Version2.0 2020-07-17T09:30:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c2c1cc(c(n2)O)[C@@H](c3nnnn3Cc4ccccc4)[NH+]5CCc6ccccc6C5)C C08671191 RHF 6-31G(d) (6D,7F) Cc1ccc(c2c1cc(c(n2)O)[C@@H](c3nnnn3Cc4ccccc4)[NH+]5CCc6ccccc6C5)C C01[X(C29H29N6O1)] 189 C1 598 Cc1ccc(c2c1cc(c(n2)O)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCc2c(C1)cccc2)C Cc1ccc(c2c1cc(c(n2)O)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCc2c(C1)cccc2)C Cc1ccc(C)c2nc(O)c(cc12)[C@H]([NH+]3CCc4ccccc4C3)c5nnnn5Cc6ccccc6 InChIKey=UZWGEFSDVVYUBB-MHZLTWQESA-O InChI=1S/C29H28N6O/c1-19-12-13-20(2)26-24(19)16-25(29(36)30-26)27(34-15-14-22-10-6-7-11-23(22)18-34)28-31-32-33-35(28)17-21-8-4-3-5-9-21/h3-13,16,27H,14-15,17-18H2,1-2H3,(H,30,36)/p+1/t27-/m0/s1 InChI=1/C29H28N6O/c1-19-12-13-20(2)26-24(19)16-25(29(36)30-26)27(34-15-14-22-10-6-7-11-23(22)18-34)28-31-32-33-35(28)17-21-8-4-3-5-9-21/h3-13,16,27H,14-15,17-18H2,1-2H3,(H,30,36)/p+1/t27-/m0/s1/fC29H29N6O/h34,36H/q+1 Cc1ccc(c2c1cc(c(n2)O)[C@@H](c3nnnn3Cc4ccccc4)[NH+]5CCc6ccccc6C5)C C01[X(C29H29N6O1)] 189 C01 598 Cc1ccc(c2c1cc(c(n2)O)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCc2c(C1)cccc2)C O[C]1[N][C]2[C](=[CH][CH]=[C]([C]2[CH][C]1[C@@H]([C]1[N][N][N][N]1C[C]1[CH][CH][CH][CH][CH]1)[NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1)C)C CC1=CC=C(C)[C]2[N][C](O)[C]([CH][C]12)[C@@H]([C]3[N][N][N]N3C[C]4[CH][CH][CH][CH][CH]4)[NH]5CC[C]6[CH][CH][CH][CH][C]6C5 InChIKey=XEBWZZNWSCDDBX-MHZLTWQESA-N InChI=1S/C29H29N6O/c1-19-12-13-20(2)26-24(19)16-25(29(36)30-26)27(34-15-14-22-10-6-7-11-23(22)18-34)28-31-32-33-35(28)17-21-8-4-3-5-9-21/h3-13,16,27,34H,14-15,17-18H2,1-2H3,(H,30,36)/t27-/m0/s1 InChI=1/C29H29N6O/c1-19-12-13-20(2)26-24(19)16-25(29(36)30-26)27(34-15-14-22-10-6-7-11-23(22)18-34)28-31-32-33-35(28)17-21-8-4-3-5-9-21/h3-13,16,27,34H,14-15,17-18H2,1-2H3,(H,30,36)/t27-/m0/s1/f/h36H 3827.5810517330 -1516.4182539 1-A 17272.7116 126 472 598 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72515 -15.83421 -15.79204 -15.76507 -15.74961 -15.71637 -15.67045 -11.46378 -11.46300 -11.45333 -11.42438 -11.42375 -11.40546 -11.38845 -11.38491 -11.37927 -11.36680 -11.36503 -11.36109 -11.35235 -11.34827 -11.34538 -11.34342 -11.34031 -11.33923 -11.33736 -11.33674 -11.33618 -11.33343 -11.33267 -11.33125 -11.32961 -11.32808 -11.32038 -11.31491 -11.29784 -1.63260 -1.55821 -1.48150 -1.39230 -1.37913 -1.33501 -1.28130 -1.26376 -1.25370 -1.24290 -1.20279 -1.18465 -1.16727 -1.16019 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955.9572 964.0908 989.5538 997.5359 1025.4611 1046.5002 1061.7699 1063.7688 1073.5434 1084.6693 1089.6168 1096.5517 1098.8606 1108.0780 1112.1488 1112.5628 1129.3307 1131.3782 1140.0414 1142.8089 1144.4803 1147.3339 1163.0593 1169.3317 1173.6325 1180.7154 1186.3269 1196.2314 1212.2013 1215.7218 1218.2652 1238.5875 1244.2376 1259.7530 1278.0697 1298.2456 1302.3437 1305.4966 1307.2125 