171763|7.297903|9.203672|12.610124|0.245178|36.858105| |3.443971|3.779713|9.211324|5.447176|7.572312|8.118356|0.172012|14.136853|36.858105| |3.010878|3.116514|7.017339|3.918919|5.764694|5.038088|0.118747|7.418728|13.170446|36.858105| |2.628332|2.716717|5.838301|3.314921|5.095838|4.072388|0.098575|5.133077|7.928375|14.208965|36.858105| |2.528296|2.692199|5.709710|3.375845|5.347917|4.121264|0.099709|4.633937|6.817248|7.755954|12.781695|36.858105| |2.740275|3.043926|6.599360|4.118053|6.557802|5.209110|0.122517|5.332871|7.671293|6.584181|7.599963|13.842327|36.858105| |3.216488|3.689471|8.648775|5.638477|8.354508|8.299265|0.175124|8.472944|13.166057|7.627190|6.782949|8.042032|13.666163|36.858105| |3.444325|4.236263|10.253912|7.894610|11.780670|13.143650|0.253161|8.334533|8.425957|5.280626|4.636804|5.243453|7.797030|14.450985|53.358707| |3.198004|3.990173|8.954454|6.991824|12.246177|8.852395|0.207415|5.859193|5.900158|4.218229|3.924846|4.619552|6.835108|9.208376|25.976974|0.500000| |2.210565|2.322728|4.750733|2.783650|4.537182|3.246833|0.081037|3.531789|4.679837|5.366504|8.218179|14.836203|8.072793|5.317273|5.423532|0.103179|73.516695| |2.040622|2.168828|4.338263|2.581946|4.339456|2.931818|0.074396|3.015183|3.754067|3.948477|5.165900|7.999682|6.697723|4.500071|4.972275|0.099925|23.688817|36.858105| |2.315758|2.339825|4.851775|2.713435|4.265204|3.188366|0.079606|3.871955|5.201131|7.997999|14.476949|8.165897|5.268284|4.634740|4.785819|0.086266|13.575750|4.872655|73.516695| |2.245401|2.216529|4.549814|2.489368|3.902869|2.872597|0.072798|3.555157|4.437621|6.683063|8.041565|5.186208|3.919206|3.740233|4.089079|0.073893|8.682876|3.592047|23.967405|36.858105| |4.027361|4.304910|10.951040|5.789705|7.685563|7.466855|0.183049|13.797312|7.838066|6.036913|4.260639|3.667540|3.920461|5.298695|7.152877|0.116200|5.250463|2.538719|6.153540|3.401709|53.358707| |4.015497|4.346880|10.460405|5.566516|7.718431|6.312809|0.176252|7.818348|5.171591|4.225804|3.274490|2.943066|3.174454|4.089015|5.940422|0.102469|4.374005|2.181354|4.942659|2.762908|19.033645|36.858105| |3.983735|4.635021|11.021359|6.438563|9.183451|6.851133|0.212901|6.718157|4.564314|3.630331|2.936769|2.754849|3.061445|3.940576|6.148050|0.109276|4.131474|2.107007|4.442054|2.434265|11.472209|15.970232|73.516695| |3.528244|3.543703|7.619270|3.927205|5.840004|4.201301|0.117860|5.058332|3.922113|3.551226|2.841958|2.513130|2.613062|3.171152|4.433475|0.079253|3.843508|1.921258|4.479121|2.600499|10.621553|12.488462|14.323295|36.858105| |3.303753|3.349552|6.759409|3.548208|5.536814|3.585759|0.103984|3.899816|3.122098|2.818051|2.352847|2.146179|2.254331|2.680491|3.854544|0.071140|3.342573|1.706040|3.760431|2.163609|7.023726|7.775125|12.796497|12.862302|53.358707| |3.185301|3.375015|6.879438|3.773797|5.977817|3.836830|0.115958|3.984576|3.144923|2.770883|2.327294|2.157649|2.301087|2.756031|4.058658|0.075424|3.353663|1.724503|3.689008|2.091102|6.881100|7.857131|15.429630|9.421014|25.620330|0.500000| |3.846377|3.761077|7.102986|3.552141|5.622921|3.332289|0.093676|3.501922|2.850313|2.571991|2.181884|2.015056|2.124683|2.503267|3.630391|0.067945|3.160822|1.627