Version2.0 2020-02-02T14:49:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(cc4F)F)N5CCCCC5 C39678251 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(cc4F)F)N5CCCCC5 C01[X(C28H35F2N4O2)] 207 C1 610 Fc1ccc(c(c1)F)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccccc1N1CCCCC1 Fc1ccc(c(c1)F)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccccc1N1CCCCC1 Fc1ccc(c(F)c1)C(=O)N2C[C@H](C(=O)NCc3ccccc3N4CCCCC4)C5(CC[NH2+]CC5)C2 InChIKey=HAIXIPPTLYXCLP-HSZRJFAPSA-O InChI=1S/C28H34F2N4O2/c29-21-8-9-22(24(30)16-21)27(36)34-18-23(28(19-34)10-12-31-13-11-28)26(35)32-17-20-6-2-3-7-25(20)33-14-4-1-5-15-33/h2-3,6-9,16,23,31H,1,4-5,10-15,17-19H2,(H,32,35)/p+1/t23-/m1/s1 InChI=1/C28H34F2N4O2/c29-21-8-9-22(24(30)16-21)27(36)34-18-23(28(19-34)10-12-31-13-11-28)26(35)32-17-20-6-2-3-7-25(20)33-14-4-1-5-15-33/h2-3,6-9,16,23,31H,1,4-5,10-15,17-19H2,(H,32,35)/p+1/t23-/m1/s1/fC28H35F2N4O2/h31-32H/q+1 c1ccc(c(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(cc4F)F)N5CCCCC5 C01[X(C28H35F2N4O2)] 207 C01 610 Fc1ccc(c(c1)F)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccccc1N1CCCCC1 Fc1ccc(c(c1)F)C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCc1ccccc1N1CCCCC1 Fc1ccc(c(F)c1)C(=O)N2C[C@H](C(=O)NCc3ccccc3N4CCCCC4)C5(CC[NH2]CC5)C2 InChIKey=KPNBACBJZFFENH-HSZRJFAPSA-N InChI=1S/C28H35F2N4O2/c29-21-8-9-22(24(30)16-21)27(36)34-18-23(28(19-34)10-12-31-13-11-28)26(35)32-17-20-6-2-3-7-25(20)33-14-4-1-5-15-33/h2-3,6-9,16,23H,1,4-5,10-15,17-19,31H2,(H,32,35)/t23-/m1/s1 InChI=1/C28H35F2N4O2/c29-21-8-9-22(24(30)16-21)27(36)34-18-23(28(19-34)10-12-31-13-11-28)26(35)32-17-20-6-2-3-7-25(20)33-14-4-1-5-15-33/h2-3,6-9,16,23H,1,4-5,10-15,17-19,31H2,(H,32,35)/t23-/m1/s1/f/h32H 4023.2575106916 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2.8732 1.4792 1.7338 1.8732 1.3833 2.7003 1.4614 1.9282 2.3568 2.0878 2.4502 2.4227 1.6648 2.4527 2.2223 2.2306 2.7201 1.8260 1.8124 1.7445 2.5632 2.3628 1.2340 1.9883 2.3468 1.6036 2.2672 2.6020 2.0971 1.6199 1.3782 1.2476 2.1048 1.4989 1.8885 2.0022 1.7468 1.4724 1.6581 1.2289 1.6162 1.1745 3.1168 1.3083 1.2015 1.2661 1.3853 1.4767 1.2990 1.4297 1.5380 1.3857 1.4597 1.4731 1.4321 1.8538 1.4508 1.8282 1.3951 1.7478 1.4439 1.5263 1.3861 4.8515 2.1293 1.1045 1.0998 1.0866 1.1346 1.0831 1.0885 1.1139 1.0957 1.0902 1.1025 2.4300 1.0973 1.1618 2.8472 2.1189 5.8933 8.3429 5.5066 1.1165 5.5263 8.5441 12.3448 1.0742 1.0726 1.0696 1.0708 1.0749 1.0632 1.0734 1.0948 1.0833 1.0950 1.1019 1.0944 1.0637 1.0757 1.0695 1.0842 1.0609 1.0666 1.1040 1.0976 1.0939 1.1097 1.0995 1.1016 1.1034 1.0879 1.0911 1.0942 1.0982 1.0912 1.0971 1.0952 1.0560 1.0960 1.0785 0.0002 0.0005 0.0013 0.0029 0.0048 0.0052 0.0050 0.0120 0.0188 0.0231 0.0223 0.0225 0.0284 0.0489 0.0727 0.0694 0.0889 0.0888 0.1099 0.1500 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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 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 10786.8181 32267.6095 36935.2443 0.99989 -0.01032 -0.01034 0.01028 0.99994 -0.00359 0.01038 0.00349 0.99994 1 0.00803 0.00268 0.00235 0.16731 0.05593 0.04886 10.55 18.72 30.29 38.27 54.47 61.02 67.32 85.09 114.69 126.54 140.14 141.62 153.90 202.62 218.56 238.35 263.02 296.98 320.84 332.35 338.43 376.27 382.82 396.39 409.26 412.79 443.72 452.15 472.70 486.97 507.14 534.31 550.04 560.97 596.23 610.68 621.61 646.28 699.12 707.17 723.71 739.70 750.20 763.70 772.63 805.40 818.92 832.53 887.15 888.91 934.10 956.64 979.35 986.40 1004.04 1042.16 1100.35 1130.35 1153.36 1158.27 1198.71 1206.00 1220.53 1242.86 1243.38 1252.30 1263.93 1269.43 1285.47 