Version2.0 2020-01-31T23:03:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCCC[NH+]1CCN2C(=O)c3ccc(n3C[C@@]2(C)C(=O)NC4CCCCCCC4)c5ccco5 C15678263 RHF 6-31G(d) (6D,7F) C[C@H]1CCCC[NH+]1CCN2C(=O)c3ccc(n3C[C@@]2(C)C(=O)NC4CCCCCCC4)c5ccco5 C01[X(C29H43N4O3)] 231 C1 626 C[C@H]1CCCC[NH+]1CCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC1CCCCCCC1)c1ccco1 C[C@H]1CCCC[NH+]1CCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC1CCCCCCC1)c1ccco1 C[C@H]1CCCC[NH+]1CCN2C(=O)c3ccc(n3C[C@@]2(C)C(=O)NC4CCCCCCC4)c5occc5 InChIKey=ZPRQUIUBDZFRCD-ZTOMLWHTSA-O InChI=1S/C29H42N4O3/c1-22-11-8-9-17-31(22)18-19-33-27(34)25-16-15-24(26-14-10-20-36-26)32(25)21-29(33,2)28(35)30-23-12-6-4-3-5-7-13-23/h10,14-16,20,22-23H,3-9,11-13,17-19,21H2,1-2H3,(H,30,35)/p+1/t22-,29-/m0/s1 InChI=1/C29H42N4O3/c1-22-11-8-9-17-31(22)18-19-33-27(34)25-16-15-24(26-14-10-20-36-26)32(25)21-29(33,2)28(35)30-23-12-6-4-3-5-7-13-23/h10,14-16,20,22-23H,3-9,11-13,17-19,21H2,1-2H3,(H,30,35)/p+1/t22-,29-/m0/s1/fC29H43N4O3/h30-31H/q+1 C[C@H]1CCCC[NH+]1CCN2C(=O)c3ccc(n3C[C@@]2(C)C(=O)NC4CCCCCCC4)c5ccco5 C01[X(C29H43N4O3)] 231 C01 626 C[C@H]1CCCC[NH+]1CCN1C(=O)c2ccc(n2C[C@@]1(C)C(=O)NC1CCCCCCC1)c1ccco1 C[C@H]1CCCC[NH]1CCN1C(=O)[C@H]2CC[C@H](N2C[C@@]1(C)C(=O)NC1CCCCCCC1)c1ccco1 C[C@H]1CCCC[NH]1CCN2C(=O)[C@H]3CC[C@H](N3C[C@@]2(C)C(=O)NC4CCCCCCC4)c5occc5 InChIKey=YULWISJDMBBTAB-KCMDQZHASA-N InChI=1S/C29H47N4O3/c1-22-11-8-9-17-31(22)18-19-33-27(34)25-16-15-24(26-14-10-20-36-26)32(25)21-29(33,2)28(35)30-23-12-6-4-3-5-7-13-23/h10,14,20,22-25,31H,3-9,11-13,15-19,21H2,1-2H3,(H,30,35)/t22-,24-,25+,29-/m0/s1 InChI=1/C29H47N4O3/c1-22-11-8-9-17-31(22)18-19-33-27(34)25-16-15-24(26-14-10-20-36-26)32(25)21-29(33,2)28(35)30-23-12-6-4-3-5-7-13-23/h10,14,20,22-25,31H,3-9,11-13,15-19,21H2,1-2H3,(H,30,35)/t22-,24-,25+,29-/m0/s1/f/h30H 4133.2621296238 -1565.4144795 1-A 21895.0527 134 492 626 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.70432 -20.63266 -20.60690 -15.83455 -15.71025 -15.70884 -15.66949 -11.45963 -11.43821 -11.43373 -11.42330 -11.41771 -11.40705 -11.39945 -11.36898 -11.36846 -11.36761 -11.36645 -11.36409 -11.36352 -11.35510 -11.35395 -11.34036 -11.33532 -11.32886 -11.31450 -11.30153 -11.29729 -11.29451 -11.29374 -11.28737 -11.28173 -11.27864 -11.27458 -11.27212 -11.27091 -1.54616 -1.50544 -1.47910 -1.47375 -1.41798 -1.36862 -1.32007 -1.24474 -1.21399 -1.20811 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 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 15269.9663 26474.9332 35026.8365 0.99962 -0.02722 0.00501 0.02726 0.99960 -0.00726 -0.00481 0.00739 0.99996 1 0.00567 0.00327 0.00247 0.11819 0.06817 0.05152 16.85 23.37 24.50 28.74 45.16 48.07 65.87 86.49 91.43 105.96 111.33 119.22 135.19 161.41 194.72 201.92 230.26 254.28 280.15 298.63 304.46 321.04 327.24 348.54 376.63 399.32 400.50 424.06 448.51 458.26 465.67 509.86 522.19 543.45 555.79 560.78 566.85 579.22 589.76 617.85 630.81 647.83 653.42 664.76 685.46 696.41 711.54 721.22 755.17 762.66 765.22 810.25 856.49 926.14 937.62 946.28 961.92 994.77 1051.28 1083.05 1106.05 1117.00 1173.61 1190.50 1201.59 1211.51 1228.06 1229.59 1244.36 1251.06 1283.96 1297.24 1297.89 1305.73 1310.44 1346.23 1377.28 1379.58 1384.40 1398.59 1405.86 1429.07 1435.36 1455.87 1467.01 1471.22 1475.71 1496.36 1502.55 1526.22 1547.24 1556.51 1561.02 1571.19 1575.37 1583.22 1592.23 1596.87 1602.80 1609.73 1630.93 1677.68 1687.15 1694.09 1702.56 1710.90 1715.66 1720.55 1722.84 1736.35 1751.26 1769.08 1782.40 1812.05 1830.41 1836.34 1858.10 1868.63 1878.44 1907.89 1927.93 1932.93 1958.98 1966.65 1972.84 1977.84 1983.50 1990.97 1998.46 2012.41 2036.14 2046.95 2048.76 2068.23 2082.22 2090.74 2098.82 2112.13 2135.95 2146.90 2150.65 2162.80 2170.29 2172.25 2178.38 2183.25 2185.26 2204.77 2208.18 2217.37 2217.49 2220.68 2224.69 2233.05 2243.54 2246.15 2257.91 2262.00 2263.31 2276.70 2289.66 2302.19 2303.03 2339.75 2343.33 2346.99 2349.88 2352.20 2352.43 2357.53 2360.16 2364.62 2364.96 2369.06 2370.30 2372.84 2381.76 2382.34 2390.12 2401.88 2405.45 2407.35 2448.75 