Version2.0 2020-01-07T10:50:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@@H](C)C[NH+]5CCC(CC5)C(=O)N)C C10050109 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@@H](C)C[NH+]5CCC(CC5)C(=O)N)C C01[X(C26H34N7O3)] 204 C1 608 Cc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C[C@H](C[NH+]1CCC(CC1)C(=O)N)C Cc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C[C@H](C[NH+]1CCC(CC1)C(=O)N)C C[C@H](CN1C(=O)N(C)c2nc3n(cc(C)n3c4cccc(C)c4)c2C1=O)C[NH+]5CCC(CC5)C(N)=O InChIKey=KLHVCTJGIPKBNE-KRWDZBQOSA-O InChI=1S/C26H33N7O3/c1-16-6-5-7-20(12-16)33-18(3)15-31-21-23(28-25(31)33)29(4)26(36)32(24(21)35)14-17(2)13-30-10-8-19(9-11-30)22(27)34/h5-7,12,15,17,19H,8-11,13-14H2,1-4H3,(H2,27,34)/p+1/t17-/m0/s1 InChI=1/C26H33N7O3/c1-16-6-5-7-20(12-16)33-18(3)15-31-21-23(28-25(31)33)29(4)26(36)32(24(21)35)14-17(2)13-30-10-8-19(9-11-30)22(27)34/h5-7,12,15,17,19H,8-11,13-14H2,1-4H3,(H2,27,34)/p+1/t17-/m0/s1/fC26H34N7O3/h30H,27H2/q+1 Cc1cccc(c1)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@@H](C)C[NH+]5CCC(CC5)C(=O)N)C C01[X(C26H34N7O3)] 204 C01 608 Cc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C[C@H](C[NH+]1CCC(CC1)C(=O)N)C C[C@H](CN1C(=O)[C@H]2[C@@H](N(C1=O)C)N[C@H]1N2C=C(N1c1cccc(c1)C)C)C[NH]1CC[C@H](CC1)C(=O)N C[C@H](CN1C(=O)[C@H]2[C@H](N[C@H]3N2C=C(C)N3c4cccc(C)c4)N(C)C1=O)C[NH]5CC[C@H](CC5)C(N)=O InChIKey=GDIZOMZJFFAYAS-LHRZFOQESA-N InChI=1S/C26H38N7O3/c1-16-6-5-7-20(12-16)33-18(3)15-31-21-23(28-25(31)33)29(4)26(36)32(24(21)35)14-17(2)13-30-10-8-19(9-11-30)22(27)34/h5-7,12,15,17,19,21,23,25,28,30H,8-11,13-14H2,1-4H3,(H2,27,34)/t17-,21+,23+,25-/m0/s1 InChI=1/C26H38N7O3/c1-16-6-5-7-20(12-16)33-18(3)15-31-21-23(28-25(31)33)29(4)26(36)32(24(21)35)14-17(2)13-30-10-8-19(9-11-30)22(27)34/h5-7,12,15,17,19,21,23,25,28,30H,8-11,13-14H2,1-4H3,(H2,27,34)/t17-,21+,23+,25-/m0/s1/f/h27H2 3749.3137239802 -1610.0009697 1-A 32164.2729 131 477 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62694 -20.60952 -20.60859 -15.83639 -15.71150 -15.70280 -15.69798 -15.69531 -15.68773 -15.62266 -11.47254 -11.45661 -11.44324 -11.43221 -11.42901 -11.42171 -11.41975 -11.39866 -11.37427 -11.37174 -11.37092 -11.36329 -11.35896 -11.35826 -11.34933 -11.34361 -11.32981 -11.32574 -11.32541 -11.30969 -11.30612 -11.30376 -11.30264 -11.30076 -11.29684 -11.28177 -1.51106 -1.49780 -1.49176 -1.48030 -1.47172 -1.38972 -1.34843 -1.33064 -1.32032 -1.28799 -1.25097 -1.22663 -1.20686 -1.19637 -1.14725 -1.12921 -1.11275 -1.10022 -1.08262 -1.06582 -1.05202 -1.03617 -1.03010 -1.02865 -1.00400 -0.98151 -0.95979 -0.94889 -0.92814 -0.91417 -0.90465 -0.89529 -0.88877 -0.86252 -0.85435 -0.84281 -0.83213 -0.82209 -0.80851 -0.79825 -0.79540 -0.77311 -0.77087 -0.76430 -0.75679 -0.75378 -0.74538 -0.73906 -0.73255 -0.72563 -0.72143 -0.71230 -0.71171 -0.70850 -0.70809 -0.70306 -0.70217 -0.69712 -0.68822 -0.67037 -0.66811 -0.66686 -0.66540 -0.65841 -0.65728 -0.65371 -0.64272 -0.64214 -0.63981 -0.63780 -0.62720 -0.62481 -0.62127 -0.61593 -0.61091 -0.60940 -0.60488 -0.60199 -0.59475 -0.58212 -0.57131 -0.56306 -0.56115 -0.54434 -0.53307 -0.53117 -0.52254 -0.51162 -0.50425 -0.49324 -0.48372 -0.40813 -0.39542 -0.38503 -0.36904 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.05312 0.06298 0.06573 0.07882 0.08456 0.09416 0.10376 0.11169 0.11512 0.12595 0.12972 0.13746 0.14800 0.15341 0.16960 0.17052 0.17570 0.17790 0.18154 0.18375 0.18549 0.19018 0.19196 0.19941 0.20183 0.20432 0.20763 0.21060 0.21199 0.22342 0.22831 0.22961 0.23609 0.23905 0.24215 0.24447 0.24621 0.25077 0.25356 0.25960 0.26263 0.26427 0.26717 0.27247 0.27439 0.27924 0.28344 0.28798 0.29526 0.29973 0.30944 0.31478 0.31659 0.32250 0.32695 0.33311 0.33854 0.34529 0.34543 0.36254 0.36502 0.37634 0.37798 0.38861 0.39671 0.41971 0.42906 0.43720 0.43965 0.45139 0.46305 0.47119 0.47535 0.51101 0.51579 0.51705 0.53697 