Version2.0 2020-07-19T18:46:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C39710536 RHF 6-31G(d) (6D,7F) CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C01[X(C27H38N6O3)] 216 C1 616 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+](Cc1ccco1)C[C@@H]1CCCO1 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+](Cc1ccco1)C[C@@H]1CCCO1 CCC1=CC2=C[C@@H]([C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+](C[C@@H]4CCCO4)Cc5occc5)C(=O)[NH+]=C2C=C1 InChIKey=JIQFSUUQLSRQJN-OPBMBUAESA-P InChI=1S/C27H36N6O3/c1-5-18-10-11-23-19(14-18)15-22(26(34)28-23)24(25-29-30-31-33(25)27(2,3)4)32(16-20-8-6-12-35-20)17-21-9-7-13-36-21/h6,8,10-12,14-15,21-22,24-25H,5,7,9,13,16-17H2,1-4H3,(H,29,31)/p+2/t21-,22-,24-,25+/m0/s1 InChI=1/C27H36N6O3/c1-5-18-10-11-23-19(14-18)15-22(26(34)28-23)24(25-29-30-31-33(25)27(2,3)4)32(16-20-8-6-12-35-20)17-21-9-7-13-36-21/h6,8,10-12,14-15,21-22,24-25H,5,7,9,13,16-17H2,1-4H3,(H,29,31)/p+2/t21-,22-,24-,25+/m0/s1/fC27H38N6O3/h28,31-32H/q+2 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C01[X(C27H38N6O3)] 216 C01 616 CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH+](Cc1ccco1)C[C@@H]1CCCO1 CC[C]1[CH][CH][C]2[C]([CH]=1)[CH][C@H](C(=O)N2)[C@@H]([C@@H]1N=NNN1C(C)(C)C)[NH](CC1=[CH][CH]=CO1)C[C@@H]1CCCO1 CCC1=C[C]2[CH][C@@H]([C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH](C[C@@H]4CCCO4)Cc5occc5)C(=O)N[C]2[CH][CH]1 InChIKey=DQHIYZNEPVMWEU-OPBMBUAESA-N InChI=1S/C27H38N6O3/c1-5-18-10-11-23-19(14-18)15-22(26(34)28-23)24(25-29-30-31-33(25)27(2,3)4)32(16-20-8-6-12-35-20)17-21-9-7-13-36-21/h6,8,10-12,14-15,21-22,24-25,32H,5,7,9,13,16-17H2,1-4H3,(H,28,34)(H,29,31)/t21-,22-,24-,25+/m0/s1 InChI=1/C27H38N6O3/c1-5-18-10-11-23-19(14-18)15-22(26(34)28-23)24(25-29-30-31-33(25)27(2,3)4)32(16-20-8-6-12-35-20)17-21-9-7-13-36-21/h6,8,10-12,14-15,21-22,24-25,32H,5,7,9,13,16-17H2,1-4H3,(H,28,34)(H,29,31)/t21-,22-,24-,25+/m0/s1/f/h28,31H 4253.5712208842 -1595.2214986 1-A 18486.0375 132 484 616 |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| -20.83447 -20.79959 -20.74848 -15.91811 -15.89350 -15.86920 -15.85748 -15.83500 -15.83419 -11.62427 -11.58111 -11.56891 -11.55698 -11.53890 -11.53050 -11.51150 -11.50820 -11.50226 -11.49974 -11.49115 -11.49013 -11.48696 -11.48687 -11.48017 -11.47470 -11.46867 -11.44139 -11.43103 -11.41963 -11.41948 -11.41696 -11.41373 -11.40830 -11.40712 -11.39051 -11.38617 -1.69904 -1.67372 -1.67115 -1.57890 -1.55112 -1.54413 -1.49788 -1.41319 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815.8854 829.0514 851.7488 879.9675 881.9838 885.2028 898.3793 920.9903 932.7604 952.2911 961.2786 962.7445 966.6936 973.4119 994.3031 999.4789 1000.8073 1002.7934 1007.4583 1012.7021 1014.5042 1017.1663 1018.8659 1044.6630 1046.6880 1048.8591 1052.0948 1055.8093 1070.4042 1075.2926 1093.5685 1106.5172 1109.9580 1114.7900 1128.8081 1135.1909 1143.8013 1153.6916 1156.7825 1164.9886 1185.3295 1194.2179 1199.1640 1201.2149 1209.6735 1226.2800 1254.2406 1258.6100 1269.3620 1276.3062 1290.1922 1297.2442 1313.9823 1324.2677 1337.7604 1340.2072 1342.8461 1348.3845 1357.9506 1362.4589 1376.9509 1379.1083 1387.5577 1391.7079 1397.0795 1407.0322 1424.9547 1440.1850 1445.3149 1450.4797 1463.5398 1482.9939 1487.6811 1490.1938 1496.3723 1509.6580 1521.8196 1526.3984 1527.7847 1534.4841 1537.9858 1552.1331 1558.9086 1565.8149 1568.8524 1569.5749 1581.2448 1582.2026 1590.3518 1600.3261 1615.2837 1622.2046 1623.7554 1624.6256 1629.3396 1634.3245 1636.5349 1639.5507 1640.2531 1644.8561 1648.8038 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2.8045 2.6528 2.3884 1.6828 3.1302 3.0601 5.4879 1.8236 2.3881 2.0352 1.8604 2.2868 1.8415 2.3666 1.6336 1.9220 2.3021 3.6576 3.0743 1.5300 2.5014 1.2029 1.7772 2.4710 2.2466 1.6658 2.6622 2.3137 2.7999 2.5127 1.5324 1.4286 1.6578 1.8950 2.8109 2.5277 