Version2.0 2020-07-19T05:31:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 15-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)OC[C@H](C[NH+](Cc1c(nn(c1Oc2ccccc2)C)c3ccccc3)C[C@@H]4CCCO4)O C36308311 RHF 6-31G(d) (6D,7F) CC(C)(C)OC[C@H](C[NH+](Cc1c(nn(c1Oc2ccccc2)C)c3ccccc3)C[C@@H]4CCCO4)O C01[X(C29H40N3O4)] 222 C1 620 O[C@@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)C[C@@H]1CCCO1)COC(C)(C)C O[C@@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)C[C@@H]1CCCO1)COC(C)(C)C Cn1nc(c2ccccc2)c(C[NH+](C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c1Oc4ccccc4 InChIKey=WMNYBFHKXSIINF-ZCYQVOJMSA-O InChI=1S/C29H39N3O4/c1-29(2,3)35-21-23(33)18-32(19-25-16-11-17-34-25)20-26-27(22-12-7-5-8-13-22)30-31(4)28(26)36-24-14-9-6-10-15-24/h5-10,12-15,23,25,33H,11,16-21H2,1-4H3/p+1/t23-,25-/m0/s1 InChI=1/C29H39N3O4/c1-29(2,3)35-21-23(33)18-32(19-25-16-11-17-34-25)20-26-27(22-12-7-5-8-13-22)30-31(4)28(26)36-24-14-9-6-10-15-24/h5-10,12-15,23,25,33H,11,16-21H2,1-4H3/p+1/t23-,25-/m0/s1/fC29H40N3O4/h32H/q+1 CC(C)(C)OC[C@H](C[NH+](Cc1c(nn(c1Oc2ccccc2)C)c3ccccc3)C[C@@H]4CCCO4)O C01[X(C29H40N3O4)] 222 C01 620 O[C@@H](C[NH+](Cc1c(nn(c1Oc1ccccc1)C)c1ccccc1)C[C@@H]1CCCO1)COC(C)(C)C O[C@@H](C[NH](C[C]1[C]([N][N]([C]1O[C]1[CH][CH][CH][CH][CH]1)C)[C]1[CH][CH][CH][CH][CH]1)C[C@@H]1CCCO1)COC(C)(C)C CN1[N][C]([C]2[CH][CH][CH][CH][CH]2)[C](C[NH](C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)[C]1O[C]4[CH][CH][CH][CH][CH]4 InChIKey=KYRKDBVDIFXBJY-ZCYQVOJMSA-N InChI=1S/C29H40N3O4/c1-29(2,3)35-21-23(33)18-32(19-25-16-11-17-34-25)20-26-27(22-12-7-5-8-13-22)30-31(4)28(26)36-24-14-9-6-10-15-24/h5-10,12-15,23,25,32-33H,11,16-21H2,1-4H3/t23-,25-/m0/s1 InChI=1/C29H40N3O4/c1-29(2,3)35-21-23(33)18-32(19-25-16-11-17-34-25)20-26-27(22-12-7-5-8-13-22)30-31(4)28(26)36-24-14-9-6-10-15-24/h5-10,12-15,23,25,32-33H,11,16-21H2,1-4H3/t23-,25-/m0/s1 4046.3431152209 -1584.0405681 1-A 21455.1809 133 487 620 |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| -20.72313 -20.68414 -20.67477 -20.65549 -15.80649 -15.74423 -15.67614 -11.44245 -11.41095 -11.41063 -11.41012 -11.40498 -11.40321 -11.40117 -11.37979 -11.37967 -11.37230 -11.36252 -11.35634 -11.34038 -11.33151 -11.32995 -11.32713 -11.32689 -11.32593 -11.32550 -11.32227 -11.31878 -11.31450 -11.31189 -11.31158 -11.30981 -11.30773 -11.29171 -11.29147 -11.28584 -1.56467 -1.51382 -1.50155 -1.48604 -1.46939 -1.44087 -1.25776 -1.24924 -1.22269 -1.19717 -1.19337 -1.17781 -1.16312 -1.14655 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0.79119 0.79326 0.80351 0.80423 0.80822 0.81195 0.81977 0.82410 0.82822 0.83122 0.83685 0.84248 0.84588 0.85592 0.85950 0.86890 0.87733 0.88762 0.89514 0.89896 0.90124 0.90705 0.91168 0.91875 0.92631 0.92923 0.93808 0.95215 0.95576 0.96595 0.96752 0.97919 0.98383 0.99014 1.00076 1.00305 1.00979 1.01227 1.02079 1.02325 1.02446 1.02574 1.02657 1.03035 1.03746 1.03913 1.04096 1.04280 1.04501 1.04607 1.05008 1.05124 1.05882 1.06447 1.06555 1.07265 1.07605 1.08538 1.08749 1.09263 1.09287 1.09738 1.09799 1.10627 1.10782 1.10998 1.11243 1.11382 1.12022 1.12209 1.12472 1.12957 1.13141 1.13209 1.13721 1.13887 1.14158 1.14464 1.14990 1.15844 1.16258 1.16994 1.17692 1.18011 1.18262 1.19046 1.19215 1.20487 1.21476 1.22766 1.23065 1.24272 1.24874 1.25898 1.27531 1.27918 1.28566 1.28816 1.30054 1.30564 1.31913 1.32371 1.33884 1.34930 1.35344 1.35654 1.36361 1.37499 1.38056 1.38534 1.41824 1.42346 1.42665 1.43461 1.45307 1.46921 1.47584 1.48427 1.49057 1.49301 1.50496 1.52454 1.54185 1.54707 1.55824 1.56083 1.56912 1.58357 1.58862 1.59535 1.60135 1.61512 1.61685 1.62484 1.63166 1.63375 1.64555 1.65012 1.65965 1.66709 1.67167 1.68251 1.68899 1.69512 1.69911 1.70169 1.70821 1.71390 1.71927 1.72286 1.72542 1.74344 1.75926 1.77769 1.79293 1.81542 1.84469 1.86324 1.87443 1.88739 1.90747 1.91642 1.91819 1.93575 1.94346 1.95726 1.96344 1.97433 1.98404 1.99012 2.00574 2.00985 2.01587 2.01983 2.02753 2.03539 2.04200 2.04444 2.04838 