Version2.1 2021-01-08T09:08:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(cc3OC)OC)C[NH+](C)C C39630674 RHF 6-31G(d) (6D,7F) CC(C)(CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(cc3OC)OC)C[NH+](C)C C01[X(C25H42N4O4)] 219 C1 579 COc1ccc(c(c1)OC)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCC(C[NH+](C)C)(C)C COc1ccc(c(c1)OC)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCC(C[NH+](C)C)(C)C COc1ccc(C(=O)N2C[C@H](C(=O)NCC(C)(C)C[NH+](C)C)C3(CC[NH2+]CC3)C2)c(OC)c1 InChIKey=YFUSBEZRCBUOPQ-HXUWFJFHSA-P InChI=1S/C25H40N4O4/c1-24(2,16-28(3)4)15-27-22(30)20-14-29(17-25(20)9-11-26-12-10-25)23(31)19-8-7-18(32-5)13-21(19)33-6/h7-8,13,20,26H,9-12,14-17H2,1-6H3,(H,27,30)/p+2/t20-/m1/s1 InChI=1/C25H40N4O4/c1-24(2,16-28(3)4)15-27-22(30)20-14-29(17-25(20)9-11-26-12-10-25)23(31)19-8-7-18(32-5)13-21(19)33-6/h7-8,13,20,26H,9-12,14-17H2,1-6H3,(H,27,30)/p+2/t20-/m1/s1/fC25H42N4O4/h26-28H/q+2 CC(C)(CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(cc3OC)OC)C[NH+](C)C C01[X(C25H42N4O4)] 219 C01 579 COc1ccc(c(c1)OC)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCC(C[NH+](C)C)(C)C CO[C]1[CH][CH][C]([C]([CH]1)OC)C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCC(C[NH](C)C)(C)C CO[C]1[CH][CH][C]([C]([CH]1)OC)C(=O)N2C[C@H](C(=O)NCC(C)(C)C[NH](C)C)C3(CC[NH2]CC3)C2 InChIKey=SDOWPRBWPZKFMR-HXUWFJFHSA-N InChI=1S/C25H42N4O4/c1-24(2,16-28(3)4)15-27-22(30)20-14-29(17-25(20)9-11-26-12-10-25)23(31)19-8-7-18(32-5)13-21(19)33-6/h7-8,13,20,28H,9-12,14-17,26H2,1-6H3,(H,27,30)/t20-/m1/s1 InChI=1/C25H42N4O4/c1-24(2,16-28(3)4)15-27-22(30)20-14-29(17-25(20)9-11-26-12-10-25)23(31)19-8-7-18(32-5)13-21(19)33-6/h7-8,13,20,28H,9-12,14-17,26H2,1-6H3,(H,27,30)/t20-/m1/s1/f/h27H 3655.4073275832 -1487.9448866 1-A 22008.0281 125 454 579 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15.0731 7.1867 23.1896 31.2210 29.7177 1.1785 12.3275 0.9350 5.2604 5.9122 29.2670 39.4889 14.3717 4.7374 15.7572 19.2641 23.1080 15.3682 43.2864 14.1387 2.4022 4.8091 9.9969 23.9384 10.6009 0.0062 1.8748 2.4747 3.2270 0.4710 2.0854 5.1347 82.8330 55.0486 75.9832 44.3253 0.6183 0.1514 0.3611 2.3916 0.1318 0.3316 0.2115 2.5021 0.4911 0.5772 0.0937 0.3257 0.7477 0.4057 0.7321 0.9477 0.3818 0.3365 0.2550 0.6276 1.6705 0.5767 0.9546 0.4338 0.3243 0.1220 1.0231 0.7908 0.6349 0.2946 0.4914 0.5829 0.0715 1.3745 0.9312 0.6177 1.1051 1.9319 0.5285 1.2273 0.5804 0.1366 0.6171 2.1945 0.5801 0.8271 1.1107 1.1537 0.5799 0.6971 1.6293 1.9942 7.9181 1.6447 2.7532 0.9653 0.3311 4.8429 1.4071 2.3285 0.9469 10.8197 8.9007 1.6639 1.9447 12.3131 5.9424 3.2131 2.5997 1.4659 3.7335 5.6809 3.1053 2.0761 6.8665 2.1283 5.0424 2.7463 5.2204 2.3641 6.3372 9.7964 6.9797 2.1443 3.2893 5.0207 1.6110 7.2159 2.3921 6.6126 4.7572 10.2408 7.6606 3.0087 2.3020 2.8204 2.7640 4.1372 2.2091 2.7969 3.5957 6.7972 2.0304 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0.7749 0.8351 0.4885 0.6749 0.7345 0.7029 0.8570 0.2630 0.8154 0.8436 0.8211 0.8571 0.8566 0.4276 0.6990 0.6511 0.5933 0.8249 0.8415 0.8478 0.8388 0.8256 0.8571 0.8524 0.5884 0.8569 0.6265 0.5347 0.6263 0.3086 0.8420 0.8564 0.7874 0.7073 0.8568 0.8530 0.5123 0.8562 0.3788 0.5758 0.8160 0.7044 0.8516 0.3141 0.7082 0.8381 0.4296 0.8092 0.5401 0.7404 0.8508 0.7801 0.7727 0.5780 0.8536 0.7817 0.6912 0.8557 0.8518 0.8536 0.8307 0.8571 0.8566 0.8348 0.8527 0.8489 0.8566 0.8174 0.8110 0.8206 0.8564 0.8416 0.8273 0.5924 0.8522 0.8278 0.8564 0.4971 0.7782 0.8554 0.8375 0.8268 0.7370 0.8487 0.7666 0.8571 0.7860 0.7094 0.7437 0.6784 0.7877 0.3155 0.4861 0.0754 0.4499 0.3558 0.0441 0.2939 0.0124 0.6216 0.0557 0.4010 0.8208 0.1057 0.5919 0.0749 0.0333 0.2775 0.3097 0.7135 0.8470 0.6761 0.4730 0.4839 0.8109 0.7309 0.7516 0.8025 0.7923 0.4343 0.8035 0.6806 0.6578 0.6070 0.8267 0.8328 0.8172 0.6521 0.4440 0.7394 0.3539 0.2129 0.3330 0.8248 0.2839 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 70 71 72 73 74 75 6 6 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 6 6 8 6 8 6 6 