1.7644 2.6417 2.1405 2.4493 2.0422 3.0227 2.4783 1.6430 2.1413 3.3588 1.3425 1.5125 1.3320 2.3362 2.3305 2.1675 1.3557 2.0472 1.3463 2.7016 1.2662 1.4128 1.7228 2.6025 1.2997 1.7944 1.3734 1.3466 1.3706 1.5072 1.3314 1.4690 1.3466 1.4350 1.4411 1.4287 2.2006 1.5669 1.4468 2.1774 1.3710 1.2741 1.2680 1.2232 1.3853 1.3692 1.2944 1.2559 1.8186 1.0517 1.0856 1.0520 1.1362 1.1111 1.0664 1.0974 1.2389 2.1234 1.0949 1.1114 1.0546 1.0746 1.0972 1.0589 1.1039 4.2536 4.2403 4.2186 5.9725 5.4931 9.9871 9.1857 1.0858 1.0788 1.0377 1.0620 1.0462 1.0384 1.0640 1.0394 1.0671 1.0651 1.1034 1.1033 1.1015 1.1040 1.1036 1.0979 1.1028 1.1030 1.1019 1.1018 1.0842 1.1005 1.0692 1.1088 1.0654 1.0904 1.0936 1.0914 1.1055 1.0972 1.1029 1.0937 1.0947 1.0996 1.1082 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61 62 63 64 65 66 67 68 69 70 71 72 73 74 6 6 6 6 6 6 7 1 6 8 6 1 6 6 6 6 1 6 1 7 7 7 7 6 6 6 6 7 1 6 6 6 6 6 8 6 6 1 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 1.00783 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 10386.2265 25630.2719 29078.3015 0.99995 -0.00718 -0.00674 0.00697 0.99950 -0.03097 0.00696 0.03092 0.99950 1 0.00834 0.00338 0.00298 0.17376 0.07041 0.06206 32.08 34.54 43.16 66.24 69.22 74.53 78.83 86.04 88.89 102.03 122.18 134.17 142.16 166.69 196.18 206.08 222.48 231.00 245.69 260.60 305.69 308.42 324.08 333.74 355.16 358.04 371.20 380.16 406.06 428.65 437.36 445.13 460.91 529.61 537.60 541.65 563.40 582.74 613.62 638.52 665.34 682.48 712.22 722.75 733.49 761.09 777.70 782.77 824.63 865.20 877.38 910.63 927.78 931.53 936.34 968.12 1026.26 1053.54 1057.47 1089.30 1102.17 1116.98 1155.80 1163.18 1173.88 1192.82 1225.48 1266.08 1268.98 1273.61 1292.57 1325.10 1342.03 1370.13 1383.07 1385.17 1390.86 1400.52 1430.58 1438.03 1439.94 1442.80 1449.51 1457.05 1459.65 1463.48 1465.92 1503.04 1505.95 1509.07 1513.73 1519.07 1540.07 1547.11 1573.40 1592.03 1596.98 1603.93 1624.10 1633.29 1645.67 1659.90 1664.35 1676.16 1705.42 1718.21 1725.33 1728.28 1740.45 1764.34 1804.57 1810.86 1826.33 1836.32 1856.30 1866.45 1890.53 1905.33 1924.74 1928.26 1932.06 1940.02 1953.79 1960.27 1981.13 1984.23 1996.39 2002.36 2010.09 2024.41 2050.19 2072.10 2079.49 2086.92 2105.71 2133.70 2140.44 2144.06 2152.95 2172.06 2189.56 2196.15 2198.14 2207.78 2212.82 2233.17 2242.92 2252.86 2257.23 2258.27 2275.06 2276.44 2288.16 2302.51 2324.03 2333.99 2336.22 2337.47 2344.26 2351.43 2354.61 2358.95 2359.96 2366.58 2372.26 2372.78 2379.35 2383.21 2384.80 2397.61 2425.97 2439.35 2468.31 2536.97 2619.31 2620.16 2730.70 2880.55 4572.44 4580.70 4624.69 4628.03 4628.10 4632.00 4640.42 4642.73 4672.71 4684.86 4692.52 4715.44 4721.20 4726.66 4732.54 4742.03 4745.95 4750.50 4751.46 4757.19 4762.21 4765.44 4766.56 4779.80 4785.64 4846.90 4865.32 4871.26 4888.56 4892.94 4898.59 4922.28 4970.40 4984.87 5020.39 5262.95 5458.42 5531.59 0.687759 0.719657 0.720601 0.622818 -1594.533740 -1594.501842 -1594.500897 -1594.598680 3.279658D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE CCc1ccc2=[NH+]C(=O)[C@@H](C=c2c1)[C@@H]([C@@H]3N=NNN3C(C)(C)C)[NH+](Cc4ccco4)C[C@@H]5CCCO5 C39710536 RHF 6-31G(d) (6D,10F) C1 494.300539 |X|Y|Z| 111.413720 63.085013 45.752604 68.510988 29 6 7 8 21 6 2 |36.858105| |12.418299|36.858105| |7.495718|12.580115|36.858105| |5.896972|7.473823|13.308764|36.858105| |4.240950|4.961312|7.681510|13.874394|36.858105| |3.710466|4.362736|6.673569|7.998574|13.692511|36.858105| |2.955261|3.328479|4.523692|5.247548|7.966363|14.039927|53.358707| |2.745897|3.036267|3.974477|4.829131|7.373954|9.323850|25.873671|0.500000| |2.578032|2.879412|3.722826|3.963243|5.173054|7.853637|18.907657|0.263348|36.858105| |2.232398|2.450820|3.040178|3.259325|4.121187|5.452119|11.595729|0.219183|15.996028|73.516695| |2.675408|3.009758|3.857647|3.766234|4.483368|6.662107