131|3.503302|2.005576|5.967253|5.997778|10.562445|7.646499|17.182956|0.259365|36.858105| |3.270048|3.292466|5.951026|3.107417|5.168653|2.877545|0.082793|2.885354|2.409270|2.177128|1.892530|1.782259|1.889596|2.190228|3.216925|0.061643|2.830538|1.478899|3.062594|1.740047|4.610890|4.382475|8.407231|5.016003|10.495608|0.207722|12.540572|36.858105| |2.619981|2.632757|4.833464|2.590047|4.343667|2.494409|0.072676|2.533889|2.164145|1.993868|1.749623|1.642868|1.723766|1.969715|2.854001|0.054885|2.632142|1.377083|2.865106|1.641426|4.028711|3.716890|6.922569|4.442210|9.177341|0.182322|7.568775|12.587097|36.858105| |2.294814|2.311668|4.155526|2.253308|3.863332|2.158170|0.062890|2.158669|1.880590|1.743190|1.554124|1.474209|1.545944|1.742249|2.525260|0.049202|2.385202|1.259278|2.563774|1.464330|3.326749|2.946714|5.536995|3.348846|6.147071|0.126508|5.001384|7.568733|13.558865|36.858105| |1.983642|1.995880|3.615576|1.979951|3.402933|1.931251|0.056405|1.944361|1.719877|1.613245|1.449917|1.374852|1.432054|1.597444|2.294927|0.044826|2.239507|1.184500|2.411620|1.383188|2.973574|2.574167|4.762890|2.929435|5.115565|0.105051|3.866764|5.025749|7.870066|13.890710|36.858105| |1.902542|1.909979|3.525291|1.936089|3.292324|1.930017|0.056508|1.975885|1.755049|1.661875|1.490314|1.401797|1.449755|1.614953|2.297557|0.044598|2.283693|1.201746|2.488829|1.438096|3.053278|2.633448|4.769579|3.080136|5.314050|0.107535|3.730692|4.416427|6.802588|7.891643|13.363372|36.858105| |2.072885|2.077098|3.905376|2.134646|3.571877|2.155668|0.063196|2.246003|1.974060|1.869843|1.656157|1.541352|1.590535|1.787755|2.532902|0.048638|2.492971|1.300766|2.755092|1.600491|3.557737|3.130465|5.560833|3.847865|6.900724|0.135652|4.491788|4.997428|7.909079|6.894784|7.905895|13.911793|36.858105| |2.446251|2.450446|4.630702|2.497772|4.129137|2.492124|0.072911|2.601766|2.232255|2.083484|1.818579|1.687289|1.753525|2.001401|2.859047|0.054489|2.701352|1.403154|2.990889|1.730917|4.224476|3.894711|6.945512|4.999433|10.443694|0.196103|6.704829|7.561913|13.911662|7.964985|6.841767|7.888460|13.534702|36.858105| |2.669813|2.659883|5.209223|2.781046|4.462442|2.851622|0.082904|3.101830|2.619159|2.453176|2.095191|1.907602|1.970837|2.278376|3.215680|0.060144|3.020930|1.547810|3.425343|2.000176|5.315397|5.074455|8.399268|7.677800|17.222376|0.257129|7.715640|6.408967|7.554486|5.013804|4.438749|5.058250|7.644664|12.627335|36.858105| |1.680576|1.686725|3.107484|1.716992|2.936469|1.722608|0.050359|1.762760|1.588831|1.517840|1.374911|1.296916|1.335013|1.471737|2.081886|0.040600|2.128359|1.124127|2.313476|1.338734|2.686082|2.261483|4.075583|2.593650|4.245400|0.086261|2.969137|3.379492|4.618104|5.316204|8.188529|14.345053|7.939655|5.196541|3.894783|73.516695| |1.584014|1.587169|2.952942|1.636007|2.783848|1.665771|0.048656|1.723565|1.567794|1.513523|1.374703|1.290448|1.318888|1.446593|2.027527|0.039431|2.123975|1.118936|2.327325|1.355015|2.627260|2.180786|3.869982|2.513460|3.973258|0.080120|2.692544|2.913251|3.775889|3.981716|5.228631|8.024665|6.704591|4.484843|3.694922|24.095325|36.858105| |1.783773|1.796110|3.220665|1.772951|3.080870|1.724480|0.050238|1.723314|1