7 1 6 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 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 9914.2219 31026.7834 36666.4545 0.99990 0.01401 -0.00040 -0.01401 0.99986 0.00867 0.00052 -0.00866 0.99996 1 0.00874 0.00279 0.00236 0.18204 0.05817 0.04922 16.46 28.00 37.00 44.73 55.27 61.90 81.32 91.66 95.75 101.94 116.31 128.69 148.19 151.05 188.85 213.09 218.17 238.78 242.01 275.18 284.99 303.89 314.26 325.90 337.01 366.65 370.30 379.40 393.14 413.83 425.04 446.56 457.04 465.98 475.21 485.71 496.76 503.20 532.53 550.17 588.87 601.89 604.99 609.00 640.44 647.86 687.35 695.10 723.79 761.76 766.20 775.93 794.08 840.21 872.63 925.71 941.15 959.53 1041.25 1061.72 1080.91 1138.89 1150.55 1186.07 1192.25 1220.57 1249.34 1253.95 1254.76 1273.04 1288.61 1313.20 1348.58 1353.55 1371.38 1376.67 1410.13 1416.41 1432.12 1450.90 1469.00 1478.59 1485.27 1515.00 1524.62 1548.89 1559.95 1568.74 1573.71 1583.37 1585.97 1633.53 1639.53 1642.48 1645.06 1651.94 1671.29 1679.86 1703.87 1757.78 1775.36 1784.21 1796.75 1813.15 1824.25 1852.65 1855.00 1858.93 1861.16 1879.58 1891.93 1905.98 1914.75 1918.76 1927.43 1945.29 1950.33 1964.89 1971.67 1977.04 1988.42 1991.09 2009.21 2040.75 2081.10 2089.79 2093.13 2099.37 2104.90 2144.48 2160.96 2172.41 2200.00 2213.66 2217.59 2227.58 2235.53 2242.49 2248.02 2252.57 2259.21 2270.38 2278.67 2280.55 2285.61 2291.39 2298.43 2324.03 2330.85 2340.57 2341.26 2342.65 2344.00 2352.52 2358.68 2361.56 2362.15 2362.77 2368.51 2371.47 2375.23 2379.31 2381.59 2383.12 2383.38 2390.65 2391.10 2404.16 2414.45 2423.05 2432.37 2462.63 2533.10 2609.42 2630.49 2776.79 2798.35 4596.18 4597.39 4611.44 4638.96 4645.02 4647.38 4655.05 4663.34 4673.61 4676.90 4683.33 4694.41 4703.81 4717.07 4720.95 4730.44 4736.04 4741.38 4744.62 4756.00 4760.34 4763.24 4765.58 4782.01 4782.30 4784.75 4795.70 4804.67 4823.23 4824.98 4842.25 4842.40 4849.26 4851.59 4877.42 4893.57 4907.59 4921.84 5273.10 5338.62 5362.51 5583.44 0.720960 0.753974 0.754918 0.653521 -1487.223927 -1487.190913 -1487.189968 -1487.291365 3.400872D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CC(C)(CNC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(cc3OC)OC)C[NH+](C)C C39630674 RHF 6-31G(d) (6D,10F) C1 462.320606 |X|Y|Z| 127.011837 66.978305 37.277340 68.193203 17 6 7 15 2 |36.858105| |12.400740|36.858105| |7.538744|12.402364|36.858105| |7.546393|12.233442|7.536799|36.858105| |6.375696|7.509116|6.205195|13.171124|53.358707| |5.569581|5.459342|4.491937|7.737801|19.081211|36.858105| |5.649993|5.152662|3.982551|6.838626|11.573719|15.857143|73.516695| |4.137181|4.004216|3.676311|5.005923|10.675213|12.477932|14.069480|36.858105| |3.707465|3.809457|3.664646|4.832167|10.248663|8.929231|10.585476|17.558478|0.500000| |4.219138|3.807601|3.655401|4.233177|8.151521|7.614523|10.482252|12.273207|0.242592|36.858105| |3.636887|3.178556|2.974177|3.456352|6.038137|5.803430|9.473344|8.025441|0.164250|13.125479|53.358707| |3.380476|3.018800|2.727903|3.418432|5.843793|6.024543|10.803609|7.943529|0.158843|7.904716|17.900348|36.858105| |3.302530|3.140132|2.859553|3.786448|6.846037|7.313381|11.573867|12.244932|0.241975|7.810374|11.129259|12.380282|36.858105| |3.041496|2.971345|2.635937|3.687016|6.191708|6.303256|11.382619|7.288773|0.173087|4.960055|6.959958|7.403143|12.386514|36.858105| |2.492758|2.415259|2.180564|2.859427|4.541892|4.225180|7.832566|4.810849|0.120981|3.839168|5.770424|6.028025|7.477960|12.494215|36.858105| |2.216607|2.170540|2.020436|2.529336|4.045778|3.590015|6.267014|4.349591|0.116517|3.625291|5.378597|5.111854|6.435149|7.656268|12.651803|53.358707| |2.007731|1.959328|1.829722|2.244956|3.508474|3.045537|5.405857|3.561465|0.095483|3.103572|4.663587|4.300527|4.908850|5.662748|9.171578|25.673790|0.500000| |2.159613|2.157707|2.022625|2.543330|4.058023|3.506207|5.992376|4.201107|0.118300|3.414530|4.812479|4.338642|5.728054|6.987390|9.202567|25.675804|0.328654|0.500000| |2.291499|2.215795|2.099782|2.539595