2456.50 2509.18 2611.50 2713.34 2771.26 4557.54 4573.50 4581.15 4599.10 4599.75 4605.46 4611.37 4624.01 4625.20 4631.33 4631.41 4634.00 4642.74 4643.96 4648.33 4658.56 4664.47 4665.98 4676.95 4691.73 4700.16 4709.11 4709.71 4714.17 4719.82 4728.35 4739.37 4746.36 4771.08 4785.57 4794.38 4802.59 4804.90 4837.12 4877.17 4890.66 4950.69 4956.52 4973.11 4975.14 5019.57 5297.73 5635.11 0.753997 0.786250 0.787195 0.685899 -1564.660483 -1564.628229 -1564.627285 -1564.728580 3.397451D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE C[C@H]1CCCC[NH+]1CCN2C(=O)c3ccc(n3C[C@@]2(C)C(=O)NC4CCCCCCC4)c5ccco5 C15678263 RHF 6-31G(d) (6D,10F) C1 495.333517 |X|Y|Z| 82.210175 114.181474 45.814556 75.481682 32 6 7 8 27 4 1 |36.858105| |12.472181|36.858105| |8.818091|17.587041|0.500000| |7.577599|12.423495|0.244577|36.858105| |4.884247|7.416670|0.186612|12.475045|36.858105| |4.370384|6.405026|0.158529|7.610049|12.488451|36.858105| |4.921479|7.572717|0.195113|6.573096|7.622123|12.551066|36.858105| |7.558073|12.507078|0.254055|7.651874|6.469777|7.604366|12.572330|53.358707| |7.118953|9.322225|0.182796|7.205234|5.948944|7.191903|9.290192|25.694454|0.500000| |6.258631|7.432756|0.192083|4.910665|4.357551|4.985903|7.730798|17.175042|0.257948|36.858105| |4.647491|4.990553|0.125375|3.861806|3.558514|4.248393|5.892915|10.332135|0.213859|12.401353|36.858105| |3.615328|3.809342|0.102069|3.062702|2.913957|3.401592|4.515878|6.930626|0.136319|7.742407|13.147690|53.358707| |3.108954|3.434317|0.094674|2.864520|2.860547|3.425247|4.557558|6.179674|0.118498|6.143047|8.015508|18.788690|36.858105| |3.175784|3.701296|0.102282|3.143619|3.265767|4.110289|5.706714|6.918327|0.130015|6.289681|7.331197|11.547587|15.734060|73.516695| |2.561346|2.755167|0.077070|2.362758|2.369901|2.749389|3.431446|4.617535|0.089585|4.296083|5.143176|10.762440|13.150565|14.460150|36.858105| |2.212195|2.398759|0.067579|2.118469|2.171208|2.512427|3.026005|3.916338|0.076246|3.418219|3.879751|6.967486|7.466203|11.311726|13.929476|36.858105| |1.981198|2.098793|0.059194|1.864713|1.888918|2.132495|2.505416|3.323558|0.065215|2.875673|3.222002|5.671442|5.220085|7.852699|8.568850|13.573721|36.858105| |2.076089|2.152845|0.060497|1.885226|1.871097|2.087916|2.468782|3.392117|0.066773|3.014875|3.428719|6.294121|5.306599|7.436615|8.605577|8.484743|13.822016|36.858105| |2.426791|2.517160|0.070321|2.155030|2.115935|2.384321|2.902236|4.071399|0.079858|3.795597|4.503005|9.310663|7.755980|9.495311|13.898314|8.552008|8.601578|14.051791|53.358707| |2.691461|2.698188|0.074872|2.259659|2.156087|2.386255|2.915113|4.313704|0.084928|4.179584|4.997762|10.531735|6.651457|8.336042|7.783023|5.298583|5.243298|7.494121|17.922344|36.858105| |3.180999|3.153332|0.084670|2.596418|2.432325|2.731502|3.391022|5.255625|0.106333|5.318342|7.464403|17.569328|7.611743|9.415990|6.732395|4.583157|4.152963|5.094571|10.563135|12.394669|36.858105| |3.582219|3.319361|0.088547|2.677936|2.415902|2.614764|3.187453|5.239446|0.106332|5.263522|6.445053|10.431094|5.075647|7.188516|4.495008|3.410145|3.197668|3.829550|6.910134|7.742877|12.391145|36.858105| |2.749854|2.710856|0.071472|2.330615|2.203015|2.486266|2.950050|4.453764|0.094105|4.068774|5.728661|10.227780|5.712529|7.806299|5.464502|4.138227|3.881546|4.652900|8.451179|7.624603|12.295881|7.652266|36.858105| |2.481720|2.396026|0.063491|2.086330|1.962150|2.168597|2.511046|3.788431|0.079948|3.356878|4.336265|7.154583|4.280539|6.149186|4.330808|3.502167|3.477246|4.253455|7.062282|6.513239|8.066199|6.764770|15.838281|73.516695| |2.669790|2.700834|0.070319|2.377476|2.287768|2.649065|3.103662|4.543362|0.098386|3.954716|5.763430|9.285338|5.785664|8.401840|5.285043|4.201009|3.771223|4.171260|7.164111|5.448729|7.665577|5.348109|14.222937|15.095631|53.358707| |2.292065|2.305613|0.059987|2.095472|2.032545|2.329237|2.614957|3.751301|0.082023|3.086022|4.106669|6.094967|4.116822|6.450034|3.984708|3.481920|3.259119|3.502157|5.465287|4.022972|4.919500|3.955632|7.729906|12.049319|17.638565|36.858105| |2.096058|2.164625|0.056