|10.553025|0.157942|12.551515|14.266763|36.858105| |2.658822|2.892530|3.634493|3.541247|4.137724|5.796619|8.934064|0.141554|9.178666|12.181801|17.454708|0.500000| |3.258554|3.829146|5.174394|4.630918|5.193796|7.913752|9.358486|0.140337|7.543890|9.336093|12.764774|0.262585|36.858105| |4.016209|4.937170|7.798339|6.911489|7.815305|13.270713|10.725997|0.159216|6.631202|8.340842|7.624286|0.180634|14.032304|36.858105| |5.417227|7.544911|14.105513|8.043775|6.772420|7.680113|6.966618|0.117079|4.415509|6.157319|4.971423|0.127286|7.774732|13.196541|36.858105| |2.269417|2.542861|3.081586|2.962734|3.363451|4.450673|6.842268|0.115693|7.332081|11.588423|12.250269|0.247703|7.472451|5.037334|3.830315|36.858105| |2.270292|2.524848|2.997088|2.796863|3.068006|3.937440|5.689099|0.097602|5.490756|8.676808|8.964349|0.223819|7.021086|4.687823|3.766590|17.639172|0.500000| |2.178878|2.499652|2.988107|2.867390|3.203165|4.080773|6.054993|0.106026|5.805924|9.534232|7.310130|0.151025|6.087509|4.564435|3.644898|12.250862|0.247058|36.858105| |2.013110|2.288574|2.656364|2.517659|2.740109|3.357192|4.856535|0.087330|4.431118|7.530935|5.485473|0.125073|4.871040|3.778792|3.192173|8.858506|0.228511|17.732607|0.500000| |2.001358|2.277195|2.706872|2.707713|3.096726|3.830165|6.026347|0.111385|5.733230|10.620265|5.759102|0.124791|4.666130|3.901511|3.146831|7.622183|0.156863|12.953874|0.253982|53.358707| |2.119231|2.450102|2.950591|3.010850|3.495125|4.288458|6.712576|0.125848|5.891263|10.436892|5.385613|0.115689|4.695471|4.199353|3.376286|5.919605|0.128014|8.707216|0.178335|21.417628|53.358707| |2.466432|2.946979|3.663171|3.648800|4.201495|5.359559|7.676627|0.134844|6.267278|9.574836|6.182155|0.126854|6.134988|5.556587|4.348486|6.097984|0.136486|8.704548|0.172529|12.169831|18.933775|53.358707| |2.475994|2.951913|3.594520|3.360673|3.681717|4.708438|6.413686|0.110112|5.495871|8.299674|6.727815|0.137625|7.155522|5.590415|4.510889|7.659561|0.182037|13.182429|0.253241|11.208200|11.417260|18.201778|53.358707| |2.336901|2.803454|3.230578|2.947737|3.067659|3.632598|4.769560|0.085646|3.834518|6.083911|4.469850|0.101589|4.976114|4.279247|3.899647|5.075893|0.135798|7.569552|0.206879|7.858274|8.033832|10.482180|17.165316|36.858105| |1.993692|2.337153|2.630058|2.485294|2.608896|2.991786|4.080298|0.076057|3.288760|5.519267|3.591478|0.084051|3.691914|3.293223|3.016837|4.192299|0.109911|6.268603|0.187129|7.908929|8.019737|8.527992|10.192927|12.414481|36.858105| |2.275756|2.674465|2.991996|2.655865|2.704753|3.175252|4.138272|0.074291|3.357720|5.359233|4.135895|0.099081|4.661313|3.860863|3.655020|4.871219|0.146027|6.299613|0.198529|6.180988|5.817237|6.895061|10.600513|12.427380|7.548360|36.858105| |2.624681|3.283459|3.725459|3.312623|3.304576|3.740966|4.628028|0.083925|3.459908|5.398035|3.855195|0.090009|4.618636|4.428940|4.383588|3.921303|0.105469|5.010252|0.130842|5.826519|6.462423|8.842639|10.557020|12.414501|7.579156|7.669487|36.858105| |1.975266|2.157501|2.553847|2.526511|2.885115|3.636981|5.869831|0.105984|6.238037|12.138470|7.487046|0.193117|4.914915|3.796508|3.018376|12.583560|0.253784|7.524619|0.183262|9.175972|6.877820|6.247195|6.851091|3.804137|3.468635|3.681120|3.061633|53.358707| |1.946831|2.130091|2.537016|2.571424|3.000729|3.773997|6.416953|0.118935|7.082785|16.167314|7.008519|0.172810|4.608118|3.740083|2.944123|9.348580|0.182662|6.998772|0.161596|10.389183|7.835183|6.628602|6.644347|3.656517|3.423376|3.372678|3.000029|25.630054|0.500000| |1.954200|2.080910|2.443415|2.428020|2.761031|3.415381|5.468665|0.100293|5.478203|10.548538|6.366718|0.204410|4.394488|3.521124|2.850023|7.452477|0.191251|4.853040|0.123643|6.031651|5.058218|4.821961|5.166880|3.027031|2.745769|3.020888|2.572642|16.929222|0.259167|36.858105| |1.966979|2.072741|2.390945|2.311735|2.545675|3.091029|4.636