|4.171662|3.706402|6.230620|4.886507|0.130539|4.330212|6.642104|6.042353|7.411138|6.471396|7.579706|17.197708|0.254690|0.255215|36.858105| |2.701543|2.625508|2.499165|3.072011|5.350344|4.901540|7.663301|7.604894|0.205580|6.216329|8.743695|7.514742|12.306733|7.624440|6.519828|10.452229|0.157614|0.193948|12.508819|36.858105| |3.366850|2.869999|2.736091|2.961964|4.877540|4.307955|7.341965|5.193682|0.118441|7.867273|18.991310|7.558270|5.198880|3.801434|3.387887|4.391732|0.081063|0.080676|3.911613|4.613823|36.858105| |3.493315|2.950279|2.900768|2.936484|4.772478|3.968504|6.608971|4.587525|0.109562|7.142283|11.665887|5.332991|4.212977|3.213178|2.847790|3.735804|0.069504|0.070387|3.258614|3.855127|15.862984|73.516695| |2.818562|2.425667|2.290472|2.497510|3.944643|3.445490|6.177969|3.961083|0.093394|5.020559|10.541810|6.395357|4.344627|3.447184|3.298189|4.282923|0.081719|0.077058|3.751406|3.993268|12.716704|14.336256|36.858105| |2.766112|2.334193|2.189101|2.341339|3.571086|3.043109|5.616572|3.278606|0.078449|3.987405|7.317129|4.778934|3.475422|2.935667|2.827191|3.604228|0.069910|0.065788|3.000987|3.143319|7.690471|11.439484|13.737187|36.858105| |2.351636|2.024213|1.900194|2.034223|3.042377|2.556090|4.762080|2.720337|0.066579|3.137021|5.454193|3.845950|2.942814|2.598474|2.596937|3.336206|0.066265|0.060852|2.718840|2.729402|5.051098|7.883381|7.859969|13.766125|36.858105| |2.094639|1.847510|1.743060|1.887967|2.837263|2.387684|4.412991|2.594766|0.064334|2.916457|5.065051|3.719609|2.903672|2.593322|2.688740|3.533795|0.071556|0.063744|2.897925|2.788123|4.435545|6.769514|6.807452|7.961213|13.702219|36.858105| |2.112468|1.888049|1.790164|1.962791|3.008118|2.561874|4.656426|2.891406|0.071754|3.253142|5.839719|4.337519|3.350215|2.918871|3.077211|4.162541|0.084338|0.073764|3.557527|3.330319|5.001942|7.258110|7.896178|6.918283|7.915932|13.656942|36.858105| |2.397643|2.131399|2.024612|2.232674|3.511406|3.047420|5.438574|3.579706|0.087052|4.217763|8.278263|5.799147|4.189184|3.412170|3.469425|4.698827|0.091834|0.082767|4.241490|4.156177|7.461549|9.709037|13.646841|7.994224|6.868147|7.930468|13.852810|36.858105| |2.309969|2.106573|2.022100|2.250633|3.606400|3.131095|5.418950|3.883343|0.096636|4.472280|8.487510|6.052904|4.739942|3.730984|3.849619|5.577861|0.107922|0.097092|5.558642|5.241569|6.544027|8.805045|7.960287|5.233592|4.598226|5.224160|8.051019|13.909357|73.516695| |2.096486|1.936672|1.901316|2.045021|3.251060|2.718255|4.612076|3.340592|0.086871|3.894314|6.594457|4.385129|3.802101|3.068002|3.127106|4.680733|0.091812|0.085056|4.588340|4.416331|5.283629|8.043135|5.849609|4.305542|3.899517|4.391056|6.159678|8.120719|23.854998|36.858105| |1.846509|1.648606|1.558892|1.682518|2.493620|2.069474|3.833213|2.219622|0.055922|2.430628|4.044481|3.025675|2.473840|2.278463|2.403877|3.183366|0.065660|0.057923|2.547069|2.405521|3.386442|5.358813|4.614952|5.224937|7.889993|14.292646|8.254364|5.323776|7.246923|3.627145|73.516695| |1.767390|1.572788|1.486465|1.585422|2.314166|1.895610|3.531663|1.989433|0.050353|2.169342|3.509462|2.602018|2.167424|2.022911|2.106533|2.760302|0.056757|0.050936|2.168791|2.082737|2.927060|4.787530|3.772998|4.508815|6.698358|8.004320|5.258550|3.986667|5.668523|2.912950|24.041190|36.858105| |7.421756|12.274307|7.467032|7.826128|6.852655|4.071827|7.299221|3.133757|0.083820|2.943223|3.514228|2.527590|2.619067|2.583786|2.163402|2.641511|0.049296|0.053831|1.941990|2.231878|2.372216|4.289496|2.080718|2.035764|1.808082|1.660689|1.681278|1.859562|3.255125|1.689817|2.673819|1.449655|36.858105| |5.611057|7.254171|6.390657|4.972755|5.094502|3.150633|5.600464|2.582900|0.069773|2.512687|3.046461|2.161025|2.205052|2.155730|1.853864|2.301427|0.043402|0.046867|1.703422|1.930736|2.113561|3.884542|1.876325|1.859735|1.667932|1.529521|1.535818|1.681859|2.930629|1.541519|2.481264|1.357692|12.586287|53.358707| |5.197461|6.967594|7.518122|4.799645|5.079438|3.073397|5.302446|2.571145|0.070496|2.524372|3.017