2.05945 2.06835 2.07479 2.08054 2.09120 2.10099 2.10270 2.10746 2.11069 2.11611 2.13394 2.13646 2.15396 2.15577 2.16035 2.16611 2.16884 2.18287 2.18799 2.19439 2.19826 2.20239 2.20622 2.21709 2.22417 2.23023 2.23959 2.24775 2.26167 2.26705 2.27133 2.27227 2.29539 2.30607 2.31620 2.32079 2.32521 2.33064 2.33531 2.34604 2.35140 2.36165 2.36627 2.36748 2.37803 2.37899 2.38248 2.38924 2.39723 2.40328 2.40594 2.41400 2.41863 2.42452 2.43065 2.44712 2.45709 2.46343 2.47027 2.48027 2.48988 2.49322 2.50743 2.50995 2.51166 2.52103 2.52885 2.53335 2.53446 2.54098 2.54909 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0.6883 0.8267 0.7356 0.7837 0.8527 0.7982 0.8483 0.4630 0.7702 0.8098 0.2011 0.2025 0.1824 0.3965 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 76 6 6 6 6 8 6 6 1 6 7 1 6 6 6 7 7 6 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 6 6 6 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 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 14381.6880 29883.5105 31490.6721 0.99991 0.01051 -0.00873 -0.01070 0.99970 -0.02208 0.00850 0.02217 0.99972 1 0.00602 0.00290 0.00275 0.12549 0.06039 0.05731 12.27 15.44 17.11 26.14 35.39 43.49 48.27 54.45 63.39 69.11 87.72 100.15 108.71 115.76 128.91 146.11 161.35 167.34 178.74 216.24 238.32 308.15 322.72 327.16 346.84 361.58 368.71 376.92 390.91 412.38 423.30 433.88 439.09 452.57 481.17 526.47 535.27 548.35 603.01 612.29 641.72 657.41 662.66 671.29 690.05 702.90 710.81 730.56 742.83 777.90 797.53 797.72 822.55 887.73 906.15 931.91 962.25 965.81 976.63 1043.31 1056.80 1081.19 1102.55 1122.96 1131.03 1164.32 1168.07 1225.45 1243.87 1263.62 1276.14 1304.58 1338.83 1351.04 1358.20 1373.57 1387.02 1388.82 1399.00 1403.10 1431.28 1440.38 1449.97 1473.69 1475.12 1481.05 1512.83 1513.72 1520.42 1535.76 1567.96 1569.00 1583.36 1587.77 1594.01 1615.91 1620.52 1622.94 1628.58 1633.81 1638.54 1642.48 1649.41 1653.43 1661.76 1686.95 1699.55 1702.49 1719.63 1755.51 1756.10 1779.46 1793.35 1810.19 1815.67 1827.95 1840.26 1856.11 1861.96 1873.49 1900.94 1911.68 1922.21 1922.36 1934.77 1941.89 1961.89 1983.41 1990.92 1997.56 2012.15 2018.20 2021.19 2043.43 2082.04 2085.73 2099.19 2113.27 2115.10 2120.00 2123.74 2153.02 2160.31 2192.41 2217.46 2227.79 2241.42 2242.73 2246.29 2251.35 2262.51 2278.81 2292.75 2296.82 2317.97 2319.78 2334.12 2337.47 2339.04 2345.87 2346.70 2349.23 2352.97 2356.46 2363.45 2366.61 2369.38 2371.76 2374.16 2377.90 2386.48 2393.94 2397.66 2410.15 2420.21 2430.38 2470.11 2525.80 2563.98 2585.68 2598.05 2613.56 4608.23 4618.62 4625.31 4633.85 4637.87 4651.09 4654.18 4659.04 4674.74 4676.57 4681.22 4711.90 4715.94 4719.96 4721.01 4724.75 4727.78 4727.94 4733.44 4736.84 4744.10 4751.35 4778.47 4799.10 4814.98 4824.08 4825.64 4835.81 4837.88 4847.10 4853.65 4860.89 4864.53 4876.15 4878.38 4887.40 4889.81 4897.91 5305.00 5865.88 0.709477 0.743425 0.744369 0.635619 -1583.331091 -1583.297143 -1583.296199 -1583.404950 3.647526D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CC(C)(C)OC[C@H](C[NH+](Cc1c(nn(c1Oc2ccccc2)C)c3ccccc3)C[C@@H]4CCCO4)O C36308311 RHF 6-31G(d) (6D,10F) C1 494.301882 |X|Y|Z| 67.368196 61.363253 114.678836 77.973828 26 6 7 8 21 3 2 |36.858105| |12.457848|36.858105| |7.546023|12.460323|36.858105| |7.596011|12.489453|7.597835|36.858105| |7.818832|13.287599|7.827597|8.193847|73.516695| |6.325309|7.765160|6.352419|5.199493|24.354015|36.858105| |4.415672|5.164791|4.384323|4.174508|14.674549|12.518354|36.858105| |3.907402|4.841650|4.309363|4.141702|13.258508|8.939425|17.529759|0.500000| |3.555484|3.845153|3.511003|3.176033|9.189315|7.536443|12.528158|0.246821|36.858105| |2.882469|3.091710|2.821487|2.719875|7.071473|4.946112|7.652895|0.190680|12.628255|53.358707| |2.897462|3.178682|2.850262|2.870998|7.412834|4.891286|7.982387|0.218356|9.311931|25.674649|0.500000| |2.707135|2.768003|2.487221|2.466868|6.071258|4.085658|5.522329|0.131900|7.643733|17.012017|0.258369|36.858105| |2.277520|2.333619|2.117319|