.542909|1.452991|1.319365|1.259375|1.310621|1.448362|2.078692|0.040916|2.065447|1.099229|2.205248|1.261840|2.590690|2.195370|4.069090|2.435982|4.066651|0.084003|3.094092|3.876196|5.196007|7.945058|14.373836|8.200963|5.326531|4.638783|3.394416|13.248542|4.813101|73.516695| |1.780050|1.795196|3.165694|1.741704|3.059501|1.668944|0.048422|1.648257|1.478832|1.386909|1.265096|1.216081|1.270718|1.400871|2.021000|0.040041|1.998475|1.069059|2.112277|1.202151|2.448516|2.060497|3.856997|2.235085|3.678521|0.076404|2.894230|3.675901|4.487931|6.706615|8.022693|5.228872|3.984841|3.789049|2.921340|8.552522|3.555983|24.057615|36.858105| |17.580498|8.934123|10.163352|4.283000|7.060274|3.332031|0.082517|3.242968|2.896367|2.586532|2.313174|2.250235|2.423828|2.766951|4.025949|0.078175|3.563698|1.876265|3.686070|2.015795|4.471973|3.325356|5.958396|3.023190|3.980798|0.078619|3.451609|3.067540|2.477667|2.216402|1.918597|1.820993|1.955593|2.283272|2.431355|2.873943|1.516644|3.099763|1.760598|0.500000| |17.555928|8.833159|12.751764|4.870691|7.368600|3.892401|0.095890|4.007527|3.396492|3.007029|2.578898|2.425498|2.591976|3.060248|4.414589|0.082517|3.767853|1.938993|4.065480|2.259177|5.942639|4.539457|7.799140|4.141684|5.299017|0.101294|4.757193|3.839357|2.993268|2.563748|2.188217|2.099832|2.313117|2.784010|3.075869|3.260324|1.722426|3.453182|1.925093|0.301465|0.500000| |17.585188|8.847816|12.792691|4.920726|7.444283|3.955619|0.092994|4.076647|3.697971|3.299517|2.892258|2.760348|2.951262|3.423954|4.807763|0.090053|4.279735|2.199521|4.528100|2.463082|5.517564|3.805434|6.471477|3.352794|4.125178|0.080600|3.388325|2.862343|2.367738|2.081950|1.828742|1.775967|1.940318|2.259265|2.497184|2.813603|1.507007|2.935424|1.637829|0.301374|0.300402|0.500000| |8.782858|17.642382|16.460517|7.242974|12.617431|4.666749|0.117826|4.020228|3.330190|2.769388|2.428474|2.411794|2.721157|3.266814|5.189992|0.101909|3.738832|1.981973|3.757812|2.016323|5.381869|4.257983|8.540491|3.527029|4.772178|0.100151|4.052308|3.689226|2.871451|2.530977|2.152175|2.028881|2.190496|2.605581|2.765584|3.163162|1.656093|3.438641|1.949711|0.210962|0.210370|0.172644|0.500000| |8.810972|17.654908|16.464353|7.365568|12.920171|4.760038|0.112268|4.080939|3.604630|2.988018|2.680259|2.734474|3.137739|3.709445|5.841296|0.116750|4.229583|2.258503|4.108762|2.155358|5.054597|3.632988|6.871174|3.001253|3.863236|0.080036|3.106736|2.801318|2.307882|2.065942|1.808771|1.733389|1.867185|2.162036|2.323491|2.751805|1.462571|2.928411|1.654118|0.211751|0.172751|0.211179|0.302071|0.500000| |2.969637|2.979646|6.597672|3.560176|5.251902|4.390745|0.106972|6.529949|8.687134|17.774605|9.074086|5.536903|4.804519|5.486516|5.823181|0.097808|7.669311|3.306114|12.598803|7.369727|8.599050|4.408081|6.453328|3.895976|4.084185|0.080224|2.706784|2.254868|2.079264|1.804299|1.673480|1.737828|1.973455|2.200549|2.637918|2.817546|1.588250|2.666375|1.422657|0.070938|0.084543|0.090140|0.074209|0.077822|0.500000| |2.551356|2.865973|6.006880|3.818264|6.389325|4.576768|0.111552|4.333751|5.513973|4.805835|5.460656|8.891928|17.792782|8.867844|9.380259|0.194824|12.641682|7.372311|7.568176|3.287930|4