0.54239 0.54657 0.55964 0.56428 0.57279 0.57801 0.58159 0.59093 0.60142 0.61269 0.61745 0.62584 0.62867 0.63157 0.64337 0.64997 0.65580 0.65718 0.67255 0.67392 0.67558 0.68050 0.68846 0.69145 0.69478 0.70043 0.70219 0.71004 0.71547 0.72083 0.72869 0.73814 0.74370 0.74787 0.74830 0.75898 0.76447 0.77443 0.77849 0.78623 0.79049 0.79657 0.79762 0.80236 0.80768 0.81031 0.81419 0.82482 0.82759 0.83368 0.83729 0.84499 0.85044 0.85971 0.86520 0.86987 0.87301 0.87556 0.87954 0.88156 0.89094 0.89323 0.89606 0.90439 0.90627 0.91176 0.91752 0.93043 0.93400 0.93676 0.94342 0.94682 0.95132 0.95170 0.95947 0.96932 0.97455 0.98121 0.99112 1.00320 1.00734 1.00917 1.01153 1.01826 1.02352 1.02429 1.02693 1.03197 1.04121 1.04263 1.04450 1.04855 1.05369 1.05699 1.05840 1.06586 1.06697 1.06731 1.07121 1.08205 1.08730 1.09094 1.09436 1.09518 1.09950 1.10527 1.10730 1.10783 1.11088 1.11209 1.12104 1.12229 1.12518 1.12813 1.13327 1.13863 1.14196 1.15270 1.15526 1.16485 1.16948 1.17756 1.18717 1.18880 1.19149 1.19699 1.20394 1.21888 1.22934 1.23761 1.24865 1.25669 1.27008 1.27350 1.27570 1.29293 1.29596 1.30232 1.30881 1.31672 1.32238 1.33018 1.33414 1.33898 1.35713 1.35908 1.37512 1.38323 1.39562 1.39993 1.42232 1.42868 1.43572 1.43890 1.45203 1.45955 1.46457 1.47059 1.47319 1.48125 1.50008 1.50156 1.50917 1.51911 1.52140 1.53674 1.55579 1.56159 1.57075 1.58373 1.58477 1.59360 1.59899 1.62146 1.62762 1.63898 1.64782 1.65861 1.66851 1.67684 1.67896 1.68374 1.69752 1.70022 1.71835 1.72157 1.73174 1.74614 1.75558 1.77357 1.78150 1.79217 1.79896 1.81366 1.82712 1.83857 1.85917 1.88230 1.89065 1.89660 1.90662 1.92342 1.93414 1.94603 1.95780 1.96506 1.97210 1.97460 1.98100 1.99072 1.99526 2.01395 2.02168 2.02259 2.02774 2.03463 2.03715 2.04753 2.05399 2.06528 2.06738 2.06854 2.07568 2.08091 2.08820 2.10089 2.10321 2.11038 2.11596 2.12762 2.12862 2.13472 2.13706 2.14246 2.15091 2.15893 2.16225 2.16661 2.16991 2.17168 2.19442 2.19493 2.20297 2.21231 2.22018 2.22956 2.23139 2.24160 2.24508 2.24835 2.26930 2.27737 2.27882 2.29187 2.30489 2.31533 2.31941 2.32430 2.32560 2.33296 2.34384 2.35674 2.36524 2.37212 2.37276 2.38608 2.38983 2.39742 2.42002 2.42648 2.43216 2.44442 2.44725 2.45205 2.45674 2.46229 2.47130 2.48831 2.49556 2.50097 2.51007 2.51577 2.52672 2.54146 2.55207 2.55985 2.56296 2.56846 2.58185 2.58374 2.58595 2.58941 2.59630 2.60682 2.61239 2.61813 2.62351 2.62670 2.63478 2.64262 2.64499 2.66496 2.67213 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7520.3712 52955.5204 56316.7306 0.99998 0.00282 -0.00485 -0.00277 0.99996 0.00861 0.00487 -0.00859 0.99995 1 0.01152 0.00164 0.00154 0.23998 0.03408 0.03205 13.01 14.16 18.96 22.73 40.74 47.96 53.12 71.99 78.75 87.16 110.32 118.45 139.46 160.59 170.08 188.10 204.36 231.98 242.97 261.01 277.37 300.51 315.20 335.04 340.76 350.51 357.73 379.49 382.75 426.75 449.99 463.09 476.56 484.14 509.80 513.38 515.88 550.21 573.64 606.91 619.90 664.97 677.55 689.30 705.77 714.01 727.50 734.82 758.47 786.14 807.47 842.12 867.94 918.12 927.81 956.92 980.05 1011.95 1017.11 1070.12 1112.40 1114.67 1166.61 1185.49 1199.62 1205.18 1219.84 1223.02 1240.07 1255.30 1259.17 1285.32 1286.00 1295.21 1340.19 1361.32 1401.71 1412.92 1424.58 1442.25 1455.35 1460.30 1474.39 1510.86 1514.70 1530.82 1556.64 1557.88 1580.82 1611.08 1611.95 1613.22 1633.16 1644.18 1667.59 1684.84 1690.81 1691.89 1709.20 1721.61 1733.01 1740.65 1755.49 1774.08 1779.44 1799.61 1821.88 1829.29 1840.04 1850.86 1895.96 1902.47 1907.96 1948.83 1963.77 1979.48 1989.45 2009.71 2030.88 2056.54 2077.89 2081.32 2093.97 2099.76 2112.63 2120.73 2132.27 2155.81 2166.14 2196.89 2199.74 2204.77 2224.69 2246.79 2256.21 2258.44 2267.32 2276.05 2282.98 2286.38 2287.98 2295.25 2299.51 2325.76 2329.43 2333.18 2345.57 2345.98 2347.44 2350.03 2353.30 2359.26 2361.48 2362.42 