995|0.084431|4.289253|7.576024|5.401993|0.183350|4.204234|3.342159|2.811566|6.211815|0.194949|4.230322|0.113743|4.940537|4.239974|4.218614|4.726215|2.888161|2.577114|3.039392|2.476080|10.228625|0.158175|12.845250|36.858105| |1.773266|1.848866|2.081675|2.005397|2.167383|2.547430|3.741332|0.069680|3.298831|5.902309|3.940014|0.126209|3.313672|2.742781|2.400756|4.515972|0.142762|3.447479|0.096772|4.124019|3.575016|3.532663|3.944509|2.526246|2.305802|2.712736|2.187109|7.243167|0.119905|7.383520|14.212424|36.858105| |1.839524|1.898944|2.108837|1.995046|2.112053|2.453032|3.480991|0.064499|2.959322|5.108290|3.593070|0.115930|3.233085|2.704339|2.436909|3.918955|0.128588|3.088341|0.087074|3.623679|3.220449|3.274757|3.701544|2.425971|2.179187|2.673431|2.140734|5.621033|0.096002|5.158737|8.565584|13.245046|36.858105| |2.111374|2.184044|2.454969|2.288299|2.415736|2.852398|3.975819|0.072110|3.369863|5.592889|4.304817|0.145448|3.968904|3.240472|2.902411|4.462366|0.151555|3.386291|0.093132|3.856419|3.468156|3.626415|4.154067|2.673675|2.327315|2.957485|2.377210|5.913499|0.100560|5.335661|8.744056|8.601137|14.245912|36.858105| |2.233652|2.348556|2.726007|2.573002|2.793281|3.430389|4.926459|0.087334|4.402988|7.199785|6.022572|0.223664|5.042358|3.893684|3.289241|6.150794|0.209482|4.172588|0.110304|4.667075|4.140941|4.328553|4.959210|3.027141|2.599953|3.248812|2.645820|8.077574|0.131716|7.827719|14.002620|8.602294|8.601170|14.088507|73.516695| |1.745945|1.901192|2.187738|2.145154|2.384170|2.876184|4.440365|0.082824|4.249104|8.215234|4.868237|0.127420|3.753893|3.026185|2.538787|7.526326|0.192230|6.470596|0.191673|8.247287|6.009098|5.286827|5.927841|3.614934|3.505950|3.619687|2.850649|17.068162|0.257247|7.577322|6.075557|5.145961|3.947345|3.861702|8.381990|36.858105| |1.563708|1.681671|1.913158|1.907858|2.123306|2.490857|3.883170|0.075050|3.580347|7.285063|3.753854|0.101291|2.985016|2.532359|2.161682|4.909750|0.125535|4.477413|0.128479|6.442198|5.041193|4.329935|4.555161|2.884489|2.902059|2.840091|2.376285|10.193221|0.200633|6.188267|4.891263|4.517369|3.433249|3.227048|6.691425|12.478603|36.858105| |1.572487|1.693573|1.939309|1.963741|2.215817|2.595861|4.148216|0.081569|3.848786|8.263959|3.795181|0.100809|2.976550|2.570357|2.172515|4.735144|0.114968|4.411761|0.120325|6.904898|5.472070|4.530297|4.555061|2.838068|2.878023|2.701610|2.368406|9.722518|0.226777|5.829990|4.330341|3.867857|3.032200|2.926385|6.141714|8.883128|17.481657|0.500000| |1.420753|1.527722|1.709931|1.696636|1.857993|2.132774|3.239268|0.063178|2.859021|5.639035|2.992835|0.080099|2.518458|2.180338|1.910998|3.796657|0.100813|3.774186|0.113967|5.460309|4.404108|3.797393|4.008872|2.679152|2.806671|2.667707|2.215683|6.671873|0.132345|4.191493|3.694053|3.634868|2.933610|2.725675|5.374934|7.509529|12.452324|0.245663|36.858105| |1.310498|1.392357|1.546484|1.544608|1.687250|1.907692|2.892828|0.057212|2.498416|4.949452|2.562556|0.070325|2.181949|1.927189|1.706204|3.068014|0.082295|2.958758|0.086602|4.261398|3.611358|3.176461|3.292618|2.214759|2.294295|2.210586|1.890779|5.296902|0.107044|3.683016|3.309243|3.389185|2.744502|2.496139|4.813104|5.115110|8.062057|0.189983|12.459500|36.858105| |1.359888|1.433414|1.596542|1.592342|1.742569|1.981161|3.012638|0.059261|2.621650|5.182407|2.722939|0.077019|2.288011|2.006761|1.768727|3.222508|0.087810|2.929474|0.084345|4.074318|3.471031|3.124633|3.265923|2.160665|2.169292|2.183739|1.857683|5.751040|0.112680|4.389303|4.005379|4.275505|3.284494|2.888918|5.554484|5.312376|8.141573|0.181682|7.997565|12.468000|36.858105| |1.513822|1.604627|1.812931|1.807435|2.000539|2.323569|3.593150|0.069762|3.244782|6.509134|3.418710|0.097192|2.754089|2.360529|2.036152|4.189924|0.112295|3.611770|0.102306|4.964547|4.109302|3.682908|3.878474|2.482944|2.444758|2.497131|2.103304