.517124|2.805074|4.930905|2.336534|2.808293|0.058893|1.962917|1.774236|1.622152|1.468751|1.363417|1.373765|1.494554|1.638925|1.816239|2.257586|1.251914|2.231948|1.223272|0.063739|0.066403|0.075528|0.072013|0.083872|0.105084|0.500000| |1.862951|1.953580|3.851466|2.262844|3.820257|2.528765|0.064919|2.621555|3.184547|3.432379|4.428581|5.946664|4.913870|3.627485|4.131444|0.083057|16.930520|17.711994|8.052325|3.455234|3.088412|1.972190|3.377790|1.767045|2.147616|0.044128|1.507995|1.376081|1.289140|1.184049|1.118805|1.136869|1.226975|1.315720|1.446040|1.898898|1.066191|1.851962|1.013105|0.047981|0.049405|0.055730|0.049876|0.056314|0.082677|0.144641|0.500000| |1.968975|2.121571|4.265085|2.592760|4.405147|2.991240|0.077359|3.009303|3.688205|3.743737|4.677071|7.028030|6.676341|4.541464|5.145181|0.105416|16.400857|17.629935|7.623496|3.268283|3.429893|2.185620|3.792870|1.914613|2.326502|0.048386|1.619156|1.480277|1.383119|1.266785|1.193745|1.212153|1.310909|1.410769|1.552385|2.018103|1.130616|1.970720|1.077299|0.050310|0.052173|0.058168|0.054430|0.061226|0.087287|0.220153|0.299095|0.500000| |2.154199|2.300038|4.550668|2.704135|4.583410|2.991933|0.074892|3.009054|3.688730|3.742605|4.675392|7.028899|6.678546|4.542880|5.142228|0.105455|16.400102|17.629829|7.618677|3.266145|3.426014|2.173348|3.759439|1.903848|2.313526|0.047735|1.639553|1.492762|1.379895|1.263600|1.183495|1.193748|1.288403|1.395412|1.532422|1.980703|1.103595|1.954518|1.074017|0.055196|0.056108|0.064860|0.057950|0.067609|0.087244|0.220070|0.299088|0.296813|0.500000| |2.451537|2.369106|4.846762|2.584041|4.010853|2.921801|0.073065|3.671592|4.481772|6.661461|7.070349|4.694086|3.717880|3.672709|4.071330|0.073204|7.639153|3.265477|16.438778|17.584602|4.894819|2.899273|4.482242|2.753709|3.090453|0.060244|2.127995|1.825621|1.709253|1.518098|1.426558|1.478929|1.649376|1.796899|2.085796|2.436397|1.381755|2.307441|1.237985|0.060814|0.068805|0.075802|0.059305|0.063564|0.220127|0.086801|0.086627|0.082139|0.085416|0.500000| |2.188498|2.175818|4.506599|2.486841|3.890766|2.921532|0.075357|3.671478|4.479976|6.659488|7.069087|4.694667|3.718853|3.672834|4.073932|0.073217|7.641072|3.266827|16.439168|17.584647|4.903967|2.927656|4.538604|2.785172|3.120525|0.061553|2.083499|1.802659|1.715037|1.523379|1.444335|1.513966|1.696839|1.829485|2.136080|2.506358|1.435456|2.333847|1.242877|0.054461|0.061905|0.065679|0.055558|0.058189|0.220146|0.086845|0.086658|0.085511|0.082125|0.297306|0.500000| |2.021038|1.988168|3.999907|2.194586|3.496677|2.485241|0.063727|2.966256|3.581081|4.897630|5.924826|4.411745|3.395261|3.168209|3.555454|0.065591|7.984588|3.432322|16.971699|17.694872|3.885209|2.392731|3.805103|2.282838|2.638906|0.052121|1.810718|1.589956|1.509968|1.358726|1.290722|1.341880|1.483207|1.589650|1.815702|2.235358|1.276144|2.105579|1.130116|0.051068|0.056323|0.061339|0.050581|0.054076|0.144607|0.081922|0.095315|0.086213|0.086156|0.299590|0.299600|0.500000| |3.737494|3.773433|8.925475|4.576299|6.373955|5.568719|0.138296|9.378793|7.253623|6.655619|4.536458|3.681066|3.732309|4.767425|6.022459|0.100218|5.319220|2.524066|6.698972|3.861860|25.990953|9.364835|10