2.150062|4.967514|3.162037|4.058840|0.104391|4.946940|10.190373|0.193690|12.810091|36.858105| |2.146113|2.204668|1.980806|2.088885|4.642713|2.828145|3.557083|0.094046|3.929511|7.339093|0.159044|7.187931|13.361357|36.858105| |1.874364|1.916776|1.748536|1.829699|3.944149|2.382315|2.885032|0.077454|3.182499|5.636294|0.118465|5.161435|8.491651|14.644833|53.358707| |1.808800|1.842522|1.705080|1.735428|3.770286|2.321400|2.782189|0.074335|3.200026|5.672596|0.112503|5.258668|8.696105|8.985838|19.343778|53.358707| |1.990693|2.027224|1.877832|1.874103|4.202561|2.660419|3.248728|0.085208|3.956741|7.379383|0.136922|7.495075|13.870187|8.688754|11.790788|19.540520|36.858105| |1.914804|1.942062|1.831137|1.775721|3.979104|2.556393|3.037845|0.079628|3.817235|6.692851|0.118136|6.200280|7.809474|5.426865|7.461104|11.058041|14.240262|73.516695| |1.821214|1.814111|1.715675|1.656262|3.647120|2.332165|2.668104|0.069124|3.279939|5.282445|0.094424|4.884832|5.554617|4.298070|6.046228|8.326797|8.040539|24.397835|36.858105| |1.679909|1.675524|1.610179|1.529283|3.324621|2.120750|2.371761|0.062194|2.885977|4.459359|0.080311|3.794270|4.075955|3.328905|4.704515|6.107201|5.336695|14.444175|13.774691|36.858105| |1.582144|1.559834|1.503142|1.426396|3.048966|1.928566|2.104999|0.055021|2.501080|3.720188|0.068013|3.138879|3.286285|2.802038|3.960021|4.880089|4.022167|9.357712|7.991915|13.775315|36.858105| |1.596641|1.554509|1.484460|1.424600|3.022353|1.899424|2.056225|0.053220|2.406077|3.538851|0.065288|3.068460|3.203969|2.788563|3.933625|4.721368|3.806235|8.172683|6.907379|7.920615|13.726740|36.858105| |1.717005|1.664195|1.566863|1.526393|3.260904|2.048500|2.242902|0.057441|2.623924|3.916937|0.072338|3.571109|3.796532|3.292941|4.629355|5.560045|4.510479|9.208758|7.997046|6.875319|7.957891|13.776373|36.858105| 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|2.213718|2.246597|1.940293|2.268841|4.569648|2.535775|2.953102|0.078931|2.804977|4.320403|0.098314|3.553824|3.889802|5.062908|5.940505|4.619461|3.232985|4.714627|2.414609|2.058194|1.876784|1.933095|2.220275|2.546243|2.842657|7.912941|13.766575|36.858105| |2.363904|2.461249|2.104536|2.542340|5.065310|2.732339|3.210561|0.087952|2.918177|4.435640|0.104513|3.430759|3.603551|4.463577|5.137370|4.130456|2.966420|4.406986|2.228160|1.927934|1.751367|1.779658|2.008953|2.294248|2.554989|6.843140|7.933281|13.739513|36.858105| |2.495466|2.677177|2.296283|2.735319|5.711490|3.105059|3.842301|0.108315|3.433051|5.387330|0.134601|3.963999|4.119642|5.046255|5.520418|4.456579|3.276208|4.827857|2.372517|2.049450|1.832552|1.834022|2.056679|2.383561|2.692540|7.905414|6.876155|7.945595|13.758707|36.858105| |2.446852|2.610202|2.275648|2.565905|5.662153|3.245936|4.224822|0.117560|4.019737|6.927130|0.180261|5.230532|5.774250|7.611971|7.399813|5.733599|4.270083|5.991402|2.838646|2.395330|2.096378|2.081448|2.355763|2.812955|3.270939|13.709485|7.946690|6.885821|7.941290|13.750407|36.858105| |2.438852|2.632617|2.507406|2.351345|5.758774|3.897649|5.280833|0.147784|7.602295|17.353685|0.262184|7.536012|6.295963|4.666623|5.341500|5.706429|5.448356|9.587218|4.041671|3.553580|2.873434|2.625290|2.810477|3.439628|3.357832|3.957684|3.106231|2.701767|2.763275|3.307155|4.152300|36.858105| |2.398744|2.684551|2.616239|2.430980|5.873236|3.847756|5.102767|0.161973|6.165435|10.444765|0.209715|4.957267|4.427678|3.739336|4.417436|4.537445|3.938359|6.861428|3.088900|2.836092|2.378470|2.184118|2.297745|2.703594|2.805247|3.424398|2.749094|2.485512|2.628362|3.195424|3.825912|12.485810|36.858105| |2.586290|2.944207|2.941505|2.609957|6.468511|4.353121|5.586070|0.182583|6.638247|9.167240|0.178167|4.431614|3.780250|3.219714|3.819766|3.912823|3.374603|5.999831|2.814448|2.627204|2.248242|2.075676|2.168020|2.502944|2.461838|3.025851|2.500052|2.302012|2.446793|2.929377|3.375841|8.819732|17.571082|0.500000| |2.018802|2.231996|2.213405|2.063016|4.680664|2.957400|3.616534|0.111810|4.166938|6.743510|0.135929|3.804902