1286.01 1312.76 1335.45 1353.43 1361.43 1363.41 1378.17 1382.93 1405.94 1432.70 1445.39 1448.32 1459.12 1518.74 1528.05 1532.25 1538.95 1558.12 1566.05 1577.54 1589.42 1605.06 1619.03 1621.30 1629.38 1634.49 1638.14 1654.66 1663.57 1669.51 1686.60 1730.54 1736.18 1759.67 1775.03 1779.27 1786.24 1791.24 1840.06 1840.58 1844.52 1849.77 1882.09 1894.36 1905.50 1910.45 1921.14 1933.04 1950.95 1952.86 1967.87 1974.30 1984.74 1999.19 2006.73 2017.22 2038.36 2041.78 2074.66 2082.58 2085.55 2091.27 2105.69 2118.02 2143.58 2160.96 2180.14 2191.61 2195.93 2199.57 2206.03 2209.34 2220.02 2232.96 2240.17 2250.21 2254.67 2260.22 2275.74 2299.96 2331.64 2340.83 2344.14 2348.11 2355.45 2361.06 2366.29 2367.60 2380.40 2388.13 2401.69 2404.72 2408.56 2418.13 2436.21 2460.22 2563.00 2571.66 2600.72 2629.80 2632.24 2756.00 2785.58 4529.59 4544.84 4573.01 4598.72 4600.05 4603.23 4614.34 4663.30 4667.03 4668.90 4677.37 4680.97 4689.85 4699.02 4703.15 4706.04 4717.55 4731.11 4746.67 4749.05 4795.07 4800.89 4806.58 4817.96 4836.05 4837.75 4851.27 4870.56 4885.08 4900.38 4920.31 4920.89 5277.64 5369.59 5576.78 0.653950 0.683799 0.684743 0.588674 -1646.264474 -1646.234625 -1646.233681 -1646.329751 3.222204D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE c1ccc(c(c1)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(cc4F)F)N5CCCCC5 C39678251 RHF 6-31G(d) (6D,10F) C1 497.272808 |X|Y|Z| 66.219788 124.992048 43.408835 71.091242 32 6 7 28 4 |36.858105| |13.789108|36.858105| |7.947776|13.737064|36.858105| |6.832881|7.895603|13.729230|36.858105| |7.888192|6.845177|7.923456|13.620944|36.858105| |13.742959|7.968637|6.911570|7.925129|13.735727|36.858105| |5.016987|4.432461|5.011164|7.515867|12.574307|7.583574|36.858105| |4.056018|3.769871|4.331246|6.120711|7.686625|5.422548|13.076325|53.358707| |3.691344|3.349569|3.634590|4.634131|5.719646|4.762167|7.763319|19.374371|36.858105| |3.743110|3.241142|3.340185|4.069291|5.254395|4.883815|6.764589|11.533082|15.772923|73.516695| |3.038687|2.886445|3.161167|3.826257|4.211792|3.616909|5.016987|10.725560|12.466182|14.176423|36.858105| |2.838997|2.769760|3.121752|3.822676|4.016067|3.336502|4.825652|10.407628|8.896343|10.525105|17.572530|0.500000| |3.170987|3.071099|3.323405|3.824505|4.026828|3.598980|4.243485|7.897191|7.603380|10.784063|12.286491|0.242782|36.858105| |2.783956|2.647189|2.751991|3.048264|3.266091|3.093031|3.430580|5.875264|5.721716|9.587819|8.001927|0.165123|13.062174|53.358707| |2.599601|2.415741|2.489740|2.796336|3.098277|2.956148|3.422487|5.826963|6.018815|11.022063|7.946450|0.159235|7.926765|17.868531|36.858105| |2.541063|2.390195|2.537584|2.944933|3.247413|2.951482|3.804958|6.975626|7.365182|11.674922|12.258177|0.242412|7.788841|11.145954|12.372245|36.858105| |2.387833|2.211908|2.326303|2.710002|3.061094|2.810071|3.743143|6.483986|6.446744|11.458061|7.334046|0.173269|4.975586|6.960510|7.396882|12.385807|36.858105| |2.032040|1.894043|1.967867|2.229839|2.469227|2.325234|2.895230|4.696081|4.280952|7.868931|4.822752|0.121281|3.830344|5.745969|5.976181|7.465426|12.509984|36.858105| |1.845312|1.754570|1.841889|2.069982|2.226354|2.075032|2.559508|4.170835|3.632490|6.296609|4.366444|0.117292|3.607063|5.361161|5.068084|6.438911|7.671769|12.639881|53.358707| |1.695488|1.613617|1.682199|1.868738|2.001505|1.887117|2.268680|3.600978|3.072660|5.422302|3.567671|0.095981|3.082532|4.633383|4.250868|4.901003|5.667897|9.156855|25.689263|0.500000| |1.816980|1.737709|1.841339|2.083982|2.227500|2.048992|2.590838|4.233227|3.574939|6.039460|4.249957|0.120030|3.418983|4.825806|4.331647|5.772