767|2.004575|1.996116|2.322055|2.570354|3.528762|0.076466|2.827125|3.628753|5.355714|3.974288|6.534119|3.941383|3.681522|3.387480|3.417120|5.102515|3.478113|3.975532|3.188226|5.283578|8.208158|10.720934|12.438909|36.858105| |1.815233|1.863203|0.049048|1.757569|1.757200|2.010624|2.164754|2.953093|0.063840|2.310546|2.821219|4.067709|3.026515|5.102104|3.062038|2.983199|2.851276|2.843904|4.050880|2.784486|3.052939|2.586193|3.857527|6.486524|6.739244|7.267242|12.392564|36.858105| |1.674320|1.693041|0.044846|1.590335|1.574715|1.767403|1.904426|2.633702|0.056470|2.080371|2.494952|3.650971|2.670274|4.413181|2.776551|2.707315|2.704533|2.769662|3.845288|2.688125|2.861546|2.479429|3.646777|6.566462|5.851075|6.157432|7.299122|12.346273|36.858105| |1.638543|1.632401|0.042988|1.541026|1.509389|1.673115|1.784595|2.505178|0.054147|1.961007|2.329148|3.324685|2.362250|3.918674|2.401245|2.298826|2.292589|2.388783|3.359923|2.438700|2.635538|2.378720|3.342660|6.238005|5.172601|5.337848|5.322109|7.302050|12.400852|36.858105| |1.799917|1.765980|0.046108|1.655910|1.597654|1.763148|1.888949|2.709495|0.059160|2.130864|2.563741|3.608382|2.474029|4.062602|2.458401|2.282532|2.253120|2.400261|3.473262|2.614024|2.921037|2.698146|3.822266|7.340211|5.837616|6.155979|5.136320|5.779216|7.196571|12.400310|36.858105| |2.017946|1.983603|0.051061|1.867310|1.795564|2.002241|2.136268|3.083600|0.068700|2.394037|2.941667|3.992798|2.697448|4.486293|2.580200|2.358005|2.257190|2.381848|3.544933|2.683145|3.137649|2.897176|4.109133|7.408772|6.702322|7.246336|5.797210|5.941122|5.777539|7.305386|12.345500|36.858105| |2.355514|2.321575|0.059353|2.139843|2.043902|2.314182|2.534094|3.715568|0.083513|2.954884|3.845770|5.218925|3.404194|5.541647|3.163882|2.786373|2.608347|2.787262|4.316565|3.316396|4.127961|3.682671|5.835081|9.825023|10.616181|12.423762|7.292887|5.828900|5.145698|5.328505|7.293999|12.386976|36.858105| |1.881436|1.914084|0.053766|1.689200|1.662159|1.821089|2.110241|2.938958|0.058234|2.566055|2.861200|4.972439|3.873143|5.688038|5.261924|5.194600|7.498921|13.070907|10.409440|6.102000|4.238977|3.476424|4.046411|7.163768|4.810174|3.122057|2.983567|2.591697|2.634799|2.316024|2.324490|2.242387|2.553304|36.858105| |1.664662|1.691113|0.047385|1.515901|1.498700|1.634176|1.858064|2.567491|0.051232|2.183561|2.414338|4.016074|3.122264|4.780152|4.013103|4.199855|5.911465|7.461504|6.946808|4.323033|3.338795|2.846327|3.347541|6.085052|4.133670|2.825735|2.762830|2.497082|2.605274|2.284775|2.242250|2.116999|2.340758|14.169040|36.858105| |1.587875|1.591900|0.044658|1.428016|1.399982|1.506613|1.700830|2.378187|0.047491|2.013010|2.192471|3.566376|2.679128|4.145070|3.262409|3.280907|4.199120|5.197803|5.564743|3.831784|3.010859|2.702912|3.001779|5.646691|3.639002|2.511035|2.398786|2.203445|2.334384|2.113439|2.101641|1.967796|2.147348|8.572854|13.265729|36.858105| |1.723474|1.712409|0.048174|1.517811|1.473807|1.578033|1.797862|2.549977|0.050684|2.192902|2.374717|3.904894|2.860293|4.354013|3.444243|3.300429|4.074059|5.373392|6.117946|4.521218|3.394459|3.114861|3.263759|6.196759|3.810631|2.557390|2.377685|2.143599|2.244352|2.062648|2.101511|1.992922|2.207597|8.771246|8.606329|14.230524|36.858105| |1.934845|1.935114|0.054530|1.692589|1.642982|1.774962|2.058331|2.926577|0.057811|2.579010|2.824885|4.851225|3.571191|5.249223|4.493304|4.138452|5.191999|7.891215|8.819599|6.458111|4.315267|3.776541|3.959678|7.278216|4.497334|2.894655|2.670630|2.332930|2.388314|2.166845|2.225866|2.150654|2.446751|14.107851|8.622994|8.622799|14.149900|73.516695| |17.595733|8.933195|0.207510|7.193611|4.625518|3.886256|4.109501|7.538689|0.146617|4.682821|3.677798|4.096123|2.658608|4.838390|2.251014|1.980038|1.793369|1.871558|2.925258|2.362579|2.714061|3.043147|2.389474|3.902388|3.160768|2.035330|1.877041|1.650855|1.533406|1.508345|1.649393|1.833920|2.099332|1.715845|1.532705|1.472209|1.593582|3.145064|0.500000| |17.625515|8.666263|0.213903|5.481716|4.014093|3.757854|4.435253|8.970786|0.166235|6.676159|4.863460|5.320451|3.272477|5.761