|3.702855|3.251193|4.074256|4.278581|3.564185|6.407439|2.911770|2.769794|2.321070|2.092894|2.156302|2.501693|2.768669|2.939267|2.419962|2.196925|2.299925|2.729113|3.198170|7.469043|12.365774|0.243094|36.858105| |1.899438|2.103356|2.053014|1.997184|4.392624|2.673481|3.278426|0.102426|3.552933|5.903865|0.128477|3.509482|3.629228|3.404165|4.333936|4.393771|3.469646|5.914798|2.690462|2.519133|2.131504|1.950008|2.030076|2.356679|2.857077|3.144649|2.566702|2.342432|2.481677|2.990644|3.507029|5.698575|7.922562|0.163248|12.423243|36.858105| |2.123121|2.407122|2.318473|2.311292|5.144621|3.066859|3.880743|0.128400|3.933356|6.434181|0.152380|3.658496|3.650952|3.517150|4.283874|4.144151|3.273800|5.389301|2.490698|2.288799|1.967210|1.837798|1.940797|2.248798|2.628759|3.452844|2.783665|2.594621|2.850470|3.581785|4.137301|5.522930|8.176037|0.176863|8.035913|12.520998|36.858105| |2.459216|2.802630|2.660111|2.614612|6.246057|3.878780|5.350943|0.183296|5.562011|9.622056|0.243089|4.760337|4.420830|4.025319|4.642698|4.509220|3.747044|6.127229|2.789748|2.515321|2.143565|2.009670|2.145267|2.520267|2.756397|3.916613|3.068594|2.815904|3.082202|3.941475|4.745536|8.071354|13.517590|0.259749|8.041682|8.190856|13.397937|73.516695| |4.290888|4.719467|3.753741|4.114713|12.533270|7.917916|13.634271|0.259036|8.194901|9.565394|0.225158|6.022330|4.501869|4.136126|4.392470|4.074519|3.435187|5.458697|2.705301|2.348320|2.092562|2.080629|2.319026|2.688809|2.438989|4.594328|3.873065|3.701261|4.076754|4.936816|5.373458|4.645720|4.274007|0.119615|3.193491|3.051673|3.616620|8.479616|73.516695| |17.561945|8.718604|6.917908|5.492816|12.102582|6.676819|4.488377|0.107286|3.794675|4.068889|0.081356|2.819791|2.335034|2.158899|2.570827|2.512003|2.053607|3.555979|1.915844|1.773886|1.675096|1.690054|1.811926|1.941648|1.626640|2.249994|2.134800|2.129504|2.236652|2.367799|2.375757|2.534089|2.456149|0.074125|2.062423|1.910196|2.105662|4.369330|7.456373|0.500000| |17.560856|8.807406|5.494683|6.881803|12.813250|5.866498|4.455067|0.107340|3.574029|4.035220|0.083540|2.856896|2.407275|2.293099|2.705440|2.583658|2.081058|3.513712|1.881336|1.716544|1.616305|1.644288|1.787811|1.929586|1.662367|2.478143|2.396125|2.457864|2.620804|2.726863|2.644029|2.458826|2.380050|0.069981|1.998605|1.901231|2.129850|4.393117|8.345540|0.300533|0.500000| |17.572826|8.837939|6.785198|6.990562|10.064924|4.717867|3.545837|0.090110|2.964898|3.371590|0.069220|2.348572|2.019399|1.920616|2.314072|2.236388|1.790393|3.074666|1.657323|1.541205|1.462965|1.479128|1.581226|1.683595|1.463605|2.039730|1.970225|2.016356|2.146243|2.235371|2.173457|2.145921|2.125285|0.063386|1.824417|1.726416|1.915384|3.868440|6.168734|0.303093|0.301264|0.500000| |6.794259|8.836418|17.573222|6.979204|10.068342|4.731501|3.528823|0.096528|2.938356|3.316071|0.068334|2.194019|1.899918|1.793676|2.177771|2.123912|1.703101|2.958798|1.573087|1.484537|1.397173|1.384774|1.456563|1.557883|1.398853|1.878677|1.769710|1.793618|1.937045|2.081256|2.044515|2.194822|2.280495|0.070247|1.972256|1.845444|2.062645|4.122144|5.605312|0.169458|0.139074|0.199479|0.500000| |5.494704|8.810536|17.562362|6.895133|12.819080|5.892142|4.394487|0.127743|3.493493|3.881341|0.081020|2.456863|2.111070|1.981510|2.385172|2.323683|1.875024|3.246917|1.695055|1.594653|1.479791|1.450813|1.526316|1.654860|1.518106|2.074132|1.910347|1.923056|2.106563|2.330980|2.308903|2.579591|2.776860|0.087805|2.353837|2.187220|2.501998|5.067106|6.542044|0.141348|0.123199|0.139053|0.301228|0.500000| |6.912689|8.723993|17.557696|5.494125|12.135930|6.725063|4.463193|0.118314|3.746046|3.980825|0.080092|2.575022|2.164242|1.991527|2.396601|2.363413|1.931187|3.389028|1.794614|1.692940|1.582489|1.558700|1.637947|1.763082|1.543515|2.048960|1.896691|1.882756|2.013403|2.196433|2.219167|2.614658|2.696004|0.085309|2.274949|2.069543|2.299364|4.733671|6.561583|0.208347|0.141394|0.168862|0.303072|0.300375|0.500000| |6.964481|8.826934|5.514789|17.567324|13.193311|4