2364.40 2368.06 2368.48 2380.73 2392.31 2398.57 2421.75 2524.55 2558.64 2577.76 2592.69 2609.28 2614.52 2724.65 2800.15 2832.72 4584.14 4619.11 4620.26 4634.90 4658.62 4662.56 4677.92 4685.44 4693.73 4700.68 4700.79 4711.36 4721.56 4723.04 4726.46 4729.91 4730.59 4734.52 4757.57 4777.04 4784.34 4792.03 4799.43 4823.48 4829.97 4838.15 4855.66 4863.34 4868.25 4885.91 5031.14 5321.58 5512.80 5705.64 0.638198 0.670928 0.671872 0.567064 -1609.362772 -1609.330042 -1609.329098 -1609.433906 3.515278D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE Cc1cccc(c1)n2c(cn3c2nc4c3c(=O)n(c(=O)n4C)C[C@@H](C)C[NH+]5CCC(CC5)C(=O)N)C C10050109 RHF 6-31G(d) (6D,10F) C1 492.272313 |X|Y|Z| 166.228066 56.325217 36.875643 70.153436 27 6 7 21 6 |36.858105| |12.608815|36.858105| |7.552497|13.675024|36.858105| |5.012723|7.879779|13.782449|36.858105| |4.416980|6.798434|7.934108|13.737693|36.858105| |5.012803|7.912539|6.930199|7.996529|13.797603|36.858105| |7.542603|13.738303|7.986450|6.891203|7.907747|13.738544|36.858105| |3.842695|5.135121|4.556461|5.155539|7.834031|13.302264|7.830932|53.358707| |3.280620|4.096899|3.701145|4.104768|5.624751|7.502447|5.630272|18.456026|36.858105| |2.762081|3.290750|3.008965|3.298155|4.284579|5.273352|4.279616|11.662259|14.205999|36.858105| |2.781256|3.319583|3.034563|3.330124|4.339536|5.354728|4.327706|11.937952|8.708456|13.714163|53.358707| |3.307635|4.144398|3.744651|4.164258|5.745275|7.709020|5.719712|19.274664|8.598125|8.572240|19.484021|36.858105| |3.172505|3.868410|3.555606|3.893846|5.003351|6.049880|4.966717|10.453967|5.385073|5.528300|11.552735|14.352740|53.358707| |2.632573|3.066413|2.849153|3.083734|3.792037|4.369877|3.767342|7.597181|4.631354|5.346228|11.919384|9.201094|19.408648|36.858105| |2.455621|2.840439|2.631466|2.852489|3.534828|4.109635|3.518035|7.680738|5.319081|7.177844|18.599030|8.782830|11.409382|13.837688|36.858105| |2.094142|2.355435|2.204224|2.363584|2.822366|3.168406|2.811599|5.516579|4.085697|5.448368|10.097799|5.349509|7.191386|7.760469|13.534620|36.858105| |1.945175|2.167442|2.032991|2.172279|2.568307|2.861146|2.562664|4.927406|3.887835|5.302613|8.362660|4.414120|5.605752|5.304325|8.096440|15.764761|73.516695| |1.948687|2.160951|2.038832|2.169827|2.526048|2.773751|2.514243|4.562000|3.239896|3.959890|7.001787|4.321198|6.436006|7.059694|8.170415|13.522262|14.910912|53.358707| |2.026401|2.245758|2.126236|2.255881|2.599899|2.831585|2.586773|4.508026|3.040733|3.519147|6.306870|4.321736|7.145553|8.033247|6.904039|7.623765|9.478318|18.607207|36.858105| |1.853130|2.022471|1.929296|2.030375|2.286168|2.447997|2.276468|3.766474|2.555816|2.880540|4.884138|3.438986|5.588292|5.484592|4.811296|5.329147|7.474327|11.472429|15.868765|73.516695| |2.338601|2.642027|2.489691|2.656162|3.111283|3.431461|3.092651|5.474815|3.475004|3.907619|7.429831|5.589505|10.787220|13.915884|7.980130|6.665249|8.333532|10.980819|13.921759|15.104060|53.358707| |2.369318|2.647106|2.523435|2.661961|3.011822|3.233939|2.993964|4.801778|2.979757|3.167234|5.592952|4.546382|8.879347|7.692396|5.093816|4.408226|6.128046|7.010705|7.844791|12.562143|17.717033|36.858105| |1.700317|1.857764|1.766596|1.869991|2.134207|2.302958|2.117400|3.683666|2.687122|3.222180|5.219680|3.282593|4.731189|4.589586|5.198394|7.837283|12.669472|17.806644|7.815304|12.531181|7.045518|3.916845|36.858105| |1.635305|1.756885|1.651959|1.720665|1.940972|2.118773|1.994269|3.356018|2.483842|2.952078|4.599519|2.909608|4.107214|3.792773|4.293635|6.003370|10.897880|10.391540|5.557979|9.454314|5.616244|3.304531|12.372934|36.858105| |1.719106|1.848751|1.722690|1.789833|2.033319|2.251420|2.121925|3.624462|2.732884|3.321127|5.117331|3.137763|4.304474|3.955143|4.727349|6.811485|13.478381|9.947374|5.126206|8.147644|5.525967|3.197995|8.997490|17.619380|0.500000| |1.633342|1.731856|1.619780