262|2.111983|2.170688|2.096575|1.802645|2.264039|0.042646|0.046275|1.688921|1.925018|2.097124|3.894476|1.847158|1.818766|1.626997|1.496141|1.509286|1.658639|2.907972|1.542534|2.425081|1.323558|9.274822|25.730546|0.500000| |4.002170|4.894185|4.445276|3.973099|4.199613|2.670235|4.799033|2.234322|0.060926|2.142376|2.641996|1.906356|1.958168|1.954702|1.708058|2.126103|0.040380|0.043522|1.555045|1.735855|1.833897|3.334784|1.657408|1.645431|1.498057|1.387153|1.391703|1.507713|2.636140|1.390724|2.273249|1.248305|7.712975|17.303274|0.260446|36.858105| |5.618936|5.794430|5.192221|4.049897|4.465996|2.896583|5.249035|2.421504|0.064297|2.431704|3.012094|2.116717|2.098928|2.030111|1.768816|2.195962|0.041657|0.044281|1.636648|1.839308|2.140338|3.973599|1.916794|1.936856|1.739619|1.575821|1.562027|1.700814|2.920720|1.536575|2.557399|1.412280|7.502518|17.330574|0.260013|7.765735|36.858105| |17.609547|8.680445|6.833455|5.455918|6.495064|4.282608|7.712665|3.445160|0.087270|3.646528|4.401708|2.965304|2.845121|2.619338|2.209951|2.711883|0.050676|0.053856|2.069426|2.398438|3.124747|5.915610|2.661892|2.674010|2.291606|2.023632|2.014311|2.260096|3.832132|1.981005|3.189385|1.736604|6.556647|7.998020|0.152123|4.082321|6.773939|0.500000| |17.577322|8.737381|5.474628|6.888933|7.867911|5.589521|11.364194|4.041750|0.098286|3.986603|4.922198|3.514757|3.372952|3.202661|2.630946|3.111242|0.057667|0.061425|2.325072|2.698621|3.327557|5.931689|2.864233|2.845593|2.439300|2.167699|2.170247|2.442012|4.139437|2.080649|3.403247|1.837075|6.825786|6.875137|0.123765|3.846197|5.148594|0.301077|0.500000| |17.623503|8.826031|6.887430|6.924462|9.787406|6.572545|11.093093|4.978731|0.120138|5.418935|6.076468|3.945392|3.791904|3.321643|2.683605|3.267500|0.059903|0.064527|2.536355|3.061382|4.089323|7.664405|3.261007|3.136333|2.591676|2.294511|2.337204|2.712412|4.649937|2.362654|3.541163|1.885855|5.448760|5.952489|0.118257|3.310303|4.367013|0.305583|0.303017|0.500000| |6.853026|8.807178|17.594980|6.927906|9.471919|4.956326|7.385945|4.222614|0.118418|4.341104|4.579250|2.988810|3.153385|2.807405|2.301064|2.932833|0.053838|0.059841|2.280904|2.773530|3.069398|5.874275|2.498853|2.348131|2.011670|1.846523|1.914609|2.196157|3.932256|2.088875|2.911985|1.549580|5.462528|6.415416|0.147174|3.550851|4.144411|0.168957|0.140241|0.205135|0.500000| |5.460343|8.690518|17.510216|6.812280|7.509351|4.002065|6.302224|3.355555|0.095979|3.232278|3.617520|2.481734|2.658355|2.498873|2.082455|2.648650|0.049058|0.054723|2.004485|2.368729|2.433241|4.534062|2.068104|1.968872|1.731015|1.606540|1.656659|1.860565|3.337391|1.777385|2.574733|1.380861|6.886007|8.367583|0.213321|4.614121|4.631615|0.139480|0.121992|0.140161|0.302288|0.500000| |6.876477|8.679043|17.530833|5.449115|6.404931|3.725162|6.078728|3.165744|0.086709|3.266692|3.727862|2.490437|2.544463|2.342567|1.979960|2.510558|0.046829|0.051021|1.924101|2.253725|2.598745|4.984243|2.200191|2.137425|1.863405|1.697835|1.726304|1.936982|3.403839|1.813934|2.708690|1.464527|6.554038|9.222617|0.237113|4.545660|6.024334|0.204212|0.139991|0.171284|0.306154|0.299832|0.500000| |6.838764|8.766768|5.501280|17.623348|12.674023|7.543769|14.199643|4.741140|0.122499|3.921399|4.593585|3.490858|3.826296|3.928766|3.039553|3.550417|0.064487|0.072448|2.557255|3.028562|2.886945|4.974539|2.492138|2.355954|2.064825|1.918923|1.985461|2.238787|3.981091|2.007891|3.050408|1.619720|7.342896|6.318652|0.118176|3.888604|3.890036|0.139716|0.204359|0.168485|0.140697|0.140805|0.122255|0.500000| |5.503251|8.783929|7.008168|17.557217|12.613274|5.931463|9.258605|4.333428|0.123530|3.646638|4.091966|2.988869|3.384917|3.368225|2.665747|3.270086|0.059493|0.068256|2.391205|2.862111|2.601742|4.599573|2.225890|2.084144|1.835358|1.722579|1.796526|2.026266|3.671606|1.901166|2.754544|1.461886|7.195214|6.600906|0.134400|4.080707|3.760212|0.122387|0.140480|0.141846|0.174554|0.208184|0.141284|0.302344|0.500000| |5.218525|6.261940|6.160683|9.052936|26.071128