1312.6778 1317.7639 1328.7855 1340.8928 1356.2489 1366.1400 1376.8603 1404.4148 1410.1193 1426.3823 1435.4469 1449.2810 1453.1958 1473.1968 1477.8612 1484.6569 1490.9902 1512.1709 1522.3347 1526.1167 1534.2149 1566.3229 1571.1107 1574.4089 1579.3731 1583.9856 1598.1443 1615.1770 1622.9165 1625.3191 1627.2323 1631.1998 1631.7745 1633.7203 1636.6130 1643.8759 1645.7139 1653.2480 1663.2006 1671.3309 1671.9296 1676.8638 1684.7523 1742.6247 1786.4857 1787.2274 1799.6701 1809.2918 1812.0474 1813.1168 1842.7622 3204.7494 3214.6430 3219.2232 3256.0598 3266.7794 3274.4380 3277.7695 3278.6617 3284.8577 3297.4922 3304.3663 3329.3313 3333.2050 3349.3504 3354.6133 3358.4698 3358.5198 3362.6403 3366.8260 3370.4872 3376.6912 3387.3359 3387.4708 3387.6710 3399.0676 3400.7145 3402.5135 3643.7305 4044.1136 6.1566 5.0585 5.1644 4.0987 4.2795 4.0696 4.5709 6.0470 7.6959 5.7119 4.2529 2.8716 3.5103 4.2069 3.8315 1.1056 3.8532 1.0649 5.1139 5.4795 3.5219 4.7672 4.8403 2.6048 4.6443 3.2889 4.1594 4.6950 3.9632 3.8320 3.4784 3.7240 4.3804 2.9418 2.8308 3.2003 4.0032 3.3031 3.0155 3.3353 4.0386 3.4560 3.3719 3.4229 3.0589 2.1014 5.0472 4.2765 4.6903 4.1560 6.2518 3.2559 6.1490 3.6923 7.3290 3.2743 3.1051 4.0299 4.3962 3.4379 5.0299 7.0741 1.3181 2.5631 6.4050 3.3562 2.9169 3.2943 4.4840 1.2458 3.0654 1.2519 1.9936 1.7971 1.6553 1.8640 1.8776 1.6255 2.5108 1.3733 5.9405 2.2072 1.8140 1.6771 1.3877 2.2268 2.3033 3.2516 1.3510 1.3467 1.8736 4.7508 2.5679 3.1703 1.5388 1.5073 1.8019 2.0726 3.5238 2.9101 2.7089 1.8601 2.6081 2.9018 3.5784 1.7495 1.5974 1.1825 1.3832 1.6408 2.7235 1.7134 1.9416 1.8711 2.1200 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0.6664 1.6505 0.6856 1.1502 1.0536 1.0256 1.2027 1.2471 1.0838 1.7049 0.9520 4.1554 1.5637 1.2905 1.2133 1.0113 1.6239 1.7308 2.4523 1.0345 1.0363 1.4459 3.6846 2.0466 2.5540 1.2488 1.2381 1.4942 1.7474 3.0507 2.5341 2.3688 1.6813 2.3790 2.7133 3.4439 1.7373 1.5963 1.1874 1.3926 1.6658 2.7865 1.7824 2.0568 2.0278 2.3311 1.5648 2.1898 1.7114 2.2806 1.7610 2.2222 3.5383 7.7902 2.8151 1.9039 1.7097 2.1295 1.9139 1.9720 2.1882 1.9413 1.8180 1.8654 1.8883 4.5374 8.6340 2.1016 3.2301 1.6263 3.3659 1.8461 1.8696 1.6422 1.8690 1.7403 1.7688 4.8603 1.8673 3.6685 3.7912 5.4762 7.2749 14.5401 9.7192 11.8549 12.8577 9.8977 10.4419 10.4803 14.6374 6.2961 6.5063 6.3282 6.8869 6.8750 6.7138 6.9786 6.7479 6.7875 7.0727 7.0730 7.1078 7.2430 7.3031 7.3415 7.2435 7.2543 7.2644 7.2866 7.3012 7.3330 7.4025 7.3933 7.4070 7.4809 7.4437 7.4925 8.4372 10.2671 0.1989 0.3335 0.1448 0.9083 0.3270 0.1037 1.6853 0.6524 6.7764 0.8416 2.1794 0.1359 1.3787 0.2317 3.3434 0.2971 1.7462 0.1753 4.5501 0.6063 3.8683 1.2819 2.1834 7.6829 5.3998 0.5784 2.8403 1.9012 2.1140 0.7231 3.5389 1.4210 3.4112 0.3032 1.6426 5.7224 3.3602 12.2069 1.9080 19.0753 10.2793 3.3063 31.5276 10.8320 28.2116 48.3490 0.1326 21.2161 6.5156 0.7197 0.5153 7.1957 14.4616 