|1.666162|1.855026|2.029656|1.947619|3.145725|2.274035|2.618461|4.103757|2.714907|3.945939|3.572221|3.752271|4.676998|7.857643|8.237366|5.397404|10.116018|5.546944|3.440050|7.466786|12.434651|0.245608|36.858105| |1.454625|1.554786|1.475803|1.538734|1.718374|1.847565|1.741428|2.882380|2.163564|2.532540|3.785770|2.423714|3.366451|2.976305|3.337365|4.387454|8.528586|6.887923|4.016893|7.128960|4.322134|2.670834|7.746183|12.438049|0.247035|7.473664|36.858105| |1.374430|1.451107|1.371363|1.415409|1.564850|1.686979|1.613874|2.600493|1.962831|2.261267|3.300779|2.142639|2.949972|2.530388|2.800482|3.477403|6.770938|5.169812|3.199542|5.714591|3.618990|2.304811|4.949722|7.461740|0.186622|6.260529|12.649995|53.358707| |1.381095|1.449879|1.365927|1.401983|1.542922|1.667358|1.607766|2.552366|1.904750|2.172587|3.200765|2.107320|2.936154|2.513163|2.722396|3.310643|6.212265|5.038082|3.228772|5.891900|3.650316|2.356000|4.678286|7.140069|0.173591|7.319755|9.312436|25.708277|0.500000| |1.243090|1.308793|1.246899|1.288252|1.412926|1.505260|1.440447|2.291690|1.731373|1.965013|2.828037|1.861118|2.558390|2.152846|2.348730|2.825830|5.465716|4.154485|2.659895|4.822939|3.074198|2.004695|3.863976|4.930581|0.124406|4.393591|7.667524|17.262010|0.259464|36.858105| |1.176707|1.227546|1.166757|1.196576|1.302140|1.388431|1.342505|2.093318|1.582536|1.772657|2.522262|1.678895|2.300153|1.901477|2.053427|2.396712|4.591519|3.457945|2.272030|4.116746|2.694910|1.787473|3.037749|3.786810|0.100149|3.635608|4.966801|10.394680|0.199667|12.516005|36.858105| |1.199193|1.247411|1.179639|1.205661|1.313221|1.408797|1.367838|2.130022|1.628748|1.827214|2.560440|1.693723|2.289098|1.877118|2.052181|2.378978|4.638768|3.322697|2.162812|3.833721|2.609249|1.721323|2.828682|3.532788|0.099196|3.335755|4.344082|8.762847|0.164369|7.510148|12.413724|36.858105| |1.320742|1.374633|1.288774|1.313942|1.439875|1.562795|1.521048|2.385965|1.829242|2.074350|2.918661|1.910562|2.573209|2.127292|2.353633|2.759084|5.426653|3.815602|2.443260|4.266849|2.938361|1.910838|3.217004|4.250700|0.125438|4.004292|4.947122|10.404396|0.199660|6.536272|7.600422|12.414704|36.858105| |1.413643|1.488469|1.396684|1.435750|1.590999|1.731204|1.664000|2.685713|2.064470|2.394501|3.413380|2.186948|2.944168|2.492198|2.822959|3.467823|7.035760|4.809501|2.941637|5.064552|3.444559|2.180421|4.246899|6.086607|0.185575|5.079594|7.588711|17.250474|0.258926|7.711964|6.525319|7.502211|12.512785|36.858105| |1.132606|1.168203|1.104056|1.121378|1.211659|1.297956|1.271405|1.941047|1.478382|1.634719|2.279897|1.529108|2.069676|1.673730|1.804284|2.040453|3.908126|2.843558|1.895408|3.376904|2.325039|1.558718|2.351415|2.848594|0.080055|2.810657|3.291874|6.026402|0.122627|4.936404|7.644714|12.469835|7.643733|4.933521|36.858105| |1.133801|1.163931|1.097683|1.110301|1.195652|1.282628|1.263422|1.908878|1.442030|1.585549|2.227211|1.506296|2.053779|1.657928|1.767166|1.982248|3.736027|2.792011|1.888151|3.392721|2.320243|1.568773|2.289507|2.781735|0.077488|2.857496|3.122971|5.640814|0.121978|4.423475|6.526090|8.060439|6.520482|4.419531|15.887601|73.516695| |1.073788|1.106062|1.048248|1.064661|1.146862|1.223803|1.199138|1.822658|1.395530|1.534025|2.115609|1.422422|1.913039|1.532679|1.653248|1.850088|3.555408|2.545544|1.701893|3.016138|2.111551|1.421296|2.078423|2.442550|0.069145|2.375456|2.789195|4.802750|0.095385|3.951537|5.448507|7.788645|5.451875|3.951600|14.185159|15.110312|53.358707| |3.289506|4.036135|3.704299|4.036237|5.144894|6.221011|5.164919|10.224746|12.756610|7.418660|7.085942|5.233105|5.257355|3.402413|3.771840|3.149024|5.524321|3.542334|2.456634|3.786064|3.721269|2.433037|2.248505|2.118650|0.064331|1.955088|1.894412|2.382083|0.047142|1.567523|1.450382|1.502993|1.671811|1.853403|1.377887|2.385098|1.788429|36.858105| |17.552011|8.853094|6.664920|