|8.325313|0.157849|6.490957|5.433465|5.438623|3.876383|3.462581|7.006809|7.897848|13.597709|0.258721|8.161514|8.071347|13.296192|73.516695| |17.552037|8.723742|6.754685|6.350347|4.530452|3.756504|4.102246|0.079324|2.576327|3.992557|2.597915|0.071958|3.077915|3.823538|4.813186|2.187265|0.060050|2.092498|0.053421|2.658955|2.830300|3.256709|3.200888|2.192968|1.896617|2.107484|2.436683|2.626941|0.053348|1.920470|1.911243|1.720698|1.769312|2.016369|3.817851|1.699171|1.535997|0.043195|1.392260|1.290792|1.340235|2.649365|0.500000| |17.590117|8.822033|5.489183|4.542622|3.461203|3.085720|3.457461|0.066245|2.259281|3.533662|2.347984|0.064774|2.806262|3.326320|4.309330|2.041374|0.057038|1.980148|0.051420|2.485677|2.622154|3.018403|3.045162|2.155843|1.862428|2.118238|2.428984|2.441050|0.049035|1.772455|1.792935|1.636121|1.703534|1.934861|3.590162|1.607808|1.448147|0.040348|1.327719|1.228708|1.271098|2.496056|0.302535|0.500000| |17.567536|8.759011|6.770650|5.258892|4.047926|3.716613|4.065148|0.076141|2.646107|4.057054|2.805044|0.079069|3.433684|4.146443|5.536592|2.364878|0.066524|2.224299|0.057222|2.746747|2.868879|3.324313|3.397086|2.333756|1.978520|2.314999|2.563638|2.798911|0.055779|2.062140|2.105502|1.897817|1.992759|2.316306|4.322374|1.809292|1.613909|0.044839|1.459266|1.347667|1.409253|2.797774|0.301380|0.301538|0.500000| |8.837186|17.575398|8.951046|5.568775|4.144001|3.913166|4.180383|0.077079|2.751979|4.180884|2.968763|0.079075|3.834958|4.686632|7.250712|2.567825|0.072043|2.545821|0.065576|3.100375|3.300333|3.986183|4.127604|2.960740|2.434727|2.894886|3.517632|2.936343|0.058507|2.068337|2.087974|1.873653|1.942151|2.239265|4.232353|1.921346|1.686406|0.046789|1.540776|1.398307|1.437418|2.856355|0.172482|0.213388|0.210698|0.500000| |8.827842|17.547968|8.941560|6.905913|4.660596|3.960308|4.220569|0.080345|2.674814|4.111358|2.729128|0.072019|3.362792|4.241417|5.836011|2.347702|0.064107|2.356894|0.060118|2.978997|3.245390|3.876929|3.796863|2.694502|2.291279|2.523200|3.219644|2.741860|0.055756|1.926634|1.899558|1.703915|1.735097|1.966838|3.758842|1.792625|1.599195|0.044955|1.463606|1.335865|1.365126|2.700511|0.209366|0.213716|0.172728|0.304511|0.500000| |6.060242|7.019175|8.831862|17.708284|9.067078|5.693811|5.777218|0.114340|3.316127|5.040108|3.121454|0.082640|3.670966|4.971243|5.713406|2.545517|0.067111|2.487081|0.061605|3.251344|3.605797|4.239579|3.898010|2.581863|2.233878|2.342244|2.909454|3.028243|0.063125|2.153306|2.055997|1.810146|1.803802|2.042281|4.019256|1.921659|1.734594|0.049675|1.557706|1.430209|1.470173|2.935329|0.200423|0.133085|0.140607|0.141575|0.202255|0.500000| |3.662533|4.071744|5.529475|8.943936|17.739749|8.877936|9.805035|0.219673|4.744753|7.132274|3.901993|0.101461|4.189351|5.571125|4.902074|3.031957|0.076295|2.904359|0.069593|3.957993|4.484614|5.133423|4.405430|2.732513|2.401099|2.407215|2.904865|3.676295|0.079402|2.605539|2.370519|2.036296|1.966579|2.212731|4.522186|2.252388|2.048290|0.060040|1.797394|1.647658|1.697450|3.441263|0.111982|0.085608|0.096563|0.095775|0.110550|0.218816|0.500000| |3.198637|3.746721|4.745234|4.011490|4.196211|5.625321|6.746103|0.109246|5.448455|7.495388|8.652536|0.208938|17.751887|9.044186|7.135660|6.926604|0.211522|5.832551|0.139595|5.774694|5.618256|7.135797|9.327278|5.249980|3.763282|5.450671|4.798079|6.224203|0.114197|4.121950|4.224465|3.412230|3.445182|4.323031|9.377988|3.693402|2.895257|0.078221|2.487552|2.147835|2.253671|4.780103|0.081839|0.077757|0.094969|0.109056|0.090551|0.091084|0.096390|0.500000| |5.119957|6.918836|9.024860|5.664022|4.900245|5.537917|5.668179|0.097179|3.856672|5.536603|4.587755|0.119473|7.139468|8.807748|17.715262|3.759821|0.107212|3.600254|0.090143|4.104404|4.294562|5.456935|6.060939|4.046977|3.067078|4.018436|4.560542|4.000098|0.077943|2.774009|2.819287|2.