.882053|4.164103|0.112614|3.160611|3.765642|0.082079|2.559260|2.243777|2.211078|2.620132|2.456268|1.937670|3.225169|1.691836|1.548790|1.444279|1.451213|1.567675|1.706455|1.586823|2.469172|2.372036|2.525308|2.862407|3.037166|2.781241|2.353156|2.396548|0.070139|2.030865|1.990006|2.309113|4.645821|7.857359|0.140941|0.207435|0.174167|0.141707|0.141152|0.122819|0.500000| |5.515643|8.831450|6.954384|17.574985|13.238786|4.898689|4.153861|0.121248|3.142992|3.719053|0.081233|2.426580|2.135736|2.083689|2.489916|2.358189|1.864828|3.137552|1.632023|1.510742|1.401878|1.390598|1.484435|1.617472|1.532573|2.282462|2.141550|2.240293|2.546087|2.792380|2.608217|2.398324|2.544820|0.076206|2.165480|2.112010|2.483446|4.944347|7.108645|0.122816|0.141142|0.141759|0.173323|0.207523|0.140918|0.301012|0.500000| |6.874401|8.813236|6.886941|17.575036|10.288985|4.187061|3.414055|0.093829|2.731869|3.225184|0.068692|2.181920|1.925245|1.875115|2.264013|2.157246|1.701501|2.885362|1.527867|1.420893|1.335548|1.336953|1.425572|1.532610|1.414402|2.036452|1.955846|2.049430|2.268317|2.395960|2.250357|2.085960|2.150624|0.063970|1.859990|1.801528|2.053673|4.061194|5.978624|0.140850|0.168061|0.208022|0.208061|0.168805|0.140914|0.300986|0.300731|0.500000| |7.000867|6.902322|5.578755|4.663334|16.463597|17.542781|8.881887|0.174623|6.961101|6.328449|0.122934|4.149523|3.164355|2.804098|3.224561|3.162434|2.676532|4.603200|2.409543|2.183833|2.005562|1.998174|2.167983|2.402495|1.987639|2.878912|2.609499|2.518773|2.649623|2.928915|3.075730|3.636394|3.415473|0.104497|2.691024|2.434106|2.716374|5.993733|12.644177|0.231365|0.185740|0.140557|0.122626|0.134834|0.171864|0.125518|0.116324|0.108881|0.500000| |5.460665|6.817081|6.943312|4.650142|16.429669|17.532532|8.848563|0.216039|6.799075|6.152025|0.121121|3.660624|2.893845|2.569334|3.003472|2.971973|2.502698|4.370245|2.249083|2.083001|1.897120|1.848486|1.963336|2.174125|1.890105|2.608158|2.321769|2.245665|2.405240|2.724779|2.865162|3.830956|3.918347|0.129373|3.047043|2.684607|3.036070|6.737491|10.145389|0.166534|0.132661|0.120502|0.139532|0.186430|0.227887|0.115788|0.126102|0.108448|0.299978|0.500000| |3.675779|3.739932|3.378777|3.048335|8.526098|6.963395|8.859414|0.174020|17.642329|12.342667|0.190097|7.889510|4.889269|3.827059|4.254591|4.327692|3.969680|6.923861|3.479806|3.034562|2.664294|2.604608|2.873054|3.361473|2.608028|3.602582|3.073960|2.765778|2.803687|3.181687|3.681321|6.019396|4.725183|0.137816|3.498322|3.033243|3.255814|7.633095|12.880874|0.112568|0.104002|0.084838|0.079727|0.090276|0.101864|0.084980|0.081542|0.073888|0.211821|0.170587|0.500000| |3.310226|3.631965|3.519527|2.987030|8.304657|6.717583|8.819371|0.215300|17.658831|12.243706|0.194297|5.828313|4.198034|3.381972|3.880370|3.987676|3.587573|6.435917|3.134040|2.855076|2.475890|2.338651|2.488199|2.877193|2.458647|3.177420|2.672290|2.442084|2.542096|2.960291|3.402559|7.720186|6.844811|0.232846|4.593002|3.675881|3.958581|9.764221|10.335541|0.099341|0.089497|0.078097|0.081784|0.099046|0.107009|0.080496|0.083197|0.072407|0.167816|0.197444|0.302195|0.500000| |3.018830|3.036042|2.640887|2.702233|6.734453|4.473965|6.017240|0.136137|7.323457|12.497503|0.228911|17.662183|8.930441|6.645683|6.408596|6.108126|5.703895|8.453179|4.077159|3.251736|2.805718|2.824135|3.318955|4.156366|3.369912|6.118373|4.867393|3.999595|3.846635|4.372761|5.597488|5.605926|4.203284|0.108643|3.268269|3.086890|3.329381|7.572395|13.391903|0.086724|0.090806|0.071834|0.064603|0.071467|0.075273|0.079286|0.072740|0.065866|0.129710|0.106183|0.224497|0.147624|0.500000| |2.636248|2.645132|2.421179|2.322719|5.657590|3.888834|4.878435|0.115722|7.141266|12.405478|0.182374|17.624634|8.977853|5.515570|6.031734|6.599122|7.100908|12.304764|5.761968|4.421513|3.620905|3.522250|4.102932|5.421075|3.696591|4.424322|3.650101|3.034793|2.904312|3.246027|4.039291|6.859773|4.511601|0.116132|3.591596|3.197042|3.221435|7.226010|8.809449|0.077958|0.076401|0.063884|0.059626|0.065