4.581918|3.966995|4.319457|5.922823|4.637278|2.890538|2.501691|3.504345|3.058320|4.147362|2.544812|2.331271|2.002294|3.286466|2.577925|1.996911|3.279766|3.142939|2.395544|1.657200|1.592118|0.046127|1.605222|1.416733|1.822348|0.037525|1.213599|1.149857|1.166066|1.280327|1.367369|1.103850|1.971208|1.422251|2.834947|0.500000| |17.585409|8.833762|5.568093|4.165951|3.951876|4.743731|7.236692|5.256380|3.357193|2.858325|3.907722|3.365704|4.359995|2.691794|2.534710|2.167448|3.588534|2.734494|2.077190|3.368251|3.246478|2.389632|1.751545|1.702784|0.050058|1.707776|1.507807|1.949175|0.040066|1.288653|1.223351|1.252483|1.388097|1.482181|1.184543|2.111672|1.526059|3.339557|0.301887|0.500000| |17.557055|8.846666|6.772774|4.610925|3.960050|4.283152|5.838453|4.592568|3.001142|2.531936|3.398582|2.892273|3.733881|2.326959|2.207371|1.911056|3.194293|2.419067|1.831824|2.995140|2.833690|2.097824|1.569113|1.513958|0.044187|1.506215|1.360048|1.757001|0.035948|1.174668|1.115960|1.139910|1.249617|1.330932|1.080140|1.919299|1.400298|3.130335|0.302249|0.301750|0.500000| |7.021076|8.911922|17.705150|8.950641|5.650048|4.980694|5.666636|4.932483|3.072081|2.573896|3.528633|3.101113|4.090729|2.482587|2.299584|1.965954|3.244773|2.505166|1.923419|3.143433|3.024105|2.279610|1.615049|1.517797|0.043753|1.496090|1.366444|1.737360|0.035379|1.167522|1.097279|1.108233|1.204726|1.297323|1.042147|1.844957|1.349999|3.121605|0.188045|0.140663|0.194163|0.500000| |4.092727|5.623214|8.931479|17.727457|8.923404|5.672854|4.962257|5.682420|3.499271|2.911246|3.996340|3.542579|4.606814|2.771932|2.575047|2.177002|3.579005|2.749562|2.101962|3.399994|3.323820|2.468836|1.762096|1.615957|0.046374|1.562969|1.458589|1.825969|0.036863|1.229800|1.142573|1.147565|1.242187|1.354571|1.068648|1.879474|1.384404|3.488389|0.107880|0.095918|0.108815|0.216180|0.500000| |3.536128|4.914280|5.635844|8.868958|17.730716|8.930585|5.635581|9.794334|5.574211|4.420983|6.097142|5.696540|6.735652|3.876804|3.669201|2.941746|4.767000|3.566745|2.676543|4.168982|4.325381|3.030993|2.216919|1.985192|0.057520|1.873532|1.766176|2.169950|0.043420|1.443917|1.322371|1.328951|1.451132|1.613568|1.220158|2.132505|1.573058|4.993331|0.090365|0.090086|0.090189|0.124066|0.213867|0.500000| |6.957231|8.895566|5.655421|4.961736|5.647268|8.949326|17.717431|9.859932|5.615577|4.432716|6.095759|5.685689|6.678725|3.843997|3.650033|2.929242|4.760546|3.544176|2.657505|4.144025|4.288935|3.004690|2.188649|2.094007|0.062528|2.057060|1.814504|2.303702|0.046989|1.499396|1.402034|1.436463|1.611426|1.759504|1.336578|2.366114|1.711383|5.045280|0.153291|0.220862|0.150004|0.124145|0.107686|0.124396|0.500000| |2.434707|2.816563|2.603034|2.821790|3.511424|4.111440|3.507588|7.920067|8.683320|17.862643|12.013891|5.897590|5.930279|4.475872|6.135767|5.381446|10.358689|5.248797|3.296452|4.866871|4.739610|2.829686|3.266413|3.044821|0.096843|2.634512|2.658854|3.244016|0.062773|2.071146|1.864407|1.941106|2.209917|2.569908|1.723867|2.945993|2.209412|6.314095|0.061643|0.070229|0.062966|0.063142|0.070693|0.101402|0.101587|0.500000| |2.153388|2.401611|2.342122|2.499625|2.794044|2.900933|2.662010|4.249661|2.691148|2.854447|4.886767|3.883685|7.075432|5.989165|4.374764|3.974638|5.673328|6.451754|7.030613|12.617089|12.391263|17.644285|3.805162|3.136268|0.082496|3.231052|2.604477|3.037197|0.063109|1.970847|1.749348|1.667628|1.826428|2.081113|1.509525|2.696036|1.878054|2.238712|0.060671|0.059701|0.053625|0.059433|0.065679|0.079595|0.073110|0.071944|0.500000| |2.292666|2.494989|2.348413|2.420109|2.682385|2.909992|2.787889|4.264961|2.698210|2.861213|4.903362|3.900806|7.115015|6.007665|4.383855|3.976429|5.679643|6.433061|6.993404|12.533996|12.381549|17.637897|3.757939|3.321134|0.088645|3.645256|2.671068|3.188141|0.067623|2.029046|1.823992|1.751911|1.951626|2.206091|1.595984