3.3684 4.3394 1.8733 41.3844 39.2830 6.6454 50.9757 24.0866 0.8670 49.0861 5.3545 19.9493 1.3029 8.1322 12.2494 15.3682 19.3045 22.8166 1.0640 17.2374 33.0863 7.7583 0.7133 9.8523 0.8170 23.1395 0.8574 2.8586 5.3960 40.7875 8.9910 0.6749 27.0861 0.8767 8.8094 0.0183 0.2611 23.2089 2.2159 12.8464 12.5082 1.3597 0.9721 2.1891 2.0649 18.8687 9.8399 7.5929 2.3960 10.7184 21.6503 23.5920 39.0799 18.0933 1.3287 1.5190 4.7578 2.8607 206.3335 4.1168 0.4871 0.8192 2.6091 0.6098 0.8310 23.7950 13.7354 15.7078 22.6342 102.2087 49.5184 3.3111 18.9797 10.1255 31.5391 17.7939 0.7098 11.7155 0.1751 1.3079 80.0087 59.0019 17.8712 121.7984 8.8271 6.2330 11.4627 5.3234 12.7784 9.9790 40.2890 2.1878 6.7973 42.5048 18.4402 8.3118 12.7211 43.2033 116.0302 8.4529 2.7336 0.4420 38.3653 0.1687 1.1528 46.8535 416.2998 23.9530 9.0764 28.0164 22.9232 3.2841 9.4692 20.4804 4.4958 6.8726 21.0352 16.8163 1.5853 1.7272 2.2569 6.4576 6.0504 13.2879 1.8765 2.7201 9.6754 3.5572 19.7876 8.1000 16.9279 11.5885 0.6355 11.9573 56.6580 169.5448 0.8489 3.7918 7.7786 0.4377 7.1726 7.0041 1.8165 1.6252 2.4320 0.9248 4.3307 2.8483 1.8073 4.4125 0.5504 0.5124 1.9169 0.3866 1.0933 1.0783 2.4033 1.3373 1.2989 3.1142 2.7320 1.0111 0.6422 1.6446 1.6700 1.3826 1.2288 1.6526 4.7091 0.2336 2.2761 1.3362 5.0123 3.6763 0.4782 2.2943 5.3782 2.1398 2.9745 4.4898 0.5604 1.8984 1.6331 3.6324 5.9614 2.2398 5.1239 0.5175 3.4788 0.6770 24.8946 1.7142 2.4322 2.5439 18.2221 0.7261 1.1989 0.5359 0.7426 5.5870 1.8896 8.2156 0.9112 0.9355 3.6751 0.9319 6.1190 2.1304 2.8215 5.0293 0.3717 8.4952 3.2779 0.8102 5.6679 4.5130 26.1661 1.0484 8.8242 1.1054 0.2494 9.1310 7.5793 21.8904 0.0267 0.1908 9.9377 4.6509 3.0263 8.4852 0.1739 0.2302 0.2239 7.6722 6.7212 5.7456 4.5332 3.9385 8.5053 8.2233 3.7026 3.9855 2.9735 4.0826 2.9163 2.4456 5.4083 1.0631 5.6491 4.4185 10.3210 5.8802 2.1299 6.3018 12.3020 9.9748 6.8597 9.1325 370.6917 8.9413 2.4320 2.8501 15.0756 5.7280 6.4339 18.6310 8.6080 12.7512 5.3999 7.3515 69.3685 27.9647 5.2491 0.9155 22.8780 0.6504 11.0697 9.6677 19.3735 24.8775 10.0630 12.0945 60.1962 5.3905 1.3244 1.7277 5.8135 5.6354 7.2290 8.7251 11.1676 54.0794 22.4289 24.3665 26.2728 46.0206 108.0989 83.6891 141.5611 56.8351 68.9046 69.3960 66.0531 31.6228 100.2771 85.0277 84.6612 60.8077 46.5546 28.0185 63.9482 23.9950 63.7131 42.6959 86.8552 80.3935 83.5191 231.0292 80.4338 46.8948 251.5594 23.1909 245.3298 10.4895 61.7236 0.7499 0.7390 0.7472 0.7035 0.7500 0.7486 0.6989 0.5310 0.7227 0.7188 0.7256 0.7500 0.6887 0.7478 0.5498 0.7326 0.5830 0.7485 0.1156 0.5793 0.2396 0.4610 0.3368 0.7500 0.7495 0.3510 0.3580 0.2191 0.3004 0.4327 0.2282 0.5410 0.7391 0.7056 0.6329 0.3574 0.3686 0.7453 0.7282 0.3080 0.1361 0.6654 0.4867 0.4558 0.7079 0.6799 0.7212 0.5453 0.3831 0.7494 0.7500 0.7492 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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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16097.4179 