518|2.713497|2.310059|2.084352|2.217696|3.561577|2.979060|3.514110|4.144867|2.939916|4.737873|3.769108|2.343643|2.116113|1.823702|1.697764|1.659026|1.827625|2.026982|2.380026|2.017688|1.769209|1.696248|1.862767|3.739544|0.304338|0.500000| |17.540161|8.769102|0.172826|6.727139|4.507706|4.220403|4.597892|9.476311|0.213761|5.767910|4.783181|4.924364|3.058001|5.511927|2.518117|2.171678|1.949493|2.048378|3.261835|2.666100|3.231377|3.656366|2.879025|4.625408|3.848554|2.445655|2.210754|1.913539|1.759712|1.737361|1.930487|2.196849|2.576078|1.861091|1.653358|1.576201|1.704325|3.390361|0.302901|0.300357|0.500000| |7.004166|8.970420|0.214759|17.580411|8.824919|5.524833|4.926470|7.597239|0.145696|4.079749|3.265471|3.659899|2.520757|4.834112|2.130214|1.926323|1.718744|1.742617|2.682540|2.074319|2.341379|2.450886|2.107347|3.404337|2.891976|1.892362|1.807740|1.603308|1.466216|1.428170|1.532680|1.711260|1.935666|1.579316|1.424630|1.352420|1.439238|2.832017|0.219896|0.144407|0.166120|0.500000| |7.110478|8.878684|0.173658|17.498064|8.841534|6.791374|5.696163|9.309724|0.209813|4.548689|3.835965|4.078381|2.762411|5.329801|2.284742|2.046360|1.809455|1.835763|2.854962|2.207999|2.575191|2.666475|2.364987|3.774535|3.319736|2.173099|2.067881|1.818557|1.640359|1.602406|1.734375|1.979887|2.264967|1.651621|1.488248|1.403209|1.487502|2.938089|0.185310|0.141944|0.206738|0.304342|0.500000| |4.459791|6.634682|0.195029|8.840216|17.530234|8.862092|6.842140|7.678238|0.135921|4.123956|3.297304|3.802983|2.789797|5.665812|2.342239|2.164430|1.886812|1.860972|2.845652|2.118739|2.340735|2.321991|2.094788|3.331240|2.927508|1.907321|1.879495|1.659719|1.497526|1.429598|1.504356|1.670385|1.893530|1.654504|1.491467|1.394908|1.469877|2.912159|0.120126|0.106183|0.109746|0.215403|0.173570|0.500000| |4.089893|5.457247|0.138260|8.867617|17.586659|8.822578|5.530731|6.625611|0.132453|3.538066|3.040765|3.459488|2.504136|5.025697|2.118619|1.966593|1.728266|1.707134|2.596318|1.936204|2.168739|2.155976|2.003419|3.205198|2.848054|1.894332|1.872850|1.672046|1.500349|1.445636|1.525355|1.713976|1.922779|1.529254|1.391467|1.303605|1.365175|2.683068|0.111861|0.094575|0.108811|0.211187|0.216751|0.303628|0.500000| |3.532687|4.820655|0.127893|5.513964|8.787014|17.576831|8.995428|7.569166|0.145707|4.163245|3.688904|4.235229|3.258445|7.084890|2.676486|2.510913|2.122980|2.043248|3.128635|2.252478|2.521100|2.372937|2.316789|3.608665|3.381754|2.212593|2.254010|1.970329|1.726474|1.622015|1.687257|1.900400|2.171393|1.778212|1.605917|1.473917|1.531983|3.053544|0.089544|0.087358|0.094634|0.123357|0.138974|0.215138|0.208519|0.500000| |4.193084|5.620433|0.131758|6.782739|8.808353|17.509541|8.861409|9.309087|0.210655|4.632018|4.262764|4.557434|3.309277|6.923820|2.664984|2.430643|2.075200|2.040284|3.170517|2.340136|2.724408|2.606978|2.547353|3.949482|3.766285|2.464797|2.458736|2.131787|1.855934|1.767017|1.871319|2.159426|2.496956|1.786929|1.610882|1.485385|1.550683|3.089519|0.103235|0.099427|0.119330|0.138975|0.197887|0.173392|0.214362|0.303933|0.500000| |4.616304|7.036813|0.215709|5.887224|6.935544|8.827824|17.613285|12.439638|0.182212|7.086000|5.097067|5.784565|4.427874|9.790799|3.427673|3.059193|2.537540|2.487205|3.946026|2.892176|3.239595|3.059650|2.758642|4.220971|3.858162|2.393717|2.358474|2.004621|1.785961|1.668965|1.754871|1.951068|2.289374|2.126107|1.867334|1.712332|1.815465|3.700454|0.110314|0.119875|0.114004|0.131820|0.134014|0.204108|0.140840|0.213714|0.173272|0.500000| |4.123128|5.562887|0.144971|4.894312|5.500898|8.726387|17.669244|12.326125|0.220319|7.441160|6.706889|7.104932|5.587622|13.777350|4.004329|3.510118|2.814972|2.736506|4.426717|3.180104|3.736227|3.335813|3.277778|4.848335|4.832014|2.944079|2.944406|2.427314|2.099009|1.938387|2.039284|2.316967|2.789178|2.290301|2.006941|1.811852|1.903805|3.907475|0.096326|0.107432|0.111185|0.107967|0.126638|0.140090|0.122892|0.212767|0.210955|0.303283|0.500000| |7.456139|7.378603|0.195263|4.686572|3.926954|4.154460|5.703079|12.241861|0.203483|17.720015|8.800165