|2.880779|1.970034|2.243422|0.064903|0.064955|0.056421|0.059566|0.062343|0.073798|0.079195|0.072065|0.300974|0.500000| |2.685364|3.052556|2.911412|3.075318|3.485232|3.743369|3.457815|5.388995|3.197635|3.283176|5.778839|5.077974|10.695765|7.561346|4.892599|3.991477|5.670372|5.858586|5.765818|9.049199|12.558671|17.698868|3.334974|2.883376|0.079297|2.959665|2.377995|2.839800|0.058958|1.829868|1.648831|1.603890|1.777613|2.007737|1.462501|2.613484|1.827999|2.601692|0.075906|0.074474|0.065116|0.072311|0.078334|0.095913|0.094790|0.079661|0.299290|0.299322|0.500000| |1.624993|1.768784|1.695426|1.794065|2.024934|2.155173|1.989940|3.371633|2.418467|2.816243|4.535261|2.975045|4.400766|4.170154|4.370997|5.783053|9.166443|12.593128|7.737434|15.026502|6.813075|4.015006|17.679769|8.785354|0.175487|7.020629|6.741842|6.149847|0.122546|3.718175|2.935544|2.657132|2.934359|3.714790|2.240408|3.914775|2.697232|2.049178|0.044352|0.046248|0.041693|0.043323|0.047297|0.058476|0.056697|0.078180|0.112818|0.108055|0.092853|0.500000| |1.644882|1.806533|1.730885|1.847648|2.116543|2.261826|2.056735|3.636220|2.712146|3.290260|5.170072|3.185438|4.445514|4.183558|4.951363|7.516031|14.010946|12.642426|5.961250|9.457596|6.029636|3.427619|17.635194|8.835993|0.210505|5.492539|7.473348|6.475115|0.118449|3.878361|3.007476|2.822072|3.148912|4.190619|2.322795|3.952482|2.831108|2.285929|0.044310|0.046867|0.042432|0.043964|0.048608|0.061775|0.058623|0.094931|0.093937|0.089519|0.083590|0.301205|0.500000| |1.537397|1.627235|1.535715|1.582363|1.747798|1.886889|1.809374|2.882725|2.068671|2.346195|3.657612|2.467878|3.628052|3.235673|3.298900|3.987811|6.663352|7.120113|5.023116|10.359923|5.157506|3.335816|6.658186|8.739599|0.172701|17.545545|6.855624|7.822168|0.189621|4.395720|3.614968|3.169877|3.605308|4.376413|2.704121|4.924642|3.118477|1.795176|0.042229|0.044361|0.039490|0.039623|0.041525|0.049203|0.052581|0.065258|0.089736|0.098857|0.079012|0.203347|0.140421|0.500000| |1.585492|1.663130|1.547608|1.578384|1.744931|1.916021|1.861947|2.947226|2.149608|2.453299|3.751618|2.494045|3.565608|3.123835|3.298599|3.970674|6.925690|6.372363|4.232675|7.759722|4.679203|2.984493|5.432967|8.689372|0.212487|17.496934|6.586619|9.193806|0.246098|4.605470|4.010029|3.746548|4.704051|5.730695|3.176298|5.855641|3.567588|1.873919|0.043240|0.046326|0.040758|0.039852|0.041095|0.048622|0.055030|0.069084|0.077493|0.088517|0.073204|0.140601|0.122488|0.299669|0.500000| |1.777190|1.887088|1.752456|1.796735|2.006748|2.217264|2.135843|3.442817|2.441831|2.799963|4.511303|3.027360|4.511572|4.163503|4.218058|5.063979|7.954060|9.191797|6.568467|12.129383|6.693642|4.098807|6.924909|8.809605|0.209630|17.628352|5.472754|6.378220|0.145705|3.525789|3.032943|2.860460|3.411947|4.151703|2.480930|4.506685|2.906946|2.071007|0.048644|0.051773|0.045139|0.044773|0.046522|0.055935|0.063003|0.076645|0.103396|0.124150|0.096097|0.181091|0.139990|0.303835|0.304707|0.500000| |1.389653|1.483946|1.418322|1.481064|1.643725|1.749111|1.648232|2.696158|2.000185|2.305125|3.461660|2.262147|3.188436|2.800838|3.042455|3.865757|7.183612|6.308431|3.903757|7.287049|4.170385|2.639509|7.088860|8.817759|0.174062|6.755075|17.597608|12.446782|0.220168|7.445208|4.787600|3.920966|4.165553|5.600777|3.070372|5.247381|3.567219|1.760061|0.037800|0.039811|0.036126|0.036629|0.039217|0.047050|0.047371|0.066384|0.072950|0.073528|0.064779|0.201471|0.187898|0.202180|0.160517|0.140377|0.500000| |1.442079|1.549862|1.477153|1.549683|1.738337|1.861367|1.739287|2.922895|2.229075|2.636272|3.870395|2.439231|3.325426|2.918727|3.360907|4.470510|9.272491|6.562895|3.729847|6.409552|4.118576|2.528342|7.073907|8.779406|0.215538|5.461408|17.617411|12.438757|0.182238|6.929086|4.589204|4.198643|4.651006|7.138781|3.157437|5.182701|3.746319|1.959006|0.038829|0.041409|0.037590|0.037