|9.380391|10.888441|7.544258|0.237143|5.961147|5.761819|3.965588|4.766224|4.189579|3.148720|3.966919|0.070169|0.082382|3.060762|3.992818|3.450918|6.111395|2.773135|2.484512|2.124381|1.998306|2.136161|2.499496|4.645775|2.404014|3.131131|1.630370|4.400322|4.709658|0.099018|2.889868|3.024490|0.116320|0.127762|0.164806|0.208624|0.160126|0.129300|0.182528|0.228070|0.500000| |3.619809|3.389568|3.428860|3.699801|6.861010|5.692612|8.016098|8.677482|0.225063|17.593344|12.388994|6.002917|6.294631|4.239060|3.445977|4.677069|0.082496|0.091426|4.239001|6.090660|6.835373|12.089711|4.562152|3.620315|2.910041|2.753368|3.106683|4.004296|7.879482|4.123196|4.120278|2.065769|2.669084|3.174336|0.066047|2.005646|2.251469|0.089717|0.093332|0.124816|0.114932|0.085972|0.086110|0.093651|0.092202|0.150703|0.500000| |5.256468|4.490148|4.326313|4.711533|8.901391|7.555452|10.635816|8.638861|0.187959|17.613254|12.347143|6.104003|5.736127|4.168507|3.292223|4.160293|0.074323|0.080753|3.494200|4.619337|7.151851|13.313284|4.646291|3.946387|3.079884|2.779335|2.990568|3.754829|6.712094|3.365737|4.141247|2.119746|3.317176|3.848158|0.079097|2.349352|2.765360|0.125009|0.131855|0.205757|0.146708|0.101743|0.107750|0.117923|0.109042|0.175294|0.304594|0.500000| |2.864616|2.582754|2.366766|2.872234|4.716983|4.522038|8.226180|5.672010|0.126602|5.793131|12.419081|17.706182|8.658444|6.341291|6.232064|7.553143|0.134440|0.124041|6.833747|7.051566|6.847650|8.556774|6.992323|5.026113|4.209927|4.302374|5.348427|7.341538|14.059900|5.087299|6.137862|2.868597|2.219701|2.629773|0.052488|1.727108|1.904935|0.071512|0.082837|0.090602|0.071328|0.060504|0.060859|0.081760|0.071323|0.090751|0.136763|0.130544|0.500000| |3.714635|3.223600|2.808705|3.637909|5.999630|6.343438|13.128952|6.829985|0.138117|6.506103|12.305521|17.570537|8.806197|7.042557|5.678060|6.051097|0.107008|0.106935|4.742707|5.498970|6.432390|8.590959|5.780949|4.798453|3.897445|3.647758|4.014142|5.003734|8.517094|3.628532|5.328436|2.633569|2.719786|3.128293|0.061522|2.022816|2.266230|0.089476|0.111749|0.118725|0.083743|0.070370|0.071339|0.106791|0.086467|0.108126|0.136389|0.158582|0.301862|0.500000| |3.341864|3.222178|2.754932|4.037758|6.523791|6.859752|14.539661|6.548971|0.149683|4.656140|6.550730|6.860751|8.772300|17.650263|8.997446|7.614735|0.127022|0.143364|4.857253|5.517534|3.685298|5.589048|3.370379|2.965353|2.627011|2.573006|2.815876|3.237775|6.001324|2.781749|4.028229|2.038759|2.827294|3.157497|0.061800|2.100577|2.187382|0.078874|0.101039|0.099690|0.080041|0.071945|0.067937|0.125557|0.099955|0.116323|0.107458|0.114836|0.159181|0.214375|0.500000| |2.930735|2.982136|2.675054|3.813049|6.391224|6.035367|10.161154|6.760550|0.183167|4.471853|5.818128|5.443347|8.797936|17.494964|8.897488|9.396552|0.144062|0.204959|5.695027|6.850057|3.284241|5.119792|2.948858|2.550353|2.276991|2.271761|2.534587|2.920815|5.718659|2.760769|3.598138|1.816150|2.613421|2.956894|0.059031|1.985784|2.010012|0.070069|0.084419|0.087652|0.078926|0.071839|0.065311|0.111647|0.100173|0.123544|0.110630|0.106444|0.132594|0.143563|0.303860|0.500000| |2.465846|2.331259|2.099067|2.689097|4.217628|3.929334|7.517957|4.410070|0.107428|3.768133|6.036997|6.604522|6.710303|8.745147|17.629445|12.434451|0.225105|0.181199|6.921161|5.741989|3.633459|5.304602|3.702624|3.172943|2.946196|3.091119|3.565459|3.973829|7.636103|3.344630|4.879809|2.371721|2.092208|2.459939|0.048642|1.661113|1.748937|0.061262|0.072935|0.073947|0.061420|0.055155|0.053527|0.079589|0.068777|0.080538|0.093032|0.090643|0.210137|0.177835|0.213208|0.173070|0.500000| |2.328603|2.287042|2.056126|2.710537|4.162046|3.731865|7.041117|3.992730|0.103463|3.225817|4.706645|4.589516|5.454830|8.772644|17.627504|12.367536|0.222614|0.224939|5.572818|4.898378|2.866281|4.393957|2.814583|2.488952|2.327563|2.406274|2.690390|2.940453|5.667354|2.675065|3.905595|1.954900|2.093961|2.447176|0.048366|1.678160|1.707827|0.057602|0.068706|0.068280|0.059462|0.055078|0.051957|