|8.888591|5.013676|8.569361|3.817601|3.066004|2.673944|2.868926|4.866375|4.140145|5.188169|5.831488|3.909954|5.935084|4.938990|2.878156|2.584130|2.146325|1.970642|1.881885|2.063281|2.294213|2.799330|2.508409|2.135671|2.003024|2.212043|4.599084|0.149540|0.260048|0.181222|0.113359|0.120823|0.104700|0.090353|0.097590|0.108397|0.153585|0.146987|0.500000| |5.043321|6.261923|0.184357|4.411226|4.195834|4.831212|7.778914|12.399327|0.184995|17.701547|8.812677|10.122656|6.883168|13.173452|4.765755|3.802447|3.127883|3.223175|5.513740|4.279833|5.016652|4.692523|3.779949|5.581586|4.990564|2.887215|2.715509|2.231124|2.012916|1.874288|2.003158|2.213491|2.690674|2.692768|2.273983|2.079131|2.262372|4.773310|0.112525|0.149895|0.125229|0.104470|0.109715|0.115971|0.094496|0.117597|0.118915|0.232312|0.214423|0.302271|0.500000| |4.172915|4.710869|0.116539|3.903252|3.759147|4.799017|6.579063|10.095433|0.226669|8.835530|17.605353|12.510839|7.592791|14.413328|4.905498|3.883049|3.154526|3.234556|5.580966|4.230947|5.822569|4.868888|5.138712|6.986712|7.918859|4.294236|3.976893|3.048829|2.608790|2.411339|2.623568|3.074816|4.030427|2.684224|2.306381|2.074391|2.203622|4.600187|0.094103|0.114755|0.121487|0.089935|0.109680|0.094707|0.089866|0.116298|0.138890|0.146871|0.233239|0.175325|0.199613|0.500000| |4.826861|4.716492|0.114826|3.717347|3.295540|3.777980|4.807233|8.797419|0.200514|8.829291|17.663291|12.481709|5.838547|9.333170|4.283968|3.335846|2.891572|3.139039|5.480210|4.693422|7.330293|7.360727|6.124225|8.436742|8.122360|4.318431|3.609778|2.836165|2.541686|2.429234|2.750817|3.209084|4.285087|2.712311|2.314877|2.135638|2.323177|4.842829|0.105578|0.141508|0.146974|0.088631|0.106294|0.083765|0.079858|0.090642|0.108689|0.115938|0.143106|0.222839|0.175031|0.303977|0.500000| |2.155272|2.379952|0.067162|2.136076|2.235642|2.621348|3.123588|3.891498|0.075645|3.278745|3.637427|6.092943|6.502291|11.545526|8.769409|17.804049|8.561143|5.798649|7.956851|4.171041|3.852217|2.989001|3.551412|5.385734|5.099004|3.203230|3.510884|2.898086|2.577905|2.189301|2.153338|2.245863|2.620514|4.077720|3.505781|2.821330|2.805167|5.996322|0.053834|0.061642|0.058679|0.053799|0.057154|0.062112|0.056423|0.074247|0.070126|0.088027|0.101998|0.080478|0.102083|0.104847|0.086359|0.500000| |1.789123|1.893229|0.053500|1.705317|1.737597|1.946558|2.242079|2.951033|0.058074|2.491564|2.738798|4.602588|4.088507|6.498002|5.839800|8.583361|17.803134|8.743025|7.991841|4.116349|3.379386|2.722986|3.243736|5.319679|4.347756|2.880039|3.049976|2.669271|2.565767|2.173553|2.101643|2.081257|2.347838|6.587479|6.046073|4.225997|3.883041|8.210033|0.045434|0.051993|0.048904|0.043952|0.046002|0.048381|0.044531|0.054295|0.052659|0.063279|0.069248|0.064828|0.074890|0.075263|0.069229|0.195755|0.500000| |2.808492|2.805660|0.079483|2.313602|2.194490|2.389680|2.940776|4.387632|0.084313|4.323730|4.732159|9.273897|5.958991|7.887427|6.564103|4.749403|4.679940|6.275619|12.472132|17.568789|8.841015|7.396159|5.555783|8.849829|5.838703|3.313706|2.933631|2.414257|2.331881|2.145739|2.294498|2.362181|2.855645|5.405085|3.926968|3.614676|4.388469|10.974257|0.068707|0.088111|0.075614|0.059477|0.061950|0.060619|0.054420|0.062516|0.064122|0.082968|0.087131|0.123227|0.126623|0.109130|0.122107|0.107201|0.105249|0.500000| |2.438720|2.400799|0.066261|2.045215|1.944639|2.127471|2.530050|3.745799|0.074880|3.478528|4.101426|7.685442|4.941253|6.686204|5.763003|4.435445|4.720040|6.928203|12.488025|17.730194|8.921895|6.945764|7.391017|13.374072|6.934045|4.002654|3.383603|2.775893|2.772234|2.540174|2.737329|2.730698|3.312996|6.732597|4.787407|4.402607|5.418364|13.963814|0.060283|0.074720|0.067771|0.052650|0.055989|0.052974|0.049055|0.055943|0.058461|0.069408|0.075790|0.097572|0.096885|0.099214|0.112463|0.099422|0.107504|0.301569|0.500000| |3.068755|2.824831|0.076043|2.343521|2.129474|2.277563|2.700571|4.309854|0.087816|4.065993|4.750531|7.619886|4.174054|6.029629|3.985606|3.142371|3.073090|3.771634|6.474195|7.332728|8.869745|17.643782|6.985010|13.124398|6.504020