438632|2.524267|3.032066|5.958899|2.524504|2.130053|0.058633|1.900365|1.691865|1.754529|3.576152|0.120224|0.118381|0.150840|0.218660|0.147881|0.124582|0.106664|0.217194|0.500000| |2.501254|3.042231|3.725830|3.727352|4.169801|4.954139|6.684874|0.122389|4.976889|7.777693|4.813505|0.105131|5.108078|5.050886|4.252938|4.651765|0.110684|6.200198|0.138532|8.830017|13.166972|25.957897|12.626521|7.417361|6.349432|4.737398|7.459392|5.038121|0.108424|2.990245|2.675660|2.292030|2.155044|2.373771|4.909904|3.258375|2.758376|0.080051|2.485810|2.111906|2.063512|4.232766|0.067400|0.062855|0.067627|0.083875|0.083581|0.089627|0.104685|0.125572|0.108636|0.500000| |1.850929|2.129877|2.394051|2.280405|2.418900|2.793243|3.909418|0.073188|3.248004|5.598400|3.572577|0.084500|3.500783|3.045735|2.747525|4.431444|0.116499|6.793445|0.229690|8.720645|7.872105|7.514764|9.082972|8.689049|17.569611|6.853607|5.478888|5.169096|0.103115|2.932617|2.739634|2.467436|2.296578|2.413893|4.797336|4.054803|3.314015|0.090029|3.270319|2.593055|2.411909|4.836768|0.049123|0.048068|0.051468|0.061373|0.057606|0.057112|0.062390|0.099391|0.077609|0.144531|0.500000| |1.913004|2.236642|2.452596|2.297029|2.361425|2.641959|3.544684|0.066720|2.794838|4.699887|3.043003|0.073231|3.191102|2.912702|2.766221|3.460873|0.093630|4.710872|0.142871|5.957923|6.051967|6.462726|7.483251|8.856704|17.586647|6.894632|7.004882|3.999030|0.080029|2.408324|2.305929|2.102223|2.015448|2.140723|4.160420|3.008797|2.552433|0.069804|2.520857|2.097888|1.981487|3.899217|0.050321|0.050195|0.052553|0.065394|0.061366|0.058073|0.060585|0.091999|0.079282|0.138580|0.303307|0.500000| |1.971939|2.315039|2.620961|2.537618|2.696486|3.055208|4.216811|0.079939|3.343128|5.683582|3.466653|0.080786|3.510524|3.239099|2.942210|3.894371|0.098651|5.659298|0.155119|8.180010|9.256186|9.337325|9.175806|8.703122|17.570865|5.470097|6.831401|4.510321|0.094008|2.637722|2.423506|2.160750|2.027271|2.159793|4.314949|3.287264|2.806502|0.079345|2.704135|2.236034|2.101404|4.195270|0.052633|0.051092|0.053862|0.065966|0.063858|0.063732|0.069821|0.095723|0.080953|0.209525|0.301443|0.303431|0.500000| |2.532230|2.993451|3.361301|2.886793|2.895516|3.428905|4.339807|0.076692|3.478382|5.402129|4.462739|0.108620|5.432730|4.396779|4.268440|4.969857|0.156019|5.708845|0.166476|5.559390|5.302203|6.481471|9.750299|8.762552|5.482047|17.557988|6.992691|4.969602|0.091766|3.099686|3.200595|2.831735|2.861251|3.266537|6.350193|3.450579|2.710763|0.071588|2.497556|2.105853|2.122688|4.339639|0.064247|0.065034|0.072440|0.091610|0.076723|0.069878|0.070330|0.193900|0.136987|0.122864|0.139811|0.140870|0.122232|0.500000| |2.160646|2.529688|2.740795|2.430191|2.431604|2.766369|3.582069|0.065487|2.837121|4.598648|3.358328|0.082697|3.765512|3.287938|3.238974|3.821343|0.113512|4.726358|0.147979|5.098039|4.908879|5.648066|7.641074|8.856778|6.898338|17.598361|7.064172|4.174647|0.079199|2.591246|2.625734|2.402876|2.394622|2.609565|4.957650|3.082919|2.510866|0.066459|2.419034|2.033624|1.993690|3.969068|0.055399|0.056677|0.060645|0.076864|0.067115|0.060519|0.060688|0.119831|0.099529|0.113147|0.170214|0.206805|0.140684|0.302359|0.500000| |2.077703|2.384272|2.665932|2.413341|2.495782|2.943610|3.958681|0.071510|3.313141|5.421329|4.122837|0.100349|4.322691|3.491640|3.219794|5.282410|0.164821|6.813982|0.251508|6.489669|5.709934|6.286710|9.351389|8.665218|6.830064|17.568544|5.506989|5.562224|0.101150|3.285223|3.338596|3.007872|2.925995|3.175024|6.186550|4.234294|3.217013|0.082932|3.047716|2.469137|2.431162|4.966949|0.053922|0.053803|0.059176|0.070784|0.062399|0.059487|0.062500|0.138730|0.096759|0.115881|0.203054|0.169607|0.139343|0.300468|0.304568|0.500000| |2.579209|3.235194|3.694071|3.423992|3.453695|3.809332|4.743855|0.087776|3.452528|5.445205|3.629606|0.084627|4.204433|4.240424|