543|7.038713|9.207490|25.678252|0.328389|0.500000| |1.897786|1.824679|1.924754|2.148740|2.273084|2.111421|2.553357|4.242102|3.724873|6.259968|4.883046|0.130991|4.278514|6.620324|5.991904|7.405357|6.474287|7.589091|17.204839|0.254507|0.255471|36.858105| |2.180636|2.105904|2.258011|2.570295|2.712431|2.457977|3.082802|5.430252|4.919862|7.698799|7.594901|0.206313|6.135654|8.785037|7.505512|12.313801|7.606369|6.513740|10.464863|0.157664|0.195240|12.509394|36.858105| |2.685292|2.578940|2.623677|2.790381|2.928510|2.865686|2.935317|4.729888|4.256131|7.418188|5.194794|0.119227|7.889309|19.069957|7.546264|5.209201|3.801371|3.371834|4.374373|0.080432|0.080783|3.900537|4.638775|36.858105| |2.847235|2.799620|2.847786|2.952824|3.009618|2.953018|2.899440|4.581049|3.910765|6.664820|4.576269|0.109951|7.132653|11.640697|5.325902|4.211880|3.211708|2.836377|3.721814|0.069032|0.070460|3.245104|3.860909|15.890815|73.516695| |2.319003|2.209299|2.208488|2.317447|2.446744|2.446674|2.468271|3.843166|3.394177|6.181448|3.940168|0.093535|5.006182|10.486063|6.305398|4.322377|3.420146|3.256914|4.241317|0.080575|0.076699|3.733397|4.004462|12.668643|14.460006|36.858105| |2.309271|2.186164|2.134433|2.192203|2.317943|2.383691|2.287576|3.438993|2.959404|5.518783|3.229487|0.077923|3.963978|7.209802|4.641383|3.414231|2.871394|2.754051|3.535566|0.068331|0.064893|2.965876|3.125413|7.671965|11.709772|13.665756|36.858105| |2.014433|1.909177|1.857488|1.898473|2.003132|2.067517|1.988236|2.944307|2.490601|4.668048|2.681733|0.066124|3.120726|5.394809|3.742381|2.890159|2.534436|2.518388|3.261949|0.064495|0.059814|2.685375|2.713328|5.050002|8.020958|7.862068|13.801755|36.858105| |1.811305|1.725294|1.699343|1.752822|1.844367|1.876744|1.861563|2.779108|2.349899|4.367287|2.577047|0.064292|2.915228|5.054979|3.654212|2.873410|2.546250|2.619217|3.465677|0.069729|0.062830|2.875708|2.788518|4.462826|6.879923|6.881117|8.035976|13.797271|36.858105| |1.806104|1.727837|1.727161|1.804811|1.895751|1.895602|1.942707|2.959142|2.530169|4.635225|2.872984|0.071727|3.233534|5.804906|4.265610|3.323426|2.882119|3.018142|4.097743|0.082503|0.072961|3.535389|3.333876|4.976420|7.268062|7.848017|6.871498|7.883352|13.821443|36.858105| |2.015562|1.930018|1.946717|2.054667|2.160233|2.136299|2.222196|3.465359|3.029367|5.476302|3.577665|0.087427|4.202761|8.288050|5.771383|4.191696|3.404122|3.440978|4.659109|0.090520|0.082421|4.227278|4.179403|7.449529|9.712674|13.793399|8.050673|6.932801|8.097104|13.837392|36.858105| |1.950252|1.881535|1.931465|2.067722|2.161326|2.090829|2.266438|3.614579|3.165533|5.556144|3.939277|0.098104|4.471098|8.652941|6.256329|4.872660|3.822707|3.936679|5.670115|0.108898|0.098540|5.676322|5.380788|6.565375|8.733407|8.103064|5.293823|4.660339|5.343429|8.216037|14.214073|97.533100| |1.630082|1.555366|1.527607|1.568087|1.645683|1.679729|1.660807|2.448258|2.038287|3.791009|2.201578|0.055749|2.428921|4.034921|2.971219|2.440107|2.227535|2.326333|3.097136|0.063375|0.056638|2.508537|2.391947|3.409701|5.452585|4.661077|5.328834|8.177378|14.446822|8.222373|5.359660|9.247661|97.533100| |4.510740|5.094370|7.708847|13.269954|7.819266|5.139448|6.656898|8.548570|4.523234|6.684615|3.955665|0.117361|3.812021|4.049887|2.735843|3.002643|2.755997|2.261885|2.915999|0.053450|0.060854|2.230700|2.701209|2.675605|4.988721|2.220768|2.062035|1.796422|1.684466|1.758299|2.006451|4.639644|3.397602|53.358707| |3.786606|4.438992|6.431311|7.803953|5.301232|4.019142|4.675555|6.768189|3.974027|5.862918|3.831402|0.116375|3.929380|4.125640|2.689230|2.926677|2.597271|2.167344|2.863109|0.052