0.081152|0.071230|0.080004|0.081397|0.079288|0.129963|0.126563|0.213222|0.215465|0.301527|0.500000| |2.261552|2.142507|2.021520|2.407607|3.899906|3.481643|6.024102|4.449099|0.113710|4.222513|7.043845|6.565405|6.608570|5.654733|6.861603|12.368614|0.224751|0.180723|17.658658|8.754364|4.303956|6.167243|4.382940|3.420293|3.124626|3.422722|4.395048|5.304080|13.057316|5.456541|5.271534|2.460625|1.882873|2.261873|0.045604|1.514568|1.615821|0.057185|0.064176|0.069689|0.060793|0.053142|0.051974|0.067724|0.062301|0.078387|0.113021|0.095889|0.240149|0.141352|0.126663|0.131409|0.205356|0.141894|0.500000| |2.072110|2.024559|1.950164|2.295775|3.719631|3.174947|5.286166|4.079580|0.114245|3.736632|5.517292|4.599977|5.429157|4.889276|5.577290|12.372294|0.221823|0.225893|17.625245|8.787692|3.418306|5.237369|3.299462|2.687063|2.471621|2.658077|3.250705|3.769237|8.853502|4.518995|4.227694|2.034049|1.788104|2.158781|0.043926|1.456224|1.522744|0.052517|0.057875|0.063300|0.058843|0.052165|0.049908|0.063603|0.060923|0.077194|0.106093|0.085673|0.141314|0.104574|0.107538|0.128822|0.142469|0.126563|0.301661|0.500000| |2.614366|2.622887|2.530407|3.124334|5.454606|4.739793|7.179606|7.052340|0.227073|5.402729|6.819271|5.495737|8.782454|6.840856|5.701211|9.373764|0.143760|0.203554|8.907272|17.507925|3.802909|5.952563|3.291185|2.692260|2.369206|2.406623|2.805081|3.375573|7.292878|3.689549|3.761931|1.861421|2.239395|2.634243|0.053938|1.749832|1.818449|0.064393|0.071804|0.081261|0.078065|0.067784|0.062803|0.084506|0.082942|0.117088|0.153693|0.116804|0.140869|0.123127|0.139794|0.201556|0.132372|0.128190|0.173342|0.217286|0.500000| |2.679834|2.572504|2.502320|2.920906|5.078767|4.490886|6.943208|6.954286|0.188981|6.963962|9.906514|7.043027|8.737386|5.519741|4.892028|7.636386|0.127350|0.143126|9.040032|17.610318|5.336920|7.950224|4.438399|3.375674|2.880844|2.936197|3.561791|4.620927|10.927355|5.397415|4.443785|2.151410|2.167266|2.584939|0.052965|1.696306|1.825373|0.066928|0.073195|0.085641|0.078293|0.065406|0.063320|0.078514|0.075374|0.107277|0.210753|0.138858|0.187028|0.140971|0.123009|0.139761|0.128738|0.107843|0.215649|0.213123|0.303314|0.500000| |3.071839|2.519926|2.357307|2.467906|3.720803|3.124444|5.789666|3.256734|0.077818|4.015887|6.949917|4.395415|3.296525|2.801506|2.629121|3.317133|0.063893|0.061445|2.720139|2.922400|7.211852|12.162727|8.967449|17.732840|8.962913|5.663364|4.976975|5.676029|7.509826|3.631569|7.476609|3.903880|2.185511|2.730786|0.054396|1.756581|2.119996|0.083786|0.087545|0.097295|0.070061|0.058160|0.064598|0.068702|0.060463|0.071399|0.100134|0.116283|0.120659|0.126925|0.079896|0.068397|0.080417|0.065005|0.083670|0.067942|0.070831|0.086695|0.500000| |2.270215|1.947144|1.825880|1.931164|2.837334|2.347442|4.404310|2.438824|0.060209|2.773423|4.616665|3.271112|2.588518|2.334701|2.324860|2.970886|0.059226|0.054806|2.373572|2.390913|4.138190|6.798938|5.629910|8.958859|17.777915|8.852851|5.623281|4.954541|6.495191|3.217749|12.469962|7.393757|1.760187|2.231741|0.044288|1.477672|1.728381|0.062301|0.065675|0.068494|0.053187|0.046216|0.050180|0.054599|0.048501|0.054905|0.071629|0.077196|0.096765|0.094136|0.066336|0.057501|0.072484|0.058841|0.074304|0.060445|0.058663|0.069430|0.217398|0.500000| |1.915938|1.739702|1.656785|1.820177|2.778374|2.345905|4.242105|2.654610|0.067099|2.904795|5.015263|3.817877|3.108290|2.772896|3.012666|4.198151|0.087258|0.074294|3.570739|3.198614|4.068466|6.086357|5.624150|4.978009|5.645807|8.925260|17.745744|8.934030|13.015102|6.097543|13.511687|4.868149|1.562024|1.947031|0.039112|1.306365|1.446781|0.050728|0.054589|0.058351|0.049081|0.042969|0.044315|0.051177|0.046742|0.055175|0.078291|0.073702|0.131079|0.097487|0.073416|0.067635|0.096597|0.073868|0.123694|0.092901|0.075651|0.094135|0.107977|0.123866|0.500000| |1.906811|1.762176|1.728546|1.845954|2.880146|2.381728|4.102179|2.829924|0.073973|3.220436|5.327234|3.667792|3.197347|2.696095|2.805839|4.173666|0.084169|0.076204|3.