4.141945|3.602461|0.093855|4.576427|0.116258|5.795827|6.874641|9.434454|9.184462|8.659248|6.952208|5.510360|17.556928|3.950259|0.081089|2.445981|2.308710|2.039290|1.977072|2.177631|4.327366|2.688063|2.291270|0.064511|2.138843|1.838002|1.794734|3.596483|0.067581|0.066277|0.068851|0.093484|0.090632|0.084449|0.085576|0.114771|0.113644|0.259836|0.140281|0.176379|0.205432|0.140751|0.143808|0.121882|0.500000| |2.460096|3.034864|3.279221|2.903167|2.838063|3.118424|3.884891|0.071709|2.899779|4.622155|3.214136|0.077528|3.763937|3.631018|3.732197|3.321353|0.091631|4.110632|0.113081|4.882154|5.249292|6.542813|7.633364|8.853223|6.845282|7.145500|17.598473|3.657697|0.072720|2.298725|2.247009|2.024234|2.000623|2.198867|4.253916|2.571681|2.176137|0.059795|2.068912|1.778071|1.739336|3.451839|0.063087|0.064465|0.066616|0.091976|0.083574|0.072525|0.070349|0.111217|0.110669|0.149621|0.140669|0.207680|0.166241|0.176866|0.218341|0.143943|0.305233|0.500000| |3.060875|3.972610|4.589841|3.856129|3.731593|4.246222|4.983099|0.088574|3.631151|5.490351|4.146572|0.097448|5.417723|5.384638|5.665761|3.984320|0.108944|4.716337|0.120144|5.335268|5.849017|8.186289|9.832060|8.756050|5.496393|6.901831|17.573140|4.154069|0.082345|2.625873|2.560208|2.244718|2.227744|2.522681|4.994793|2.766553|2.301022|0.063571|2.115090|1.824171|1.819707|3.680766|0.077527|0.077666|0.083144|0.120900|0.105748|0.091883|0.088263|0.159893|0.169366|0.182362|0.122233|0.141520|0.140478|0.207127|0.171144|0.140240|0.300454|0.301780|0.500000| |1.769528|1.870796|2.164688|2.172309|2.458304|2.948879|4.716509|0.089727|4.506364|9.173589|4.793261|0.146337|3.547987|2.971772|2.468218|5.547511|0.143305|4.118305|0.108173|5.446836|4.589498|4.245515|4.440857|2.688977|2.518505|2.672212|2.304032|12.379859|0.224815|17.724853|9.069758|6.942123|4.674159|4.472743|10.248540|7.328148|7.370375|0.193115|4.703298|4.322040|5.504347|16.005493|0.048568|0.044932|0.051581|0.051552|0.048567|0.054297|0.065608|0.093161|0.066723|0.074535|0.075417|0.061936|0.067827|0.074919|0.064908|0.080977|0.061481|0.057878|0.064558|0.500000| |2.087634|2.212200|2.640081|2.671512|3.110239|3.909184|6.519365|0.119039|6.700417|12.966560|7.167106|0.251086|4.736613|3.888988|3.065777|6.784702|0.165679|4.515482|0.110359|5.759421|5.072735|4.925937|5.078319|2.929366|2.627259|2.857541|2.557984|12.292330|0.234191|17.678156|8.911477|5.722690|4.477725|4.890415|12.762678|5.598709|4.862813|0.137106|3.507309|3.165216|3.670052|8.893751|0.057506|0.052103|0.061288|0.060276|0.056690|0.065416|0.081877|0.117436|0.080987|0.085050|0.076216|0.064082|0.071196|0.082421|0.068362|0.083792|0.068345|0.063000|0.073472|0.303463|0.500000| |1.619428|1.686616|1.885451|1.833224|1.982873|2.299704|3.403986|0.064477|2.979297|5.482165|3.406655|0.105292|2.874657|2.431113|2.143002|3.942457|0.119458|3.161574|0.089853|3.916149|3.384662|3.275316|3.598777|2.337178|2.186306|2.484466|2.024404|6.610259|0.113440|6.405664|8.851464|17.804672|8.442869|5.855357|10.432538|5.101256|4.911810|0.113779|4.011593|3.898331|5.273557|11.642468|0.043851|0.041740|0.047775|0.047367|0.043565|0.046360|0.052326|0.081307|0.060158|0.059441|0.065601|0.055604|0.057258|0.070663|0.061880|0.076823|0.052868|0.052381|0.057041|0.193072|0.138606|0.500000| |1.718601|1.760610|1.924052|1.817897|1.903550|2.170866|3.050457|0.057144|2.538494|4.401785|3.001069|0.094323|2.775785|2.380315|2.192322|3.245435|0.104391|2.678050|0.076343|3.190402|2.864159|2.908730|3.265378|2.191803|1.992344|2.428533|1.956021|4.619695|0.081138|4.048093|5.842269|8.452463|17.811538|8.837958|10.429424|3.357945|3.019866|0.074392|2.680230|2.558449|3.039106|6.074591|0.045881|0.044607|0.051673|0.050187|0.044869|0.046090|0.049485|0.082417|0.063416|0.053867|0.058245|0.051822|0.051516|0.071829|0.061556|0.073570|0.050275|0.051392|0.056364|0.106227|0.100069|0.193