608|0.059632|2.245656|2.736122|2.775147|5.307442|2.277239|2.100020|1.822902|1.712130|1.795084|2.058490|4.787393|3.444631|17.742222|36.858105| |2.945856|3.286937|4.280608|5.065454|4.021127|3.168546|3.962105|6.030601|3.626603|5.310236|3.693447|0.119170|3.624367|3.871550|2.569349|2.892144|2.587172|2.179441|2.948708|0.054110|0.062470|2.314819|2.821878|2.570676|4.810323|2.141069|1.948587|1.710811|1.634294|1.734754|1.983141|4.710666|3.304300|10.572295|12.476783|36.858105| |2.697522|2.993938|3.822003|4.431341|3.603521|2.888489|3.606732|5.126710|3.075564|4.654525|3.024541|0.095672|2.880663|3.216716|2.203406|2.475541|2.306531|1.975750|2.667413|0.049453|0.057002|2.043964|2.415792|2.152665|3.975624|1.843879|1.699708|1.515644|1.455096|1.535852|1.727595|4.088166|2.975070|8.932341|7.567702|12.455502|36.858105| |2.964669|3.219865|4.116827|5.082901|4.220661|3.272558|4.355449|5.787622|3.307656|5.041861|3.069753|0.095391|2.824584|3.172346|2.222974|2.508740|2.404919|2.037547|2.693567|0.049868|0.057646|2.019504|2.374382|2.101997|3.832954|1.811082|1.679144|1.500023|1.436513|1.509620|1.692529|3.980287|2.941862|10.541079|6.565075|7.583824|12.456806|36.858105| |3.828250|4.283575|5.928196|7.883639|5.782330|4.236595|5.353536|6.462390|3.585867|5.530544|3.172102|0.094719|2.989450|3.333079|2.313530|2.546729|2.423028|2.035064|2.638656|0.048867|0.055604|1.983539|2.337476|2.226155|4.104141|1.903468|1.783642|1.582135|1.496075|1.557161|1.749079|4.051089|3.053595|17.689118|7.863807|6.569033|7.561585|12.483975|36.858105| |17.724306|8.913060|5.645722|4.931700|5.626909|8.911023|4.097316|4.661891|3.244409|6.032243|2.721947|0.070152|2.854664|3.531973|2.447760|2.348475|2.226854|1.927720|2.376631|0.044907|0.047499|1.789401|2.023658|2.549273|4.785907|2.252743|2.289357|2.017694|1.802034|1.774722|1.957853|4.212829|3.670713|4.894185|3.134904|2.531254|2.342471|2.546822|3.165382|0.500000| |8.917036|17.721148|8.924383|5.632909|4.937875|5.654441|3.545624|4.253232|2.848948|4.940303|2.531570|0.067747|2.725847|3.271516|2.188278|2.144290|1.985688|1.728757|2.196913|0.041525|0.044329|1.682986|1.919190|2.391154|4.657439|2.080370|2.086118|1.838853|1.657848|1.647359|1.822857|3.974949|3.383788|5.632714|3.838940|2.941083|2.711157|2.848786|3.645414|0.214343|0.500000| |5.661527|8.948380|17.733340|8.914548|5.635636|4.973333|4.080329|5.057559|3.167692|5.135667|2.874545|0.080398|3.050692|3.462674|2.285906|2.338261|2.135535|1.829709|2.365301|0.044268|0.048422|1.826588|2.132050|2.453253|4.779597|2.077987|2.007467|1.758636|1.617089|1.645545|1.846868|4.140421|3.284588|9.594045|6.897730|4.532990|4.081092|4.182493|5.842575|0.124358|0.216498|0.500000| |8.929515|5.662860|4.971555|5.641616|8.941491|17.711522|7.073376|7.002710|4.821412|9.562019|3.570956|0.089628|3.467613|4.202306|3.053346|3.013043|2.947021|2.443275|2.908720|0.054106|0.058278|2.143770|2.464120|2.843472|5.081594|2.474886|2.425068|2.117121|1.922657|1.935180|2.168559|4.749611|3.879290|5.680236|3.372128|2.789831|2.571074|2.908729|3.586066|0.215438|0.124299|0.107861|0.500000| |4.799325|3.995817|4.192557|5.577430|8.900119|7.370013|17.672507|12.611825|7.442287|13.836561|4.685211|0.119940|3.936288|4.567082|3.484187|3.793368|3.910380|3.033019|3.541857|0.064365|0.072516|2.543120|3.001317|2.877712|4.958480|2.472927|2.312261|2.023267|1.893602|1.966021|2.231942|5.078149|3.811309|6.611507|3.713971|3.246441|3.008685|3.555457|4.190008|0.114286|0.090877|0.096204|0.228709|0.500000| |4.286553|3.970577|4.605195|6.745422|8.847510|5.869458|17.613735|12.607054|5.886940|9.151293|4.277152|0.120859|3.598629|4.033490|2.976859|3.374117