.842103|7.509988|6.532188|0.124444|4.091101|3.148350|2.813349|2.333328|2.109691|2.190013|2.563001|3.003089|3.835628|3.448066|1.916493|3.274596|1.732499|0.085891|0.113611|0.107563|0.095637|0.091878|0.220053|0.087067|0.063319|0.068776|0.068911|0.116074|0.115334|0.088370|0.500000| |2.981041|3.007858|6.409370|3.428816|5.198400|3.833167|0.109541|4.688332|3.809787|3.572912|2.870654|2.506719|2.566056|3.065567|4.193153|0.075102|3.853732|1.916525|4.577660|2.696141|9.378544|8.903998|11.283949|17.588323|12.351445|0.210251|5.621968|4.173676|4.002816|3.108410|2.820637|3.065786|3.891931|4.774077|7.536259|4.667542|2.612103|4.194993|2.136169|0.072238|0.094155|0.080351|0.082709|0.072878|0.111051|0.063576|0.049176|0.053281|0.052155|0.078234|0.082140|0.065745|0.198717|0.500000| |3.786637|3.590999|7.519943|3.686780|5.473770|3.820896|0.102760|4.689486|3.790840|3.557003|2.851798|2.486270|2.543619|3.041106|4.159850|0.074520|3.822960|1.900787|4.551287|2.687457|9.559154|8.751161|10.818532|17.610063|12.344362|0.183292|7.377286|4.692226|4.103182|3.155199|2.765760|2.885620|3.540025|4.505380|6.524571|4.360193|2.379888|4.130652|2.148247|0.089656|0.127491|0.101443|0.097099|0.084037|0.111054|0.063005|0.048795|0.052025|0.052519|0.080897|0.079082|0.065523|0.209868|0.301204|0.500000| |3.703285|3.432855|6.369335|3.133347|4.961002|2.969426|0.081907|3.205538|2.686830|2.493372|2.126278|1.943095|2.017487|2.342755|3.324491|0.062204|3.069353|1.574253|3.459195|2.008447|5.457080|5.068007|8.355109|6.841648|12.424785|0.182517|17.612098|8.776844|6.629071|4.643001|3.719521|3.649659|4.394148|6.260880|7.321433|5.223935|2.691065|5.342284|2.797489|0.093516|0.129119|0.092578|0.099724|0.079837|0.074020|0.051666|0.040767|0.043243|0.044017|0.059751|0.057841|0.050564|0.109045|0.147192|0.213280|0.500000| |4.854231|4.779004|9.027333|4.300258|6.648405|3.845627|0.105612|3.982793|3.160046|2.782831|2.341391|2.173976|2.319747|2.776302|4.083523|0.075989|3.378989|1.738066|3.709360|2.098887|6.743857|6.819577|12.356213|7.322004|12.315981|0.218389|17.648731|8.800458|5.522666|4.092994|3.252395|3.110247|3.609153|4.920041|5.625201|4.550360|2.346474|4.808104|2.594826|0.116810|0.174353|0.114270|0.144712|0.104691|0.080343|0.059385|0.044461|0.047908|0.048992|0.062176|0.059995|0.052324|0.124028|0.144944|0.201369|0.299571|0.500000| |3.335943|3.263746|5.648524|2.899475|4.879526|2.628841|0.074321|2.625365|2.231285|2.032896|1.785172|1.688150|1.784759|2.047298|2.994657|0.057811|2.698450|1.415914|2.906486|1.651683|4.107980|3.722360|7.016304|4.149898|7.652512|0.147846|9.009203|17.572288|8.863596|6.982490|4.693432|3.968146|4.241505|5.761989|4.948758|5.564304|2.686393|6.741393|3.762921|0.089451|0.109175|0.080228|0.102244|0.077456|0.058352|0.046777|0.036713|0.039202|0.039887|0.048350|0.047140|0.042145|0.078895|0.097446|0.113737|0.218880|0.208015|0.500000| |3.302388|3.489318|6.304157|3.388012|5.752946|3.085420|0.090491|2.980649|2.464202|2.185308|1.904701|1.816800|1.952323|2.277111|3.414753|0.065993|2.877797|1.512944|3.057622|1.716328|4.640979|4.445392|9.204368|4.655905|9.144996|0.209967|8.894704|17.522000|8.855083|6.564407|4.563126|3.977032|4.360869|6.056277|5.331