121|0.500000| |2.267170|2.322634|2.580195|2.360168|2.442457|2.848422|3.847116|0.069616|3.151913|5.121517|4.004645|0.133194|3.957780|3.304066|3.057644|3.964390|0.133047|3.127190|0.085676|3.555928|3.265195|3.484653|3.996621|2.616152|2.249214|2.923024|2.379336|5.005384|0.087666|4.266656|6.014860|5.816604|8.629257|17.835315|16.436613|3.278358|2.768635|0.070917|2.394178|2.199130|2.488708|5.171242|0.059540|0.057755|0.070129|0.066708|0.057466|0.058525|0.061597|0.123105|0.090517|0.064183|0.063846|0.058037|0.057916|0.091780|0.072385|0.085240|0.060234|0.061503|0.071213|0.101046|0.113854|0.123125|0.195540|0.500000| |1.732491|1.875370|2.134552|2.061201|2.252632|2.695307|4.039518|0.074900|3.745296|6.923479|4.493575|0.122552|3.630025|2.906443|2.488646|6.714245|0.201321|5.594983|0.175285|6.549437|5.063456|4.699175|5.463971|3.460361|3.291455|3.670350|2.748862|12.294068|0.181137|7.081906|6.911267|6.270726|4.717406|4.452826|9.329206|17.649663|8.801243|0.174111|6.566890|4.785168|5.228960|13.102247|0.046534|0.044480|0.050238|0.053103|0.048834|0.051374|0.058698|0.103168|0.069988|0.082010|0.104946|0.080316|0.083781|0.098795|0.087348|0.122361|0.070772|0.069875|0.074883|0.185549|0.142833|0.171070|0.110280|0.102452|0.500000| |1.742159|1.920311|2.205408|2.156249|2.385363|2.864736|4.370318|0.081631|4.104578|7.804966|4.637887|0.115230|3.726366|3.027096|2.557546|7.235113|0.179538|7.850958|0.257397|10.378930|6.991391|5.919246|6.738942|4.176947|4.222574|4.084188|3.161043|12.323071|0.218685|5.565364|4.700227|4.083984|3.358797|3.358118|7.098391|17.735607|9.010019|0.209558|7.203710|4.675865|4.434079|10.269893|0.046963|0.044686|0.049740|0.054125|0.050654|0.053686|0.062478|0.102295|0.070805|0.100845|0.142753|0.098165|0.108796|0.103588|0.095925|0.135562|0.082755|0.079023|0.083007|0.146909|0.126382|0.111625|0.081389|0.081943|0.299367|0.500000| |1.419106|1.526926|1.698139|1.664978|1.803377|2.068411|3.085145|0.059580|2.700219|5.169037|2.917163|0.078363|2.506627|2.153385|1.907641|3.753779|0.103843|3.755546|0.118320|5.141473|4.162089|3.688119|4.014066|2.744254|2.867137|2.819417|2.250222|6.273336|0.118283|3.971343|3.721454|3.774061|3.094485|2.839712|5.479398|7.230379|8.811392|0.174383|17.527455|8.804832|6.822837|12.200145|0.038402|0.036946|0.040597|0.043098|0.040533|0.042429|0.048081|0.070177|0.053317|0.067355|0.093801|0.072323|0.074987|0.073027|0.071370|0.091525|0.059529|0.058902|0.059635|0.119186|0.091540|0.115593|0.079265|0.069276|0.202056|0.197597|0.500000| |1.403786|1.518642|1.698823|1.692542|1.854860|2.117790|3.216082|0.063154|2.811399|5.560960|2.885273|0.075587|2.456496|2.150046|1.888633|3.621526|0.094151|3.817935|0.115317|5.822582|4.703926|3.944493|4.089574|2.766751|2.998242|2.690655|2.281745|6.071334|0.125708|3.679896|3.212327|3.090876|2.576232|2.450367|4.843360|6.342736|8.705726|0.220177|17.602013|8.659989|5.698020|10.365668|0.038253|0.036490|0.039791|0.042503|0.040675|0.043270|0.050023|0.066993|0.051980|0.072256|0.098425|0.074548|0.081377|0.068821|0.068202|0.084702|0.061800|0.059244|0.059674|0.111045|0.088626|0.091944|0.065695|0.060822|0.148521|0.193092|0.300713|0.500000| |1.234688|1.308759|1.440644|1.432812|1.550604|1.737114|2.597993|0.051409|2.206537|4.293910|2.278144|0.062603|1.983222|1.764241|1.582322|2.695985|0.073560|2.638403|0.078151|3.746225|3.226826|2.877417|2.999165|2.060298|2.148879|2.078534|1.771972|4.452467|0.089012|3.120034|2.914244|3.051975|2.547392|2.303226|4.341650|4.196467|5.732368|0.138129|8.694617|17.614479|8.727706|10.383736|0.033723|0.032312|0.035246|0.036630|0.034951|0.037019|0.042042|0.054738|0.043828|0.053754|0.067359|0.055362|0.057934|0.054910|0.053804|0.064477|0.047764|0.046762|0.047412|0.098651|0.075576|0.097324|0.067295|0.056948|0.114075|0.110172|0.217599|0.194539|0.500000| 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