|3.406705|2.697690|3.301401|0.060075|0.069343|2.391679|2.846239|2.564359|4.511836|2.194098|2.036848|1.795459|1.698109|1.775654|2.010056|4.652749|3.440384|9.297469|4.614641|4.093605|3.951839|5.154534|6.265586|0.099277|0.090415|0.108357|0.152125|0.303316|0.500000| |3.771254|3.704382|4.476202|6.412196|6.795867|4.735192|9.159662|26.044595|9.404704|10.852035|7.518616|0.237247|5.828605|5.658577|3.949364|4.792192|4.279460|3.200313|4.031867|0.071155|0.084577|3.079557|4.006292|3.388164|5.957662|2.728010|2.426060|2.080182|1.972997|2.111616|2.476785|5.882869|3.916923|10.444860|6.236081|5.695823|4.564290|5.029022|5.433071|0.088116|0.086130|0.110139|0.119734|0.181108|0.222776|0.500000| |2.904311|2.912930|3.219335|3.636599|3.620691|3.200067|3.732044|6.731482|5.710081|8.181618|8.665381|0.225341|17.609319|12.401850|5.956905|6.201780|4.209566|3.405770|4.601359|0.081127|0.090535|4.124896|5.896753|6.924839|12.325805|4.575113|3.643901|2.923453|2.767131|3.090967|3.978077|9.798708|5.232972|5.140577|4.149486|3.952904|3.042198|2.871199|2.974048|0.072598|0.072876|0.084609|0.084039|0.094230|0.091292|0.148764|0.500000| |3.808563|3.671129|3.946593|4.522224|4.792358|4.322252|4.723494|8.390400|7.592103|11.182004|8.662510|0.186471|17.609194|12.321088|6.205068|5.775970|4.223164|3.313879|4.165015|0.074248|0.081211|3.473002|4.585987|7.133170|13.077833|4.639180|3.934020|3.072889|2.785080|2.979108|3.749884|8.494562|5.259152|5.796852|4.330292|3.728948|2.953487|2.929479|3.226347|0.093650|0.088969|0.098212|0.112887|0.119988|0.107328|0.168029|0.303699|0.500000| |2.289178|2.141518|2.191418|2.417150|2.639268|2.551045|2.877992|4.716481|4.525608|8.369191|5.662599|0.126625|5.762869|12.372553|17.692482|8.646445|6.341507|6.174433|7.442268|0.131936|0.123090|6.725583|7.011364|6.817480|8.526921|6.891013|4.891830|4.097243|4.216318|5.233841|7.275125|18.637498|7.598058|3.235122|2.358504|2.283594|1.985812|1.990919|2.051683|0.060680|0.054648|0.056544|0.073340|0.081743|0.071169|0.090440|0.134518|0.131491|0.500000| |2.807268|2.538202|2.566014|2.883394|3.304746|3.242034|3.662200|6.017206|6.392614|13.614448|6.889466|0.138935|6.628091|12.312293|17.596495|8.821353|7.034878|5.607208|5.991195|0.105557|0.106635|4.706350|5.497020|6.411965|8.597847|5.648020|4.584126|3.726911|3.530638|3.906933|4.946507|11.039528|6.544633|3.734144|2.626768|2.459960|2.138518|2.197886|2.327017|0.074074|0.063497|0.064461|0.095754|0.107449|0.086758|0.108428|0.137420|0.164607|0.301488|0.500000| |2.578764|2.334455|2.419172|2.826003|3.303875|3.092772|4.106493|6.839553|7.040242|14.684626|6.592718|0.149592|4.699385|6.562559|6.893273|8.790205|17.649621|8.983995|7.615076|0.126891|0.143858|4.861512|5.515953|3.689238|5.594713|3.342810|2.890736|2.550978|2.517927|2.776923|3.232743|7.785170|4.972001|3.805851|2.572021|2.500057|2.249032|2.388632|2.459491|0.067128|0.057854|0.060838|0.092653|0.125327|0.101521|0.118769|0.107533|0.117359|0.160246|0.215593|0.500000| |2.341321|2.190354|2.340307|2.766372|3.097222|2.769266|3.908793|6.857384|6.240305|10.220151|6.839712|0.184000|4.495154|5.830933|5.447031|8.807486|17.496476|8.907632|9.414109|0.144453|0.206723|5.682264|6.810463|3.290931|5.127342|2.934198|2.507572|2.232262|2.239397|2.509776|2.916615|7.373739|4.468142|3.934408|2.699047|2.751645|2.483008|2.614006|2.577833|0.060112|0.054463|0.059941|0.079770|0.111352|0.102216|0.128211|0.110123|0.107822|0.132431|0.143979|0.304229|0.500000| |2.009518|1.863793|1.911627|2.135845|2.367506|2.275814|2.707090|4.304475|3.951971|7.542065|4.404363|0.107447|3.750177|5.989409|6.516320|6.689003|8.742103|17.625809|12.432025|0.224