19233.1535 26815.1716 0.99993 -0.01158 0.00358 0.01155 0.99990 0.00815 -0.00367 -0.00811 0.99996 1 0.00538 0.00450 0.00323 0.11211 0.09383 0.06730 18.21 27.27 37.73 43.95 47.11 61.02 75.70 88.10 122.11 134.38 150.98 185.81 216.25 228.46 238.65 245.55 281.43 283.12 308.73 327.07 366.38 374.19 392.04 417.71 435.53 446.78 471.71 522.76 533.66 553.42 564.52 629.35 651.54 654.75 683.69 699.34 706.42 717.06 743.50 745.47 757.53 792.54 814.38 834.71 858.81 875.53 910.56 923.19 923.55 953.66 975.75 1022.03 1064.13 1099.52 1104.78 1123.09 1136.95 1146.11 1154.37 1165.95 1195.49 1204.60 1225.01 1234.76 1261.45 1284.56 1295.63 1331.21 1351.16 1370.90 1375.41 1387.11 1423.75 1435.23 1475.41 1505.68 1527.65 1530.53 1544.59 1560.60 1567.72 1577.69 1581.02 1594.28 1600.13 1600.73 1624.85 1627.80 1640.27 1644.25 1646.65 1650.76 1673.38 1682.41 1688.60 1698.79 1706.86 1721.11 1744.09 1749.15 1752.81 1782.05 1790.18 1812.50 1838.86 1867.89 1873.78 1878.32 1880.79 1888.65 1895.97 1911.83 1929.25 1951.34 1965.57 1980.99 2020.64 2028.85 2052.25 2065.29 2085.19 2090.82 2119.60 2126.31 2136.09 2145.20 2175.68 2190.30 2195.74 2207.39 2253.59 2260.48 2265.22 2272.37 2279.00 2299.37 2323.88 2335.01 2338.47 2341.22 2346.93 2347.76 2350.56 2354.72 2365.17 2367.82 2378.66 2392.97 2404.67 2405.53 2412.63 2423.98 2507.25 2570.35 2571.42 2589.32 2603.17 2607.13 2608.67 2651.32 4610.92 4625.15 4631.74 4684.74 4700.17 4711.19 4715.98 4717.26 4726.18 4744.36 4754.25 4790.17 4795.74 4818.97 4826.54 4832.09 4832.16 4838.09 4844.11 4849.38 4858.31 4873.62 4873.81 4874.10 4890.50 4892.87 4895.46 5242.52 5818.58 0.580710 0.608796 0.609740 0.518471 -1515.837544 -1515.809458 -1515.808514 -1515.899783 3.061177D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE Cc1ccc(c2c1cc(c(n2)O)[C@@H](c3nnnn3Cc4ccccc4)[NH+]5CCc6ccccc6C5)C C08671191 RHF 6-31G(d) (6D,10F) C1 477.240285 |X|Y|Z| 90.992019 80.605981 49.957952 71.558034 33 6 7 27 6 |36.858105| |12.611991|36.858105| |7.617958|14.022302|36.858105| |4.993788|7.864679|13.453822|36.858105| |4.356726|6.655856|7.817820|13.990971|36.858105| |4.937292|7.716353|6.862818|8.015943|13.389872|36.858105| |7.426808|13.309959|7.988429|6.899084|7.742862|13.503495|36.858105| |6.391278|7.634744|5.149095|4.566062|5.117617|7.922564|13.482230|36.858105| |4.382467|5.090056|3.963453|3.828952|4.556065|6.904633|7.864349|13.942817|36.858105| |3.701989|4.577361|3.883906|4.089271|5.346964|8.344743|6.973865|8.039273|13.389771|36.858105| |3.825227|5.123244|4.607714|5.280973|7.986460|14.021840|7.887820|6.910794|7.967460|14.892778|53.358707| |2.951686|3.462005|3.066512|3.258298|4.106228|5.430553|4.677942|5.325568|8.092979|14.207678|11.495556|73.516695| |3.572639|3.782339|3.068720|2.942109|3.347702|4.461662|4.963037|7.495708|12.583876|7.494599|6.926575|12.167733|36.858105| |3.042471|3.270282|2.758550|2.720845|