939|0.040890|0.049979|0.050123|0.078326|0.068760|0.068967|0.063357|0.164457|0.226952|0.139532|0.137341|0.122823|0.301263|0.500000| |1.218038|1.283371|1.227913|1.270732|1.389995|1.472336|1.406881|2.229390|1.667721|1.881045|2.733678|1.817045|2.526629|2.129825|2.286639|2.733108|5.158657|4.130561|2.700562|5.017312|3.092803|2.037965|3.895093|4.753950|0.114154|4.400777|7.226739|12.378409|0.224054|17.630078|8.815001|5.477518|4.899817|5.623356|4.104726|6.861879|4.606846|1.506974|0.033169|0.034949|0.031943|0.031997|0.033800|0.039533|0.040494|0.054520|0.056263|0.057427|0.051319|0.109042|0.107317|0.130341|0.123683|0.097931|0.235363|0.173501|0.500000| |1.230613|1.301198|1.243998|1.291229|1.419870|1.507183|1.433495|2.302353|1.755756|2.001425|2.849572|1.860909|2.532794|2.124974|2.347696|2.836349|5.615173|4.074127|2.570619|4.588348|2.994415|1.941183|3.777772|4.571729|0.118795|3.845013|7.082328|12.439106|0.182247|17.603625|8.758883|6.729098|5.772029|7.072471|4.472907|6.857810|5.195876|1.595554|0.033266|0.035349|0.032387|0.032330|0.034308|0.040505|0.041302|0.059203|0.053177|0.053926|0.049512|0.099442|0.110482|0.105236|0.108459|0.088414|0.185825|0.210922|0.301519|0.500000| |1.177211|1.222713|1.159855|1.184675|1.284742|1.371822|1.333796|2.057983|1.542727|1.717548|2.461919|1.653716|2.284602|1.885974|2.010067|2.323036|4.364069|3.397851|2.274577|4.174246|2.699102|1.807849|2.951574|3.703334|0.096726|3.788197|4.600562|9.316724|0.209748|8.854010|17.565968|8.870908|6.800365|5.686831|7.250622|13.162013|6.788978|1.411778|0.032066|0.034046|0.030960|0.030347|0.031397|0.036101|0.038768|0.049718|0.049074|0.051785|0.046200|0.080386|0.079110|0.106520|0.119624|0.087647|0.126163|0.112792|0.214754|0.172750|0.500000| |1.106799|1.153973|1.102126|1.131600|1.226683|1.299525|1.255482|1.947896|1.472372|1.637989|2.318875|1.552803|2.126402|1.744305|1.873098|2.161740|4.125323|3.108275|2.064402|3.753891|2.469656|1.652927|2.704273|3.219590|0.084939|3.084818|4.141227|7.594468|0.145630|8.980185|17.567798|8.772403|5.510495|4.896944|6.808114|10.203983|7.419265|1.358554|0.030077|0.031856|0.029250|0.028879|0.030135|0.034674|0.036255|0.047807|0.045258|0.046685|0.042522|0.073617|0.075366|0.086770|0.091973|0.073119|0.115366|0.110167|0.213625|0.213620|0.303861|0.500000| |1.179331|1.230768|1.167586|1.197537|1.306217|1.396710|1.349853|2.115670|1.631518|1.834106|2.542589|1.673276|2.242885|1.832900|2.021053|2.343932|4.641608|3.221873|2.080187|3.654547|2.523507|1.659157|2.735906|3.315913|0.094150|3.018592|4.111312|7.646254|0.135382|6.737019|8.841869|17.522712|8.842710|6.732560|8.793527|10.441281|10.275027|1.513623|0.031764|0.034136|0.031228|0.030463|0.031721|0.036852|0.039251|0.054612|0.044779|0.046491|0.043137|0.070945|0.077704|0.079620|0.091204|0.072891|0.102857|0.116852|0.138529|0.196456|0.174171|0.215124|0.500000| |1.332213|1.378622|1.288160|1.306372|1.425992|1.551698|1.521601|2.354973|1.785956|2.008692|2.854475|1.890358|2.571231|2.121890|2.310277|2.673210|5.116621|3.759643|2.458384|4.341265|2.961209|1.944629|3.126215|4.165453|0.120826|4.242066|4.583971|9.324327|0.209747|5.695130|6.800748|8.871607|17.564916|8.850992|7.249991|13.147238|6.792805|1.628938|0.036009|0.039002|0.034932|0.033500|0.034257|0.039720|0.044936|0.058677|0.051429|0.055852|0.050137|0.080353|0.082641|0.106181|0.146664|0.100615|0.110367|0.114050|0.127732|0.132597|0.198826|0.139090|0.174182|0.500000| |1.335149|1.386097|1.295220|1.316928|1.442779|1.571774|1.535350|2.400967|1.859869|2.105535|2.914192|1.902815|2.531431|2.070039|2.306700|2.665331|5.295256|3.582800|2.295599|3.953320|2.811858|1.828794|2.927907|3.731391|0.114220|3.485467|4.120748|7.599325|0.145607|4.902571|5.510977|8.775377|17.568072|8.984819|6.810185|10.196777|7.429963|1.714431|0.035798|0.039107|0.035190|0.033623|0.034519|0.040280|0.045357|0.062832|0.048320|0.051684