|3.762774|3.012326|2.503123|2.470159|2.396321|2.731662|2.843291|3.510797|3.617840|2.981892|2.909456|3.430976|7.289500|0.074626|0.097632|0.087068|0.060504|0.065018|0.057170|0.053488|0.058117|0.063222|0.072684|0.078147|0.124079|0.104177|0.107451|0.147576|0.076157|0.073672|0.193338|0.216415|0.500000| |3.943284|3.525903|0.090926|2.854495|2.522127|2.720841|3.264879|5.554708|0.117412|5.343991|6.738762|9.071023|4.505541|6.730328|3.858483|3.028293|2.810189|3.244956|5.617476|5.551697|8.675726|17.598759|7.033536|11.180487|7.304246|4.069192|3.212545|2.617123|2.489450|2.435848|2.827187|3.125938|4.036769|2.964108|2.506239|2.387236|2.688016|5.597581|0.091772|0.125366|0.116763|0.072167|0.080662|0.066199|0.062735|0.067610|0.076729|0.084837|0.093915|0.166045|0.124242|0.142693|0.252677|0.075683|0.067597|0.145604|0.143755|0.305128|0.500000| |3.965934|3.645871|0.099721|2.847774|2.543543|2.707572|3.354472|5.613110|0.109339|5.897245|6.242443|9.685437|4.952840|7.198325|4.328253|3.318798|3.090300|3.641788|6.467768|6.930695|8.796001|17.564973|5.527701|8.790928|5.838555|3.296030|2.786310|2.300868|2.197565|2.103564|2.343025|2.507615|3.092086|3.300034|2.700757|2.583168|2.999378|6.458869|0.093046|0.133619|0.107927|0.072905|0.077135|0.068789|0.062366|0.067955|0.073475|0.091701|0.095187|0.198019|0.148949|0.128623|0.183580|0.081570|0.073495|0.218431|0.164705|0.300589|0.299523|0.500000| |2.813214|2.932395|0.076237|2.576483|2.516058|2.993958|3.579618|5.115692|0.110610|4.457208|6.838704|10.947100|7.275158|10.700762|6.034057|4.708296|3.960527|4.187880|7.319946|5.235567|7.283695|4.980467|9.433076|10.881364|26.130971|8.990379|7.567523|4.707145|3.883088|3.381587|3.673398|4.275056|6.302892|3.406281|2.914351|2.536777|2.643862|5.582214|0.067405|0.080162|0.082193|0.063108|0.073048|0.065503|0.063410|0.078159|0.086885|0.089567|0.118077|0.108460|0.115749|0.208602|0.179659|0.119094|0.092238|0.117944|0.128099|0.118842|0.137951|0.116789|0.500000| |2.120347|2.111112|0.055514|1.915025|1.852144|2.088295|2.339210|3.363316|0.072431|2.789772|3.579924|5.483336|3.720959|5.739085|3.797331|3.364189|3.297681|3.647122|5.515402|4.099167|4.715118|3.864133|7.546525|13.926172|12.701532|17.671625|8.899177|6.648530|6.857301|5.948838|6.875920|6.653788|8.907529|3.376670|3.097785|2.767603|2.801740|5.571768|0.052768|0.060852|0.062328|0.048571|0.054811|0.048724|0.048061|0.055328|0.060673|0.060486|0.072100|0.073756|0.073389|0.100327|0.104537|0.084435|0.081620|0.092799|0.119284|0.106885|0.107605|0.089029|0.184187|0.500000| |2.049771|2.134270|0.056716|1.960184|1.965688|2.287386|2.569093|3.482711|0.073931|2.841676|3.608708|5.620586|4.393786|7.070220|4.642356|4.463906|4.121856|4.073132|5.959803|3.827767|4.171087|3.221097|5.370957|8.232027|10.189352|9.001017|17.523775|8.901686|6.427265|4.539423|4.261916|4.468628|5.448153|3.451533|3.181369|2.674699|2.619120|5.299812|0.051023|0.057933|0.059199|0.049223|0.055437|0.051979|0.050955|0.062201|0.066127|0.066504|0.082322|0.071918|0.077568|0.108213|0.096661|0.116407|0.101993|0.088302|0.102692|0.084772|0.087280|0.078896|0.208494|0.217608|0.500000| |2.217218|2.326520|0.060522|2.173806|2.187496|2.598243|2.858657|3.858525|0.084615|3.024348|3.910989|5.518834|4.160507|7.163365|3.906025|3.646015|3.217209|3.170662|4.814544|3.283307|3.839465|3.106650|4.778593|7.173584|9.725923|8.845354|17.470861|8.860646|5.419310|4.349298|4.308600|5.212781|6.641721|2.724270|2.503020|2.185355|2.182780|4.373794|0.054912|0.061386|0.065201|0.053887|0.062596|0.056706|0.057023|0.070220|0.077487|0.071608|0.092622|0.075238|0.080316|0.125358|0.106307|0.099743|0.080405|0.078526|0.086314|0.079624|0.088162|0.076624|0.220656|0.174266|0.303542|0.500000| |1.722602|1.787911|0.047397|1.696572|1.717797|1.971941|2.112581|2.827472|0.060554|2.198040|2.634403|3.815378|2.931919|5.032139|3.012748|3.043131|2.906406|2.808231|3.913036|2.620013|2.803077|2.368330|3.388611|5.645799|5.746593|5.465917|9.011944|17.548842|8.842223|5.563632|4.405493|4.464654|4.456302|2.542241|2.478446|2.163203|2.078325|4.009535|0.043695|0.047955|0.050017