096|0.181206|6.954284|5.749388|3.601695|5.267359|3.636418|3.067446|2.832076|2.984485|3.472897|3.925974|9.926576|5.924392|2.901465|2.053606|2.036907|1.841128|1.890298|1.910915|0.053491|0.047517|0.049340|0.066831|0.079321|0.069263|0.081214|0.091835|0.091071|0.207656|0.173859|0.212637|0.173086|0.500000| |1.929482|1.793186|1.857104|2.100909|2.334034|2.208199|2.753566|4.325775|3.787932|7.063559|4.005872|0.103720|3.224701|4.691403|4.562195|5.448984|8.772839|17.626109|12.361214|0.222962|0.224260|5.576163|4.892109|2.854520|4.379450|2.781399|2.426030|2.255720|2.340824|2.638583|2.916901|7.304449|4.772359|2.900649|2.020619|2.037892|1.881709|1.961824|1.951651|0.051067|0.045558|0.047996|0.064909|0.081151|0.072495|0.081623|0.080710|0.079919|0.129145|0.125352|0.212545|0.215719|0.301365|0.500000| |1.874782|1.793906|1.868507|2.059844|2.187027|2.068313|2.413994|3.933864|3.486823|6.060579|4.432147|0.113734|4.155566|6.974752|6.486063|6.599800|5.678294|6.912719|12.407426|0.224412|0.181010|17.662121|8.742362|4.260245|6.104505|4.332220|3.362562|3.072097|3.380344|4.340401|5.242992|16.893819|6.538654|2.860734|2.117194|2.144414|1.894434|1.873504|1.865079|0.049538|0.046200|0.049185|0.058657|0.067422|0.062216|0.078429|0.109624|0.095067|0.234561|0.139857|0.127238|0.131567|0.208083|0.142727|0.500000| |1.748710|1.699723|1.800393|1.994278|2.076135|1.924542|2.306521|3.775907|3.187416|5.303616|4.076264|0.114598|3.693737|5.511324|4.575458|5.424950|4.883573|5.576601|12.361770|0.222307|0.224779|17.624617|8.778513|3.416761|5.224777|3.298480|2.673314|2.459233|2.656669|3.252665|3.770310|11.350623|5.304114|2.848250|2.133899|2.236719|1.987574|1.939757|1.881333|0.045837|0.043832|0.047949|0.053857|0.063220|0.060861|0.077608|0.103275|0.084980|0.139769|0.104014|0.107491|0.128278|0.143014|0.126476|0.301773|0.500000| |2.136982|2.083772|2.269495|2.613458|2.723075|2.416596|3.145340|5.599392|4.777438|7.191412|7.082439|0.229397|5.370763|6.867499|5.497362|8.789828|6.803042|5.687488|9.398508|0.144240|0.205481|8.922441|17.511774|3.832443|5.981144|3.305556|2.683905|2.360243|2.409963|2.811481|3.395625|9.408495|4.741331|3.848844|2.870268|3.063719|2.632691|2.575218|2.472466|0.054673|0.052633|0.059903|0.066700|0.083620|0.082592|0.118553|0.150362|0.116228|0.140318|0.123243|0.139307|0.199342|0.132349|0.127809|0.173367|0.217296|0.500000| |2.179748|2.132318|2.290294|2.568240|2.654038|2.415080|2.915579|5.072149|4.476549|6.977852|6.909597|0.188819|6.805681|9.999000|7.060231|8.741507|5.513615|4.889817|7.634383|0.127199|0.143604|9.020925|17.602142|5.396169|7.979915|4.491553|3.391999|2.896370|2.970844|3.601085|4.684429|14.186907|5.654253|3.670259|2.813111|2.892347|2.427451|2.334598|2.308974|0.056194|0.054326|0.060609|0.066391|0.077760|0.074464|0.106391|0.199889|0.136432|0.186692|0.141346|0.123117|0.139189|0.128951|0.107757|0.214526|0.212680|0.303568|0.500000| |2.556035|2.411575|2.319017|2.349617|2.484211|2.598377|2.395959|3.550736|3.021612|5.655774|3.202298|0.077185|3.999932|6.850088|4.276769|3.236322|2.737768|2.562804|3.257986|0.062573|0.060661|2.690538|2.904886|7.223566|12.605114|8.961405|17.751224|8.948409|5.690363|4.954370|5.708772|9.594139|9.628237|2.954619|2.206807|2.010028|1.749074|1.732318|1.864714|0.070904|0.064168|0.060286|0.073099|0.067139|0.058787|0.069393|0.101431|0.116061|0.118012|0.121380|0.077726|0.067193|0.077874|0.063375|0.082420|0.067612|0.070585|0.087032|0.500000| |1.964459|1.859282|1.788663|1.808228|1.905656|1.991022|1.872784|2.726704|2.272057|4.278860|2.392075|0.059505|2.746963|4.545301|3.174417|2.531856|2.266944|2.247863|2.899982|0.057600|0.053747