854|0.070893|0.066171|0.062996|0.057740|0.113383|0.099515|0.232964|0.163226|0.300382|0.500000| |1.642106|1.655547|1.605561|1.512208|3.289301|2.099506|2.355099|0.062625|2.873156|4.457051|0.080353|3.607493|3.850793|3.160276|4.455491|5.724368|4.963594|13.379990|8.952112|17.736779|8.865740|5.624940|4.954960|5.642453|4.270537|2.550075|2.277693|1.964145|1.865153|2.004180|2.341556|3.735481|3.017248|0.077235|3.039007|2.719570|2.408080|4.657978|4.077043|0.048087|0.046280|0.041888|0.041068|0.044490|0.046925|0.042309|0.041766|0.039016|0.059319|0.057918|0.082037|0.080686|0.084986|0.114416|0.500000| |1.487384|1.469338|1.428765|1.345928|2.850235|1.795320|1.938387|0.051063|2.279884|3.339572|0.061503|2.728805|2.822156|2.448580|3.455543|4.161701|3.362756|7.574253|5.674751|8.952663|17.728100|8.905044|5.653906|4.945726|3.204364|2.071940|1.934001|1.701510|1.601354|1.675599|1.896701|2.612124|2.216877|0.058707|2.198838|2.012972|1.847203|3.540287|3.392846|0.043753|0.041954|0.038413|0.037040|0.039151|0.041843|0.037683|0.036821|0.035159|0.051657|0.049506|0.066880|0.063587|0.068354|0.086143|0.214075|0.500000| |1.509125|1.461598|1.400689|1.343381|2.812177|1.754235|1.872084|0.048573|2.155590|3.113847|0.058023|2.647960|2.731034|2.433044|3.425017|3.989795|3.143216|6.490665|4.971321|5.639756|8.901117|17.736393|8.919620|5.632721|3.027944|2.094172|2.020384|1.777951|1.640472|1.677815|1.877401|2.299389|1.954275|0.052057|1.880930|1.759656|1.666733|3.217127|3.364822|0.044377|0.043103|0.039098|0.036515|0.037940|0.040847|0.037972|0.036356|0.035222|0.051374|0.047562|0.064747|0.058455|0.068982|0.083135|0.123729|0.214467|0.500000| |1.703648|1.634863|1.530485|1.505903|3.178762|1.977509|2.141067|0.054648|2.452469|3.603318|0.067481|3.276764|3.446818|3.098274|4.332576|4.965537|3.896712|7.436351|5.679480|4.953978|5.652275|8.922824|17.727041|8.943162|3.580838|2.637533|2.599851|2.230186|1.997665|2.012788|2.272755|2.529909|2.104127|0.055521|1.964368|1.867245|1.809072|3.545422|3.986026|0.049832|0.049589|0.043756|0.039708|0.041208|0.044297|0.043164|0.040475|0.039208|0.058534|0.052318|0.074967|0.064089|0.087603|0.102188|0.107572|0.124178|0.214866|0.500000| |1.947817|1.902893|1.753269|1.749491|3.822700|2.406448|2.744657|0.069497|3.237625|5.133013|0.094972|5.264869|6.138904|5.123249|7.029625|8.565342|7.357450|12.542813|8.888532|5.623446|4.946373|5.634212|8.896078|17.736479|5.271348|3.915093|3.676645|2.941808|2.591896|2.668548|3.182184|3.494617|2.743053|0.070241|2.489444|2.382677|2.319548|4.657282|5.242955|0.056530|0.057197|0.049105|0.044781|0.047548|0.050448|0.050521|0.047306|0.044764|0.070426|0.062517|0.098389|0.081584|0.134590|0.162728|0.124121|0.107426|0.124008|0.215708|0.500000| |1.549442|1.556792|1.453770|1.477174|3.101155|1.883466|2.159243|0.057731|2.422845|3.953043|0.078210|3.488050|4.609849|4.821207|9.058005|12.408132|6.180384|9.669593|5.401847|4.367450|3.786418|3.804124|4.433838|5.466844|17.614678|3.668523|3.468238|2.791072|2.460312|2.527609|2.998577|2.940025|2.477694|0.061570|2.419256|2.471471|2.316887|4.338862|4.086735|0.043971|0.045071|0.039678|0.037469|0.040235|0.041157|0.042592|0.040775|0.038024|0.052957|0.049721|0.068259|0.063084|0.088214|0.095508|0.109815|0.090061|0.090624|0.111993|0.158138|0.500000| |1.556787|1.582965|1.496970|1.490757|3.172250|1.951051|2.257208|0.061060|2.596628|4.322217|0.084026|3.662006|4.802568|4.561773|7.918689|12.505229|7.131958|12.837138|6.396693|5.443075|4.262545|3.861449|4.169691|5.250009|17.654750|3.408707|3.037093|2.499750|2.295243|2.442093|2.936331|3.439107|2.862461|0.069856|2.890276|2.918176|2.610830|4.854139|4.146499|0.044394|0.044761|0.039763|0.038398|0.041743|0.042619|0.042538|0.041448|0.038281|0.054284|0.052226|0.071910|0.069083|0.088200|0.101834|0.147311|0.102387|0.090140|0.099456|0.138055|0.299693|0.500000| |1.523146|1.556944|1.459255|1.489991|3.121315|1.881008|2.187210|0.059824|2.425730|4.048726|0.082282|3.382194|4.554825|5.041491|10.104595|12.595154|5.840912|8.773523|4.304