3.140144|4.064270|4.206340|5.649195|8.952039|7.277922|6.673733|14.427659|17.665521|0.500000| |3.679658|3.631459|2.920061|2.707975|2.950409|3.761019|4.413411|6.468379|7.621182|5.096604|5.390944|8.214672|12.675173|0.248085|36.858105| |3.790774|3.503904|2.808282|2.538673|2.679948|3.311855|3.997380|5.600996|5.705425|4.043497|4.545617|6.493000|7.735145|0.162331|14.732069|53.358707| |3.512975|3.163797|2.592196|2.332924|2.418668|2.895344|3.446877|4.462462|4.376943|3.347455|3.915851|5.455407|5.357464|0.126217|9.066435|19.396731|53.358707| |3.297044|3.077166|2.557307|2.338368|2.449497|2.928556|3.402128|4.317261|4.374870|3.440499|4.017688|5.675680|5.285375|0.132284|8.929790|12.193880|20.733243|53.358707| |3.374027|3.321124|2.739806|2.555881|2.759902|3.410684|3.897404|5.183342|5.748838|4.367495|4.851942|7.225845|7.487922|0.190079|14.361847|12.183195|12.421589|19.496093|53.358707| |2.951700|3.025755|2.588515|2.490282|2.731949|3.312346|3.561638|4.380053|5.016867|4.293598|4.857808|7.445876|5.889240|0.174682|7.466271|7.258781|7.456500|10.642188|17.680454|36.858105| |2.456978|2.540858|2.228830|2.189988|2.425199|2.883742|2.979290|3.570015|4.271691|3.903145|4.383933|7.423112|5.309803|0.178244|5.885683|6.037811|5.971936|7.578960|10.470944|12.585241|36.858105| |2.301570|2.449819|2.189391|2.207835|2.498605|2.951668|2.913350|3.384150|4.181519|4.170954|4.680155|8.594657|4.916897|0.177544|4.717573|4.954303|4.699769|5.543109|7.291031|7.565780|13.738072|36.858105| |1.990597|2.106221|1.912932|1.941163|2.181589|2.512927|2.456298|2.791061|3.372995|3.433987|3.964771|7.260081|3.942830|0.138239|3.733496|4.166891|3.967432|4.500370|5.486997|5.016268|7.909948|13.713664|36.858105| |1.847883|1.915601|1.739043|1.743361|1.924803|2.195765|2.189945|2.495749|2.933944|2.883847|3.372044|5.872321|3.506541|0.117369|3.483030|4.045425|3.936650|4.425963|5.136230|4.435624|6.849530|7.936925|13.779373|36.858105| |1.924930|1.957526|1.757994|1.733877|1.889865|2.166464|2.216713|2.566708|2.963575|2.789557|3.254611|5.452533|3.640431|0.117561|3.882069|4.574738|4.599611|5.279022|5.954935|5.022619|7.916899|6.878977|7.939879|13.710422|36.858105| |2.199509|2.221907|1.963694|1.914631|2.083351|2.426853|2.532529|3.000994|3.462714|3.140121|3.613513|5.948885|4.356109|0.138729|5.015456|5.674175|5.858520|7.224361|8.483953|7.558334|13.674805|7.938379|6.871317|7.931077|13.782832|36.858105| |3.238082|3.328177|2.756923|2.634266|2.934782|3.730026|4.116102|5.666418|7.476728|5.505872|5.628613|9.530904|12.519115|0.253291|7.921300|9.539135|6.468104|5.839912|7.084434|4.174402|4.055949|3.833261|3.366775|3.146161|3.265592|3.680394|53.358707| |3.522638|3.469848|2.824828|2.626772|2.849525|3.578347|4.144505|5.770543|6.594442|4.723039|5.113617|7.739328|9.304378|0.183943|7.940483|11.697031|7.328654|6.138545|6.979995|3.917557|3.660423|3.354147|2.953203|2.816122|2.990012|3.403393|25.613643|0.500000| |2.617374|2.650780|2.