|2.341343|2.369356|4.113449|6.873358|5.599802|8.866289|17.758325|8.948162|5.637294|4.986483|8.306732|16.680303|2.312647|1.718271|1.605107|1.432966|1.422326|1.506628|0.055303|0.050185|0.047106|0.056737|0.053093|0.047140|0.053464|0.071761|0.076616|0.094183|0.089694|0.064029|0.056115|0.069533|0.056812|0.073077|0.060074|0.058248|0.069549|0.213363|0.500000| |1.656607|1.590790|1.598268|1.673950|1.752179|1.741365|1.809194|2.751801|2.329242|4.239188|2.648230|0.067286|2.893222|5.005801|3.780385|3.098929|2.751757|2.970263|4.149233|0.085616|0.073692|3.565916|3.214802|4.057174|6.089624|5.608052|4.955383|5.621054|8.895232|17.764500|8.899310|16.731750|16.646419|2.240275|1.680884|1.643605|1.465953|1.439019|1.471275|0.045160|0.042184|0.042485|0.049366|0.050835|0.046384|0.054794|0.077858|0.073529|0.129284|0.095669|0.072772|0.067233|0.094740|0.072758|0.122940|0.093369|0.076073|0.095435|0.107625|0.124118|0.500000| |3.695796|4.574163|6.714469|6.773444|4.589794|3.707545|3.899349|5.375853|3.294754|5.055316|3.181307|0.094423|3.333181|3.644492|2.379276|2.530950|2.270061|1.934519|2.563503|0.047613|0.053197|2.006882|2.390174|2.522260|4.885090|2.105663|1.972527|1.726334|1.616786|1.679960|1.905167|4.388533|3.273995|12.203679|17.460309|8.895328|6.829761|5.764741|7.038698|0.085916|0.114222|0.235055|0.086215|0.089361|0.107703|0.128796|0.097819|0.102311|0.058847|0.064899|0.062740|0.065000|0.051368|0.050403|0.053058|0.053351|0.069000|0.068636|0.057899|0.045576|0.043750|0.500000| |3.935057|4.552358|6.279713|7.329319|5.338300|4.160730|4.648926|7.127390|4.385976|6.387882|4.367219|0.129990|4.793409|4.825478|3.026162|3.239299|2.774402|2.298983|3.034008|0.055497|0.062490|2.424308|3.005474|3.254512|6.368993|2.590220|2.368683|2.022142|1.884668|1.979937|2.302695|5.337764|3.752389|12.486891|17.570285|8.812037|5.501434|4.901931|5.688142|0.090730|0.109275|0.178219|0.097193|0.104232|0.119876|0.180631|0.143785|0.151980|0.072856|0.081389|0.076065|0.078593|0.060979|0.058721|0.063905|0.063534|0.086042|0.087542|0.069572|0.052618|0.051053|0.302718|0.500000| |2.664059|2.989077|3.768441|4.170042|3.394954|2.794997|3.301563|5.033857|3.197408|4.770276|3.378691|0.107933|3.446723|3.750680|2.452735|2.719359|2.403144|2.062436|2.832918|0.052321|0.059783|2.257063|2.727009|2.539321|4.811308|2.122754|1.931120|1.699709|1.627991|1.730429|1.974906|4.702127|3.295325|7.656735|8.871624|17.541855|8.797519|5.506812|4.915084|0.064669|0.076227|0.113736|0.069066|0.077608|0.092868|0.126440|0.108025|0.097304|0.061322|0.064508|0.063958|0.070195|0.053930|0.053374|0.058345|0.061332|0.081808|0.079314|0.055191|0.044284|0.045640|0.217204|0.212152|0.500000| |2.857365|3.072883|3.867036|4.760218|4.054640|3.166767|4.271427|7.017755|4.186272|5.912695|4.404806|0.151206|4.117427|4.292432|2.872293|3.355394|2.974318|2.459287|3.344305|0.060580|0.071509|2.632738|3.295665|2.764394|5.068583|2.283499|2.044347|1.788309|1.719431|1.845216|2.128667|5.131961|3.460368|9.512365|8.868142|17.489357|8.843903|6.783008|5.733119|0.068575|0.075735|0.108314|0.078940|0.096901|0.122084|0.195951|0.125380|0.113519|0.070248|0.075437|0.078555|0.089377|0.062989|0.063441|0.066650|0.070410|0.102018|0.092885|0.058031|0.046240|0.048646|0.174175|0.214962|0.302526|0.500000| |2.630629|2.989911|3.810476|4.144657|3.311995|2.733722|3.184011|4.399188|2.705317|4.186614|2.654253|0.081866|2.596279|2.949705|2.010117|2.210406|2.060036|1.788962|2.414726|0.045147|0.051237|1.853598|2.159560|2.011660|3.753970|1.736869|1.618063|1.449198|1.387141|1.453961|1.624288|3.811421|2.847831|7.754517|6.789010|8.868271|17.511192|8.857583|6.766791|