490|3.671748|3.104944|2.972998|3.285490|3.983349|17.660698|3.864097|3.492560|2.841763|2.573036|2.710596|3.258185|3.115301|2.699351|0.065584|2.712732|2.894633|2.656790|4.816682|4.114061|0.042891|0.044098|0.038997|0.037525|0.040829|0.041060|0.042874|0.041599|0.038224|0.051907|0.049865|0.066271|0.063621|0.084487|0.089113|0.099574|0.076816|0.072337|0.083370|0.114602|0.299745|0.299615|0.500000| |2.033735|2.029641|1.791023|1.980847|4.115726|2.389487|2.792023|0.073152|2.848044|4.548358|0.098426|4.110047|4.986217|7.107126|8.928042|6.454845|4.266548|5.917417|3.066032|2.513192|2.278096|2.387009|2.845701|3.361051|3.838216|8.921539|17.734100|8.918216|5.643908|4.954992|5.653056|2.889305|2.523479|0.064017|2.257481|2.366624|2.498783|4.860478|5.987615|0.055874|0.061906|0.051427|0.045953|0.049058|0.049324|0.059726|0.054008|0.050134|0.067314|0.059648|0.080138|0.069093|0.124465|0.098913|0.065052|0.056194|0.060084|0.079817|0.113719|0.108175|0.089338|0.103391|0.500000| |2.084752|2.086488|1.809407|2.120657|4.150946|2.290482|2.591105|0.069065|2.470105|3.715173|0.082623|3.055179|3.306603|4.124272|5.107058|4.105387|2.853162|4.255486|2.229188|1.919726|1.775889|1.846831|2.117774|2.381107|2.610530|5.637870|8.934437|17.725060|8.910622|5.648943|4.959271|2.363171|2.184229|0.056778|1.957212|2.072620|2.265037|4.321286|5.639219|0.055668|0.064427|0.053364|0.046930|0.049555|0.048766|0.065633|0.057775|0.053906|0.063836|0.056753|0.068526|0.060511|0.094821|0.074681|0.050687|0.044892|0.047617|0.059869|0.076054|0.072636|0.064004|0.072564|0.215365|0.500000| |2.321696|2.418169|2.064213|2.563908|4.867440|2.562315|2.916037|0.080538|2.610536|3.846820|0.089321|2.918264|3.003313|3.565589|4.251965|3.530808|2.541876|3.869894|1.982691|1.740907|1.597334|1.624932|1.817278|2.041663|2.241489|4.936909|5.644631|8.909873|17.722854|8.915312|5.646696|2.437141|2.362268|0.061980|2.090516|2.250371|2.584893|4.889321|6.422884|0.060274|0.071604|0.059262|0.053298|0.057401|0.054315|0.081073|0.071422|0.064087|0.068929|0.063002|0.069859|0.064103|0.090196|0.070309|0.046918|0.040865|0.041949|0.050439|0.063297|0.060373|0.056550|0.062923|0.124129|0.214797|0.500000| |2.554331|2.818104|2.419625|2.948849|6.030194|3.180892|3.900659|0.114672|3.352520|5.095438|0.128271|3.544062|3.563794|4.109259|4.649975|3.907806|2.906689|4.406081|2.170947|1.907091|1.710483|1.699877|1.880694|2.155886|2.412645|5.633997|4.953859|5.646954|8.912747|17.718365|8.923013|3.192744|3.228175|0.083332|2.759355|3.051139|3.798096|7.289833|8.597782|0.066489|0.076705|0.063727|0.060813|0.069215|0.063413|0.090870|0.085609|0.071154|0.081308|0.078005|0.084617|0.081667|0.106674|0.082206|0.052300|0.043808|0.043405|0.050989|0.065895|0.062718|0.061837|0.067743|0.107563|0.124127|0.214767|0.500000| |2.456479|2.676367|2.371240|2.599353|5.905903|3.450546|4.686090|0.136357|4.521879|8.270438|0.236403|5.581629|6.000296|7.010545|6.988141|5.751304|4.439404|6.327330|2.913034|2.480344|2.141103|2.088991|2.331774|2.796697|3.278476|8.892587|5.643312|4.958438|5.654784|8.944078|17.702467|5.050523|4.783823|0.112983|3.870703|4.335015|5.377575|11.434398|9.950860|0.066674|0.072380|0.060383|0.058627|0.067749|0.064508|0.076730|0.074489|0.062996|0.088566|0.085804|0.109599|0.107159|0.154745|0.118189|0.068450|0.054028|0.052138|0.061602|0.085949|0.081565|0.083648|0.090723|0.124123|0.107629|0.124340|0.216230|0.500000| |2.200290|2.347908|2.222666|2.141514|5.036572|3.282740|4.296071|0.120234|5.603272|12.468000|0.220524|7.329523|7.563791|5.498201|6.439138|7.116284|6.949227|11.714910|4.522961|3.876097|3.047259|2.761275|2.975295|3.734282|4.052827|4.336636|3.328370|2.822171|2.838034|3.384781|4.388392|17.684556|8.895160|0.174140|7.100669|6.105925|5.481285|12.608266|7.252511|0.062990|0.062255|0.054357|0.054817|0.063331|0.063738|0.060154|0.060634|0.053192|0.086541|0.088458|0.134220|0.150641|0.148140|0.179999|0.113965|0.076199|0.066486|0.073662|0.105514|0.095001|0.115687|0.104136|0.086642|0.068280|0.068798|0.088983|0.148428|0.500