880958|3.610896|4.334644|6.808696|5.091689|4.058372|3.918188|4.655009|6.587059|7.209710|16.379554|17.609941|7.079687|3.136158|1.557419|1.949152|0.039734|1.300385|1.434582|0.050491|0.052821|0.058949|0.052229|0.045045|0.046139|0.050620|0.047882|0.058904|0.093210|0.079692|0.118369|0.087878|0.068928|0.067837|0.084126|0.068055|0.127886|0.107923|0.086233|0.116076|0.094463|0.090486|0.198620|0.500000| |2.021829|1.900904|1.876707|2.031784|3.248315|2.697971|4.513477|3.375443|0.090311|3.793587|6.078472|4.160903|3.874938|3.142221|3.227298|5.067862|0.099224|0.093156|5.190898|4.861469|4.498261|7.002506|4.616811|3.538551|3.228504|3.580906|4.755338|5.880711|16.782225|17.627430|5.472242|2.534054|1.661275|2.058305|0.042169|1.370011|1.493106|0.052784|0.055539|0.063001|0.057379|0.049182|0.049415|0.055229|0.052989|0.067533|0.114451|0.089617|0.131613|0.094784|0.077400|0.079922|0.093383|0.076632|0.164891|0.151473|0.114455|0.168799|0.085767|0.076137|0.136043|0.299816|0.500000| |2.195938|2.015722|2.002890|2.100350|3.348573|2.761958|4.630003|3.385608|0.088210|4.163387|6.887673|4.212039|3.647796|2.897693|2.848893|4.160001|0.080403|0.077145|3.966773|4.108862|5.928407|9.588417|6.116263|4.510302|3.919961|4.162563|5.385979|7.230793|16.392691|17.592200|6.051709|2.815693|1.743145|2.175235|0.044635|1.431587|1.599885|0.058026|0.059813|0.069436|0.061683|0.051697|0.053376|0.056661|0.054076|0.069237|0.126309|0.101524|0.127836|0.097944|0.073920|0.073141|0.083499|0.068278|0.124317|0.107712|0.097442|0.142724|0.108198|0.090628|0.138959|0.299313|0.299138|0.500000| |1.767850|1.567891|1.493053|1.565242|2.282117|1.852784|3.425258|1.943319|0.049350|2.149666|3.443979|2.485675|2.080463|1.920468|1.969307|2.593292|0.052913|0.048216|2.055502|2.004528|2.931658|4.916078|3.731051|4.577049|6.703145|7.059906|4.791870|3.811596|5.432866|2.866313|16.422242|17.587223|1.441926|1.850234|0.036923|1.246068|1.421681|0.048655|0.050656|0.052508|0.043311|0.038441|0.041110|0.044128|0.040094|0.044823|0.057263|0.058902|0.074889|0.069541|0.053696|0.048203|0.060805|0.050693|0.064146|0.053832|0.050005|0.058105|0.112856|0.220738|0.120773|0.085685|0.068919|0.078857|0.500000| |1.846058|1.631340|1.526637|1.641150|2.378539|1.954731|3.691265|2.020758|0.050814|2.185837|3.531507|2.654165|2.198233|2.073842|2.151489|2.766485|0.056689|0.051042|2.143279|2.071675|2.914062|4.747730|3.709752|4.555665|6.691251|6.998871|4.733317|3.772973|5.372761|2.701344|16.415661|17.580895|1.510450|1.921842|0.038025|1.298714|1.474735|0.050399|0.053845|0.054402|0.043961|0.039297|0.041788|0.046908|0.041863|0.046177|0.057086|0.059765|0.080494|0.076342|0.058841|0.051518|0.067620|0.055737|0.067186|0.055297|0.051477|0.058824|0.112435|0.222896|0.119022|0.078756|0.065995|0.072781|0.298359|0.500000| |1.612163|1.450200|1.374603|1.466009|2.130752|1.734522|3.222738|1.819064|0.046467|1.958266|3.118965|2.331535|1.984885|1.875509|1.972987|2.607368|0.054135|0.048333|2.029968|1.928290|2.547637|4.193283|3.177017|3.619352|4.895550|5.896126|4.432725|3.422774|5.086023|2.661440|16.978451|17.672064|1.346038|1.721202|0.034272|1.170420|1.311074|0.044004|0.046488|0.047485|0.039693|0.035685|0.037613|0.041627|0.037798|0.041845|0.052154|0.052994|0.071355|0.065274|0.052332|0.047135|0.061367|0.051345|0.063606|0.053413|0.048266|0.055057|0.088910|0.144968|0.121761|0.080485|0.065422|0.070829|0.299914|0.299956|0.500000| |5.512070|8.812178|6.514938|7.743946|6.680313|3.901883|6.870217|3.040659|0.083301|2.775930|3.304460|2.407305|2.557414|2.569905|2.152424|2.639776|0.049232|0.054385|1.921669|2.203672|2.207245|3.957989|1.946257|1.886348|1.687803|1.568414|1.599078|1.764511|3.123645|1.627335|2.537759|1.371519|17.621709|12.562490|0.220153|7.675466|5.611853|0.134883|0.144924|0.124143|0.138014|0.192743|0.152538|0.202155|0.237397|0.122411|0.070771|0.084703|0.059049|0.071186|0.077586|0.073745|0.057114|0.058425|0.051260|0.049387|0.062326|0.058932|0.055542|0.045483|0.041578|0.041682|0.044810|0.046384|0.037778|0.039568|0.035551|