0.063847|0.076757|0.118305|0.067266|0.075130|0.095451|0.105009|0.076200|0.074787|0.050715|0.054431|0.056140|0.060801|0.046756|0.047434|0.048208|0.050225|0.064431|0.060765|0.046463|0.038275|0.038541|0.200611|0.139375|0.215779|0.173857|0.500000| |2.357824|2.565186|3.148276|3.595623|3.078934|2.529159|3.178853|4.606401|2.841725|4.325708|2.859906|0.091643|2.688994|3.051698|2.112250|2.397778|2.253282|1.952923|2.674061|0.049711|0.057705|2.043226|2.393188|2.038124|3.727598|1.763726|1.618932|1.453421|1.407478|1.493415|1.673363|3.995476|2.888223|6.694573|5.502212|8.802435|17.549042|8.802751|5.500787|0.057813|0.065287|0.092098|0.063840|0.075521|0.096769|0.112160|0.079415|0.074847|0.053391|0.056505|0.060331|0.068032|0.050265|0.051871|0.052214|0.055813|0.073520|0.066557|0.045887|0.038110|0.039866|0.139742|0.123202|0.209430|0.214938|0.303477|0.500000| |2.689375|2.906032|3.584096|4.189808|3.605095|2.920230|3.702163|4.794034|2.838219|4.446165|2.637377|0.080728|2.437342|2.806923|1.986944|2.221742|2.164260|1.866081|2.471271|0.046165|0.052963|1.836108|2.116826|1.878765|3.416587|1.643517|1.535352|1.384344|1.329534|1.391980|1.545717|3.624619|2.741505|7.642584|4.919152|5.508519|8.802441|17.546542|8.874412|0.065277|0.072800|0.102102|0.073177|0.087340|0.122037|0.110500|0.068570|0.069940|0.049990|0.054806|0.059924|0.065261|0.048217|0.050411|0.047489|0.049260|0.063542|0.057660|0.043932|0.036635|0.037012|0.129387|0.107954|0.123255|0.138855|0.215756|0.209310|0.500000| |2.874399|3.013322|3.735888|4.771821|4.270085|3.275693|4.810307|6.613455|3.687927|5.524207|3.399014|0.107921|2.995455|3.350549|2.387153|2.765107|2.690201|2.248630|2.964842|0.054463|0.064117|2.199465|2.605667|2.178123|3.910325|1.875793|1.723698|1.538993|1.481416|1.567132|1.763042|4.180949|3.028331|9.476014|5.716137|6.774029|8.840856|17.511964|8.896471|0.068977|0.073533|0.101524|0.082634|0.108534|0.164803|0.161875|0.083700|0.084745|0.059102|0.065443|0.073862|0.083039|0.057185|0.060312|0.056053|0.058450|0.079752|0.069980|0.049068|0.040346|0.041585|0.132377|0.127690|0.138764|0.198003|0.173753|0.214938|0.302600|0.500000| |4.010209|4.269003|5.520191|7.431800|6.272422|4.599405|6.014226|6.559973|3.614083|5.713884|3.075670|0.090077|2.839656|3.221719|2.281843|2.507253|2.444191|2.051075|2.622457|0.048662|0.055242|1.941407|2.264778|2.144825|3.908200|1.853110|1.746065|1.555847|1.471026|1.525853|1.705319|3.933121|3.011258|12.461764|5.690092|4.912856|5.506310|8.836617|17.592458|0.092271|0.099755|0.141367|0.109502|0.131855|0.213943|0.143478|0.076679|0.085137|0.056237|0.064704|0.070038|0.072404|0.053459|0.055172|0.050825|0.050856|0.066202|0.061339|0.050703|0.041275|0.040069|0.143680|0.127699|0.108028|0.128354|0.139046|0.123371|0.212165|0.216705|0.500000| |3.760514|4.431511|6.188500|6.894795|4.939076|3.907899|4.302900|5.224378|3.060423|4.839910|2.761565|0.081303|2.684393|3.048431|2.100108|2.265505|2.147858|1.835923|2.392673|0.044682|0.050160|1.806402|2.101131|2.078135|3.875310|1.791822|1.696873|1.512479|1.426186|1.474532|1.644947|3.783112|2.923504|12.261890|7.052514|5.741607|6.767227|8.831375|17.441045|0.087242|0.108137|0.186540|0.091446|0.098303|0.132721|0.118596|0.074847|0.080938|0.052261|0.058700|0.060573|0.062705|0.048337|0.048969|0.047569|0.047866|0.061179|0.058234|0.049506|0.040249|0.038707|0.209480|0.144149|0.128697|0.132218|0.197886|0.138740|0.215864|0.173833|0.302932|0.500000| 1645.038891 -11876.806037 4782.880763 -221.289910 -5670.176293 4023.257800 -1646.918493 2.001143 40B440000000001B 452A12BD70CC3C9A 44A9300CFBF0C5A7 4322C08D1D50AA00 383294549C4D9289 4511BAA57795A378