000| |2.386945|2.535429|2.457700|2.232129|5.423666|3.744929|4.729871|0.127567|7.130049|12.341187|0.182524|6.645500|5.425506|4.000843|4.755572|5.271686|5.101223|10.003357|4.358302|3.961606|3.169576|2.836182|2.977723|3.606607|3.210117|3.382105|2.764685|2.419860|2.441100|2.831173|3.435564|17.611582|8.730023|0.214237|6.461945|4.700691|4.372172|10.220128|7.243339|0.070125|0.066221|0.058596|0.060023|0.069587|0.072555|0.061522|0.062661|0.055577|0.099722|0.105149|0.171104|0.224498|0.139915|0.196773|0.117708|0.080318|0.068673|0.073431|0.098446|0.079200|0.093765|0.081352|0.073042|0.059825|0.060566|0.075924|0.110323|0.301107|0.500000| |1.904698|2.066917|2.050114|1.901905|4.278606|2.724597|3.268529|0.097009|3.898361|6.357205|0.122210|3.798193|3.776586|3.240065|4.159208|4.539414|3.828433|7.217257|3.241163|3.146712|2.584936|2.280230|2.320189|2.700045|2.985465|2.833130|2.352842|2.109735|2.165927|2.520688|2.971113|7.294683|8.662419|0.186962|17.578244|8.662036|5.740676|10.497168|5.213348|0.054505|0.052509|0.047995|0.051117|0.059761|0.059037|0.052161|0.054814|0.047999|0.070507|0.077851|0.094302|0.119291|0.088809|0.102901|0.098816|0.068237|0.056521|0.057934|0.073227|0.071827|0.088986|0.080317|0.061964|0.052564|0.054600|0.069537|0.097269|0.207912|0.195071|0.500000| |1.978307|2.205476|2.234448|2.039576|4.559274|2.857799|3.365089|0.105262|3.757684|5.624079|0.113420|3.236680|3.092753|2.760635|3.484441|3.634126|2.983965|5.423116|2.558468|2.481257|2.124273|1.921373|1.960033|2.229717|2.400865|2.555697|2.154239|1.989295|2.094307|2.455426|2.788754|5.627977|8.804121|0.228823|17.588375|8.795340|6.733010|11.407836|5.187889|0.056151|0.053787|0.049982|0.055465|0.066772|0.063927|0.055113|0.059892|0.051372|0.071744|0.083782|0.088544|0.118386|0.079451|0.086384|0.075528|0.056616|0.048482|0.049932|0.061379|0.059262|0.069633|0.065550|0.056000|0.049708|0.053619|0.069916|0.091640|0.143106|0.146270|0.302804|0.500000| |1.833855|2.000675|1.928572|1.903850|4.167098|2.536574|3.123066|0.094643|3.437265|5.970319|0.129570|3.730388|4.095911|3.899144|5.083453|5.189634|4.013637|6.687781|2.962149|2.735220|2.282198|2.083119|2.182573|2.568922|3.356520|3.479387|2.796971|2.499607|2.604821|3.127421|3.780321|5.721659|6.642616|0.136637|8.766232|17.561778|8.853800|12.312662|5.343126|0.051276|0.051488|0.046323|0.048376|0.056361|0.054025|0.053248|0.055366|0.047813|0.065228|0.069645|0.083215|0.096053|0.089743|0.093472|0.082011|0.059378|0.051837|0.055481|0.072340|0.078641|0.095017|0.095714|0.071969|0.061151|0.064788|0.086384|0.129468|0.191231|0.129891|0.217806|0.174083|0.500000| |1.744304|1.929129|1.902959|1.849410|3.953309|2.371262|2.812468|0.087408|2.988676|4.746597|0.102146|2.928928|3.036605|2.905638|3.791570|3.845993|2.965096|5.126042|2.398516|2.288501|1.965301|1.797649|1.852796|2.116056|2.585025|2.722750|2.285476|2.115590|2.240581|2.647012|3.005540|4.359752|5.697808|0.131243|8.687568|17.605030|8.724514|10.353370|4.673865|0.048613|0.048309|0.044462|0.047978|0.056516|0.053142|0.050994|0.054520|0.046770|0.060248|0.066685|0.072385|0.086489|0.072966|0.075473|0.068887|0.052140|0.045444|0.047542|0.059065|0.062733|0.073716|0.073668|0.059017|0.052634|0.057245|0.075642|0.099566|0.127908|0.106081|0.193136|0.219571|0.301731|0.500000| |2.067735|2.330591|2.206341|2.282386|4.956561|2.882354|3.630673|0.117775|3.575322|5.904427|0.144574|3.542141|3.664511|3.730121|4.553033|4.248516|3.249890|5.188384|2.410488|2.191122|1.894639|1.788681|1.905258|2.209218|2.687508|3.798136|3.039541|2.857815|3.196664|4.120096|4.730824|4.706502|5.957473|0.134959|5.723461|8.660755|17.644268|16.669446|6.348245|0.056404|0.058297|0.051990|0.054932|0.065688|0.060116|0.064286|0.068097|0.056357|0.071598|0.077553|0.084109|0.096419|0.091429|0.085137|0.063294|0.049237|0.045144|0.049679|0.064069|0.065835|0.072687|0.076738|0.074606|0.068592|0.080081|0.123084|0.174070|0.135719|0.104737|0.127029|0.136504|0.218375|0.193414|0.500000| 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