488|5.568097|2.712988|6.508022|3.563568|0.085988|0.104744|0.079453|0.112231|0.082644|0.061949|0.051230|0.038942|0.042287|0.042524|0.049693|0.049311|0.043530|0.085723|0.108688|0.116664|0.173674|0.220653|0.304287|0.500000| |2.330590|2.352931|4.139387|2.241566|3.892560|2.106790|0.061105|2.077227|1.814778|1.674796|1.501009|1.434558|1.511019|1.698727|2.477191|0.048612|2.325814|1.234293|2.473789|1.405114|3.152261|2.760607|5.256183|3.034533|5.377417|0.111781|4.594475|7.093788|8.905642|17.756552|8.981902|5.616734|4.966425|5.677059|4.090371|7.618765|3.325533|12.636090|7.472811|0.063405|0.071829|0.058181|0.072528|0.058604|0.047815|0.040083|0.032233|0.034465|0.034561|0.040504|0.040344|0.036284|0.061089|0.077314|0.080359|0.117992|0.109701|0.206525|0.183320|0.500000| |1.960563|1.961563|3.728313|2.045852|3.406246|2.103092|0.061620|2.221700|1.972233|1.890198|1.676272|1.550219|1.587586|1.776093|2.490509|0.047666|2.512587|1.306434|2.804594|1.640875|3.526079|3.045113|5.293965|3.776175|6.342694|0.123537|3.941079|4.082923|5.648124|4.965522|5.622352|8.991496|17.744736|8.867094|7.165186|12.634969|7.472164|7.628991|3.327180|0.051162|0.060435|0.051590|0.056755|0.049264|0.055796|0.041320|0.034312|0.036595|0.035760|0.046793|0.048693|0.042301|0.071525|0.111147|0.096557|0.108945|0.090395|0.097962|0.101339|0.107791|0.500000| |2.443010|2.472154|4.922206|2.692127|4.328750|2.850885|0.084214|3.122305|2.659382|2.505056|2.141202|1.944648|2.002704|2.309335|3.240141|0.060500|3.080308|1.575241|3.505368|2.049845|5.310596|4.946986|8.152043|7.093616|12.389635|0.226175|5.630201|4.917104|5.728655|4.244455|3.986425|4.736516|7.094164|8.850596|17.610687|6.800480|3.803569|5.588765|2.690851|0.061700|0.076537|0.064321|0.070794|0.060813|0.074943|0.051187|0.040894|0.044123|0.043013|0.058698|0.061586|0.051666|0.106922|0.228760|0.159057|0.146517|0.126692|0.109569|0.123293|0.097888|0.211888|0.500000| |2.659103|2.572638|4.996802|2.613932|4.168927|2.674036|0.075965|2.976058|2.560934|2.454363|2.098265|1.887853|1.925063|2.205881|3.060803|0.057082|3.001630|1.529811|3.466959|2.054590|5.128449|4.632829|7.318268|7.217152|12.424760|0.181482|6.934428|5.450873|6.096435|4.374968|3.967546|4.516045|6.437088|8.769388|17.575197|6.431970|3.512920|5.557523|2.715132|0.067409|0.085875|0.069947|0.073102|0.062547|0.074523|0.049091|0.039870|0.042334|0.042052|0.060106|0.060907|0.051897|0.106995|0.200019|0.197290|0.217002|0.145083|0.126859|0.123593|0.101874|0.177859|0.301266|0.500000| |1.597736|1.614964|3.035362|1.695980|2.882803|1.745621|0.051406|1.806399|1.640278|1.579915|1.432289|1.344430|1.375947|1.512369|2.121417|0.041206|2.208264|1.162230|2.418705|1.405750|2.753850|2.291882|4.076885|2.630902|4.137230|0.084779|2.715337|2.901532|3.715858|3.779861|4.725847|7.027885|6.682920|4.534836|3.857485|16.432512|17.567238|7.535353|3.238606|0.042242|0.048131|0.042294|0.046752|0.041361|0.046009|0.036246|0.030715|0.032734|0.031748|0.039628|0.041582|0.036697|0.055630|0.077163|0.068019|0.074186|0.066016|0.072927|0.076237|0.087873|0.224048|0.115433|0.099241|0.500000| |1.610926|1.597769|2.976126|1.634711|2.761664|1.666897|0.048319|1.745237|1.591814|1.548907|1.404125|