|0.043050|0.048460|0.045310|0.045518|0.054359|0.057743|0.054708|0.066047|0.056418|0.059786|0.079558|0.072116|0.083856|0.076889|0.063750|0.071914|0.063496|0.065842|0.059490|0.116605|0.141688|0.228512|0.212480|0.500000| |1.808715|1.852283|0.048393|1.768242|1.766645|2.018325|2.137082|2.920053|0.063859|2.240559|2.713136|3.781703|2.774111|4.765249|2.728835|2.638211|2.495915|2.491629|3.584155|2.514313|2.800864|2.437212|3.469203|5.849038|5.992844|6.243847|8.785822|17.580824|8.804726|7.173845|5.920091|6.719289|5.962246|2.283850|2.196459|1.970770|1.933788|3.720850|0.045836|0.050036|0.053400|0.044796|0.051303|0.046022|0.047040|0.054837|0.060179|0.054520|0.066098|0.057891|0.059525|0.082235|0.076670|0.072031|0.065101|0.061503|0.069323|0.065248|0.069755|0.060564|0.117905|0.152627|0.175158|0.221558|0.306909|0.500000| |1.709191|1.723450|0.045892|1.600638|1.578798|1.767940|1.930610|2.684923|0.057103|2.159232|2.601823|3.918116|2.861492|4.619596|3.056742|2.965784|3.033641|3.173670|4.356698|3.029820|3.159907|2.693724|4.120299|7.605084|6.410055|6.591053|7.139799|8.762085|17.514834|8.793674|6.505792|5.147115|5.014365|3.054548|3.030531|2.687038|2.567023|4.867338|0.043365|0.048584|0.049635|0.041034|0.045579|0.041910|0.041528|0.047858|0.051122|0.050632|0.059142|0.057057|0.058316|0.074338|0.073418|0.076704|0.079446|0.071794|0.088405|0.075440|0.073869|0.065754|0.114723|0.232558|0.194689|0.142048|0.194672|0.175102|0.500000| |1.539119|1.562871|0.041627|1.477731|1.473131|1.646711|1.761142|2.411129|0.051366|1.890793|2.222940|3.247530|2.414722|4.039266|2.538575|2.538282|2.566103|2.580969|3.499749|2.415969|2.514733|2.198510|3.078372|5.533229|4.801088|4.620751|5.572749|8.880928|17.546816|8.995044|5.414575|4.470022|3.997481|2.481346|2.508597|2.250336|2.129668|3.974568|0.039405|0.043274|0.044677|0.038012|0.042191|0.039094|0.039156|0.045033|0.047832|0.046188|0.053713|0.049805|0.051273|0.064568|0.062295|0.067918|0.069067|0.059018|0.069106|0.060972|0.060924|0.054946|0.091199|0.139444|0.147084|0.124716|0.233869|0.196064|0.306105|0.500000| |1.528652|1.516866|0.040175|1.431181|1.400202|1.538590|1.640272|2.304262|0.049433|1.808328|2.115640|3.042106|2.165854|3.582435|2.231661|2.152749|2.186671|2.291140|3.168708|2.306074|2.436197|2.226363|3.029565|5.790409|4.494345|4.340609|4.259577|5.434879|8.936687|17.527508|8.932913|5.435484|4.260012|2.272095|2.281475|2.139067|2.069918|3.798911|0.039303|0.043175|0.044790|0.037073|0.041168|0.037035|0.037292|0.041508|0.044830|0.042960|0.049151|0.048590|0.048274|0.060124|0.061158|0.056745|0.058182|0.056753|0.067625|0.063193|0.062775|0.055031|0.081914|0.138875|0.107206|0.098792|0.126356|0.144126|0.214218|0.224446|0.500000| |1.577970|1.577506|0.041446|1.505958|1.481810|1.641647|1.728608|2.410329|0.052297|1.857771|2.183029|3.059877|2.188421|3.693951|2.198261|2.121497|2.094119|2.149851|3.024676|2.188000|2.372155|2.161580|2.921369|5.332767|4.550092|4.504992|4.726618|6.732946|8.896507|17.498305|8.893918|6.740787|4.736656|2.071531|2.045223|1.896715|1.851902|3.453027|0.040526|0.044036|0.046574|0.038802|0.043676|0.038884|0.039682|0.044363|0.048432|0.044780|0.052013|0.049389|0.049301|0.063444|0.063081|0.056926|0.055499|0.054166|0.062513|0.059945|0.061917|0.053724|0.085145|0.129833|0.111217|0.114089|0.150413|0.211883|0.173735|0.218166|0.304900|0.500000| |1.852585|1.805890|0.047345|1.672156|1.603837|1.764180|1.914457|2.771320|0.060085|2.220186|2.686231|3.864937|2.613605|4.204805|2.629522|2.410180|2.409997|2.627848|3.814082|2.920557|3.247028|3.001493|4.397666|8.985268|6.397228|6.597180|5.015693|5.152588|6.503745|8.786010|17.520157|8.761966|7.125928|2.578316|2.474715|2.332715|2.349292|4.425811|0.047010|0.052827|0.054970|0.043052|0.048370|0.042130|0.042269|0.046736|0.051585|0.049686|0.057348|0.060192|0.058018|0.074852|0.080489|0.062143|0.061990|0.070337|0.086897|0.086151|0.086536|0.071238|0.107524|0.233815|0.120831|0.114293|0.112284|0.136149|0.189439|0.137481|0.213835|0.173637|0.500000| |1.701356|1.656525|0.043262|1.563585|1.503148|1.640918|1.741376|2.505028|0.054668