0.500000| |7.104396|8.700808|5.477645|6.729641|6.245733|3.985908|7.586651|3.041638|0.079697|2.843799|3.492158|2.561486|2.613427|2.624972|2.213219|2.662082|0.049878|0.053896|1.937704|2.199802|2.363679|4.218520|2.104665|2.080630|1.858576|1.702035|1.711111|1.879871|3.261225|1.677529|2.746369|1.494830|17.615248|12.411822|0.181987|6.931705|7.087186|0.174422|0.213784|0.143451|0.122604|0.138756|0.139700|0.206003|0.163891|0.108627|0.070706|0.088178|0.062705|0.078147|0.081454|0.072842|0.059927|0.059878|0.052550|0.049273|0.060682|0.058925|0.062125|0.050500|0.044091|0.043116|0.045602|0.047786|0.041142|0.043574|0.038528|0.302662|0.500000| |3.478629|4.053020|3.916616|3.318899|3.666408|2.361987|4.222025|2.022556|0.055315|1.967689|2.441553|1.750127|1.785967|1.771601|1.565065|1.964732|0.037491|0.040185|1.443449|1.601986|1.714298|3.138110|1.557713|1.554153|1.421969|1.316895|1.316778|1.419973|2.478792|1.316596|2.166588|1.194856|5.599078|12.279161|0.223839|17.655014|7.232464|0.101687|0.092070|0.081971|0.089088|0.112865|0.116075|0.089411|0.094343|0.071205|0.051665|0.059845|0.044377|0.051272|0.052451|0.049859|0.042441|0.042681|0.039170|0.037749|0.044813|0.043762|0.046133|0.039125|0.034388|0.034332|0.035996|0.037736|0.033248|0.034469|0.031181|0.151669|0.142535|0.500000| |3.684227|4.717594|4.397077|4.084133|4.284199|2.683442|4.758486|2.251562|0.062249|2.124463|2.600079|1.885631|1.969059|1.980175|1.725611|2.155944|0.040872|0.044461|1.569795|1.755439|1.787152|3.234643|1.611941|1.585105|1.444333|1.347478|1.361368|1.477335|2.605639|1.377332|2.210211|1.208070|7.132631|12.259658|0.224649|17.659327|5.626973|0.100729|0.097986|0.086864|0.098261|0.134788|0.119418|0.109914|0.123063|0.082936|0.055560|0.064021|0.047455|0.055188|0.058799|0.056599|0.046210|0.047288|0.042165|0.040952|0.049635|0.047430|0.046629|0.039373|0.035647|0.035716|0.037918|0.039279|0.033420|0.034803|0.031541|0.237491|0.169961|0.299618|0.500000| |3.880094|4.500927|3.857071|3.796301|4.031266|2.632140|4.850107|2.189501|0.059093|2.087493|2.612152|1.908576|1.947619|1.968078|1.728888|2.133001|0.040629|0.043523|1.548167|1.714718|1.813421|3.268084|1.654987|1.652639|1.512571|1.399975|1.398576|1.507444|2.623081|1.375566|2.300474|1.267014|7.034885|12.301263|0.181504|17.646581|7.026787|0.108938|0.108753|0.088762|0.088351|0.107900|0.107762|0.108253|0.105862|0.075798|0.053843|0.063212|0.048175|0.056834|0.059375|0.055245|0.046888|0.047449|0.042036|0.040131|0.047763|0.046296|0.048974|0.041583|0.036466|0.035823|0.037554|0.039151|0.035021|0.036793|0.033016|0.189997|0.207874|0.299238|0.298997|0.500000| |6.670098|6.258073|5.887171|4.164690|4.746529|3.075548|5.502529|2.586843|0.068248|2.664355|3.274574|2.255468|2.213056|2.098493|1.820056|2.267227|0.042893|0.045530|1.709492|1.936469|2.349376|4.432208|2.077111|2.102474|1.866337|1.675920|1.660030|1.820402|3.113399|1.640291|2.700107|1.488700|6.711279|12.247512|0.227290|5.636493|17.724636|0.257522|0.157098|0.143558|0.132080|0.135803|0.205897|0.108033|0.104454|0.089598|0.068468|0.086036|0.056079|0.066850|0.062476|0.057306|0.050171|0.048341|0.047028|0.044119|0.052891|0.053883|0.064651|0.051438|0.042457|0.042393|0.044081|0.047811|0.041825|0.043093|0.038200|0.139098|0.170384|0.148288|0.126191|0.142137|0.500000| |4.306917|4.469176|4.316639|3.351877|3.815069|2.499500|4.499248|2.143546|0.057445|2.162224|2.698929|1.895919|1.881078|1.822684|1.608275|2.014380|0.038420|0.040701|1.501657|1.673497|1.934828|3.603172|1.749911|1.774066|1.608940|1.463719|1.447570|1.565004|2.690858|1.427018|2.391899|1.327068|5.530307|12.321306|0.220403|7.384841|17.655170|0.140889|0.111017|0.098898|0.098856|0.111915|0.140880|0.089466|0.089014|0.073252|0.056368|0.067490|0.047903|0.055906|0.054088|0.050279|0.044205|0.043285|0.041214|0.039074|0.046086|0.046282|0.053725|0.044603|0.037407|0.037201|0.038569|0.041283|0.037209|0.038403|0.034363|0.127561|0.145419|0.230292|0.148409|0.180724|0.300863|0.500000| 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