1.308773|1.329910|1.457645|2.028949|0.039283|2.154348|1.130010|2.386411|1.399738|2.682224|2.214851|3.867256|2.600988|4.065983|0.079978|2.755446|2.906693|3.728547|3.791595|4.741605|7.051488|6.692821|4.546210|3.871288|16.434486|17.568941|7.554806|3.246734|0.042780|0.048901|0.042746|0.046024|0.040802|0.045484|0.034932|0.029950|0.031607|0.030935|0.039796|0.041242|0.036631|0.054917|0.075526|0.069378|0.078230|0.066318|0.074876|0.073753|0.088115|0.223192|0.109765|0.106376|0.297977|0.500000| |1.458488|1.461754|2.705205|1.502796|2.571960|1.527565|0.044528|1.573174|1.442685|1.396978|1.278576|1.205549|1.230516|1.340550|1.876542|0.036665|1.994703|1.055220|2.173496|1.263676|2.370914|1.943795|3.459139|2.200895|3.414460|0.069188|2.349275|2.539913|3.179400|3.420523|4.416909|5.908412|4.902023|3.604499|3.056721|17.004410|17.679848|7.836494|3.368351|0.038991|0.043752|0.038648|0.042315|0.037661|0.040575|0.032575|0.028010|0.029632|0.028912|0.035714|0.037086|0.033220|0.048071|0.063325|0.058287|0.065290|0.057815|0.066142|0.066499|0.082250|0.146041|0.087133|0.081619|0.299985|0.299920|0.500000| |1.858444|1.851859|3.231815|1.757929|3.078891|1.669762|0.048029|1.654902|1.484978|1.395057|1.271506|1.219868|1.272749|1.403303|2.020502|0.039967|2.004409|1.070848|2.124631|1.211261|2.464941|2.069805|3.849756|2.255209|3.705171|0.075678|3.009406|3.841938|4.548936|6.692255|7.042068|4.736053|3.789215|3.736195|2.913271|7.545020|3.245361|16.428197|17.576976|0.051408|0.056114|0.047335|0.055904|0.047250|0.039823|0.033991|0.028198|0.029869|0.029954|0.034808|0.034671|0.031628|0.048594|0.059270|0.061042|0.082147|0.074961|0.114308|0.100870|0.223576|0.088040|0.073153|0.076549|0.081734|0.085217|0.084902|0.500000| |1.841506|1.882267|3.312995|1.837404|3.254760|1.750624|0.051108|1.707984|1.524897|1.418053|1.292665|1.249037|1.313586|1.452820|2.113503|0.042036|2.048224|1.098518|2.147681|1.215236|2.521883|2.134207|4.061653|2.276245|3.763403|0.079820|2.963906|3.845970|4.543954|6.690595|7.036610|4.732273|3.788242|3.734864|2.909116|7.539599|3.240547|16.427190|17.576002|0.050580|0.055058|0.046790|0.057355|0.048209|0.040184|0.035217|0.028842|0.030825|0.030704|0.034701|0.034872|0.031672|0.049109|0.060067|0.060153|0.077641|0.074694|0.108266|0.108036|0.223764|0.088039|0.074765|0.073784|0.084866|0.081819|0.084760|0.298019|0.500000| |1.619941|1.633151|2.879129|1.590137|2.802797|1.530416|0.044344|1.511445|1.367828|1.289059|1.183189|1.140196|1.188486|1.301488|1.871239|0.037195|1.882723|1.010258|1.983925|1.129151|2.228321|1.851487|3.449823|1.994586|3.209486|0.066599|2.490288|3.043787|3.606343|4.903825|5.910874|4.420095|3.424216|3.189125|2.547087|7.840673|3.370459|16.998909|17.681328|0.044641|0.048287|0.041682|0.048962|0.042142|0.036682|0.031875|0.026669|0.028295|0.028173|0.032223|0.032402|0.029602|0.043963|0.053431|0.053440|0.067380|0.062859|0.086373|0.082594|0.146046|0.082319|0.066284|0.066507|0.084780|0.084959|0.092026|0.299885|0.299879|0.500000| 1688.432667 -11555.049551 4574.389779 -224.279076 -5516.506181 3825.829204 -1690.676977 2.001329 408A40000000000C 453983B3DF2AAF5C 44B88E265F704C60 41FCE03BB1BFFFFF 4044800000000000 4376FCF1C08B8DDC