|1.951812|2.301197|3.199512|2.189995|3.625456|2.170260|2.024770|2.007400|2.136137|3.070986|2.331039|2.579592|2.450897|3.248642|6.292200|4.788581|4.619047|3.990488|4.469774|5.416104|8.999916|17.546244|8.880708|5.564968|2.094603|2.035973|1.939165|1.942575|3.610875|0.043657|0.047911|0.050765|0.040471|0.045606|0.039340|0.040079|0.043604|0.048370|0.045079|0.051662|0.052969|0.050933|0.065020|0.068864|0.053314|0.052422|0.057773|0.067996|0.069485|0.071726|0.059797|0.085622|0.139775|0.095293|0.097411|0.100749|0.130830|0.137593|0.125111|0.224561|0.218116|0.306123|0.500000| |2.038115|1.974965|0.050541|1.869755|1.778726|1.959241|2.070009|3.025871|0.067882|2.322403|2.804499|3.718465|2.477891|4.149106|2.344018|2.134535|2.043777|2.163869|3.227959|2.486927|2.917959|2.800024|3.686295|6.729766|5.717861|5.459707|4.437274|4.461813|4.403879|5.563343|8.847886|17.544409|9.003555|2.053836|1.937941|1.826552|1.865122|3.556928|0.051717|0.056673|0.062269|0.047824|0.055542|0.045791|0.047381|0.051313|0.058940|0.052448|0.061478|0.062556|0.059107|0.080615|0.086539|0.056621|0.052486|0.061800|0.070349|0.076619|0.085605|0.067754|0.103187|0.142072|0.100264|0.116384|0.099581|0.139519|0.112246|0.100720|0.126361|0.150347|0.195068|0.233896|0.500000| |1.932994|1.926087|0.049589|1.838396|1.790066|2.009469|2.114841|2.997250|0.066869|2.286088|2.776429|3.731796|2.585659|4.392901|2.468002|2.296445|2.180424|2.252889|3.320524|2.458185|2.837164|2.594200|3.576008|6.245252|5.951882|6.200336|5.890638|6.682758|5.904643|7.176059|8.807988|17.573025|8.776157|2.104045|2.000163|1.846990|1.853867|3.550407|0.048995|0.053399|0.058289|0.046718|0.054248|0.046158|0.047782|0.053424|0.060617|0.053483|0.063989|0.060209|0.059123|0.082457|0.082419|0.061723|0.056299|0.060638|0.068578|0.069938|0.077082|0.063553|0.111209|0.152076|0.123480|0.154890|0.139189|0.245639|0.135709|0.130683|0.144226|0.212487|0.175001|0.196541|0.306944|0.500000| |2.541643|2.530499|0.063768|2.354584|2.252373|2.586691|2.807330|4.113466|0.094791|3.186366|4.194753|5.365109|3.505192|5.884146|3.130360|2.754977|2.515045|2.637648|4.123084|3.142441|3.979976|3.573333|5.188902|8.215174|9.655762|8.864860|6.665670|5.258159|4.325794|4.358663|5.414255|8.833634|17.486103|2.377430|2.169187|1.985537|2.045555|4.048759|0.062507|0.070155|0.078207|0.058481|0.070112|0.057212|0.058911|0.066941|0.079090|0.069047|0.086335|0.082410|0.079446|0.127610|0.130385|0.073247|0.062859|0.076519|0.084742|0.091653|0.110859|0.085085|0.180314|0.174606|0.139649|0.197201|0.117326|0.157308|0.114518|0.097797|0.098892|0.114430|0.141831|0.124428|0.210907|0.221214|0.500000| |2.494307|2.399179|0.061193|2.180865|2.044393|2.279433|2.516815|3.796776|0.085271|3.069942|3.989348|5.392450|3.362764|5.375873|3.110839|2.685881|2.539026|2.779088|4.361061|3.510165|4.487334|4.221062|6.458898|11.588105|10.108656|9.029872|5.459665|4.485886|4.262904|4.536120|6.410802|8.907445|17.542099|2.582779|2.345784|2.186846|2.287160|4.508608|0.061557|0.070878|0.076335|0.055070|0.064154|0.052688|0.053188|0.058775|0.067829|0.063478|0.075725|0.082722|0.076565|0.110907|0.129327|0.069301|0.063199|0.084202|0.098906|0.113400|0.133220|0.095671|0.160585|0.218280|0.125432|0.139635|0.100576|0.124545|0.120658|0.095314|0.107005|0.111260|0.193774|0.146598|0.229022|0.175274|0.303502|0.500000| |1.581174|1.617904|0.045233|1.464323|1.459565|1.598922|1.803363|2.461716|0.049297|2.064546|2.287248|3.749013|2.971653|4.643757|3.799085|4.186408|5.949069|6.450514|6.150245|3.730936|3.027645|2.568182|3.101604|5.563577|3.976454|2.784497|2.814033|2.589672|2.706756|2.329707|2.234496|2.100515|2.295388|8.819851|17.805101|8.457690|5.858581|10.446708|0.040524|0.046269|0.043733|0.038180|0.040010|0.040311|0.037800|0.043947|0.043899|0.050207|0.054373|0.055542|0.059740|0.061728|0.060706|0.099603|0.185577|0.093824|0.110915|0.073603|0.063952|0.067614|0.078637|0.084422|0.091202|0.070641|0.072697|0.062781|0.087344|0.073688|0.064753|0.058150|0.067680|0.056237|0.053065|0.055743|0.059241|0.062882|0.500000| 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