|0.047729|0.073564|0.080441|0.086463|0.111486|0.085631|0.096993|0.112049|0.107892|0.129449|0.139104|0.123101|0.215172|0.303922|0.500000| |1.394591|1.476495|1.391932|1.439209|1.600113|1.733058|1.652250|2.700980|2.104399|2.458895|3.448470|2.185071|2.903710|2.447868|2.818969|3.484358|7.354475|4.683975|2.821490|4.794789|3.332207|2.098882|4.132900|5.444985|0.168086|4.279117|7.025961|12.449097|0.182171|7.081098|5.769424|6.725946|8.753871|17.604907|4.471321|6.853840|5.196249|1.898680|0.037331|0.040471|0.036598|0.035883|0.037808|0.045355|0.048280|0.074572|0.055964|0.058171|0.054027|0.099385|0.119895|0.104922|0.125570|0.100537|0.146219|0.218839|0.144913|0.215155|0.132543|0.129423|0.196389|0.172677|0.213439|0.500000| |1.531443|1.614456|1.502515|1.540883|1.717498|1.891178|1.821625|2.963919|2.279464|2.674222|3.844356|2.435569|3.268893|2.792889|3.207674|3.985680|8.114789|5.432639|3.264125|5.499393|3.825386|2.382776|4.631158|6.984043|0.244222|5.795097|7.096137|12.342399|0.222875|5.619867|4.894059|5.479301|8.827806|17.672851|4.106312|6.858940|4.612142|2.021756|0.041039|0.044849|0.039854|0.038581|0.040118|0.048169|0.053963|0.079661|0.062221|0.067146|0.060916|0.108646|0.122937|0.128928|0.185694|0.134300|0.143512|0.180527|0.126678|0.144756|0.127535|0.107809|0.138650|0.214752|0.214282|0.302021|0.500000| |1.066971|1.102506|1.047215|1.066787|1.151025|1.225703|1.196328|1.829339|1.408676|1.551839|2.126768|1.423918|1.905186|1.525353|1.655528|1.856589|3.601172|2.533508|1.682539|2.965825|2.090100|1.401517|2.071283|2.407713|0.068479|2.291296|2.774377|4.689245|0.090475|3.903682|5.105090|7.243829|5.108299|3.904128|9.237001|10.788517|26.114942|1.330222|0.028778|0.030892|0.028442|0.027507|0.028343|0.032311|0.034766|0.045886|0.037861|0.039409|0.036854|0.054619|0.058315|0.061251|0.069188|0.057332|0.072150|0.077794|0.092209|0.109561|0.123248|0.145694|0.232707|0.123311|0.145902|0.109580|0.092334|0.500000| |1.034831|1.061385|1.006085|1.018721|1.092658|1.164485|1.145807|1.724248|1.316577|1.436712|1.978993|1.339929|1.804383|1.436421|1.538679|1.703765|3.246144|2.344799|1.583827|2.813350|1.979247|1.342381|1.893565|2.199729|0.062170|2.170285|2.462354|4.130932|0.083562|3.336437|4.420808|5.668657|4.422031|3.336173|9.441996|13.635838|26.013568|1.245346|0.028013|0.030021|0.027592|0.026514|0.027058|0.030515|0.033370|0.042042|0.036208|0.038062|0.035351|0.050441|0.052408|0.058431|0.066427|0.054820|0.064904|0.067167|0.081932|0.089072|0.118421|0.124584|0.150348|0.118455|0.124688|0.089067|0.082004|0.309796|0.500000| |3.759822|4.536859|3.961533|4.070764|4.912474|6.211924|5.830090|9.066308|8.899159|5.835655|6.127742|4.707809|4.923121|3.153898|3.398764|2.862514|4.991661|3.288302|2.310535|3.595783|3.507734|2.334403|2.097753|2.006696|0.060895|1.881851|1.793234|2.280687|0.045453|1.501344|1.401255|1.456698|1.623321|1.779653|1.346153|2.341098|1.748340|17.571133|0.087315|0.108096|0.100109|0.092646|0.095936|0.124115|0.164180|0.140969|0.059301|0.060613|0.069746|0.053398|0.058548|0.048000|0.050537|0.055597|0.046333|0.051059|0.040078|0.042207|0.038070|0.036442|0.040579|0.044223|0.046396|0.050238|0.054029|0.036000|0.033949|0.500000| |2.815580|3.303562|3.068891|3.304116|4.024865|4.626462|4.033590|7.597018|9.000136|7.020237|6.441332|4.403914|4.588304|3.109321|3.553967|3.094868|5.624146|3.454334|2.346870|3.634704|3.465012|2.246673|2.233558|2.124933|0.065006|1.937993|1.922522|2.429948|0.047748|1.603438|1.485501|1.551096|1.724807|1.911679|1.418953|2.441471|1.850119|17.602823|0.068524|0.080145|0.075423|0.074032|0.081964|0.111900|0.112688|0.191928|0.057858|0.057955|0.065547|0.056177|0.063814|0.049313|0.051868|0.056372|0.049331|0.055758|0.042558|0.045630|0.039934|0.038679|0.043676|0.046323|0.049482|0.054929|0.057768|0.038399|0.035722|0.301082|0.500000| 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