271264|2.193609|2.417434|2.935597|3.135783|3.991573|4.954540|4.135066|4.443016|7.815775|7.622097|0.208407|6.317500|7.946711|5.974272|5.497339|6.429922|3.942973|4.189013|3.939861|3.658027|3.592368|3.779214|4.086751|17.224429|0.258806|36.858105| |2.402206|2.383150|2.069670|1.986124|2.145721|2.531254|2.715154|3.314751|3.798458|3.270838|3.715958|6.025024|4.997427|0.131541|4.561682|6.476706|5.142672|4.560493|4.936343|3.065865|3.196745|3.019806|2.898541|2.930433|3.092044|3.237349|10.502757|0.208114|12.547699|36.858105| |2.398072|2.411107|2.115755|2.045194|2.212622|2.587409|2.738658|3.247202|3.660359|3.262957|3.788926|5.962094|4.383653|0.114058|3.782436|5.306054|4.267753|3.823242|4.145652|2.643535|2.705116|2.639486|2.540181|2.504756|2.560708|2.660408|9.131043|0.181891|7.572435|12.584032|36.858105| |2.117165|2.111687|1.888481|1.828863|1.952227|2.222215|2.334144|2.670764|2.909278|2.665613|3.205232|4.858036|3.322965|0.087883|2.995660|4.264558|3.599037|3.242083|3.426466|2.226973|2.282291|2.235662|2.188859|2.186850|2.230536|2.278719|6.144346|0.126614|5.010757|7.561444|13.683302|36.858105| |2.041433|2.053719|1.863889|1.817735|1.933270|2.165347|2.246719|2.497715|2.674983|2.514973|3.100796|4.549653|2.908805|0.076997|2.600370|3.664869|3.137836|2.856759|3.018361|1.992436|2.023314|2.007749|1.965994|1.941134|1.955117|1.995087|5.122971|0.105313|3.877354|5.021313|7.904118|13.810324|36.858105| |2.196203|2.251105|2.050794|2.016894|2.161134|2.421053|2.482970|2.722069|2.912827|2.788707|3.473746|4.998905|3.050027|0.080155|2.642926|3.660221|3.102359|2.845234|3.047965|2.023506|2.032976|2.040431|1.977399|1.914209|1.907811|1.963110|5.322324|0.107861|3.749202|4.430585|6.837613|7.947242|13.711577|36.858105| |2.515296|2.625389|2.352349|2.319195|2.531401|2.916302|2.987432|3.338792|3.663050|3.492416|4.252893|6.217494|3.801450|0.098318|3.132722|4.253465|3.497694|3.210654|3.516534|2.317322|2.310999|2.329386|2.221021|2.113108|2.098989|2.188237|6.922549|0.136259|4.520813|5.010977|7.911831|6.901071|7.959491|13.816708|36.858105| |2.661004|2.749748|2.401997|2.342160|2.574495|3.060681|3.203533|3.792839|4.352866|3.938344|4.537859|7.094972|4.916347|0.125088|3.916585|5.292833|4.180038|3.795351|4.222383|2.716442|2.727155|2.713663|2.563568|2.446584|2.456161|2.585043|10.434360|0.196263|6.733949|7.550978|13.731387|7.951683|6.869775|7.918220|13.679095|36.858105| |3.077832|3.283104|2.793443|2.737124|3.100811|3.897332|4.076247|5.126602|6.547402|5.687820|6.022365|10.065954|7.478465|0.180965|5.061022|6.331883|4.784646|4.424588|5.185273|3.312262|3.267428|3.275332|2.978726|2.746757|2.741542|2.964352|17.307419|0.257912|7.788905|6.419146|7.500457|5.007276|4.445050|5.052454|7.651376|12.584614|36.858105| |3.239760|4.359599|4.972009|7.573441|12.636573|7.490562|4.960124|3.851513|3.743054|4.641528|9.171761|6.986063|2.916476|0.078969|2.551656|3.140665|2.860012|2.922287|3.293433|2.460878|2.258222|2.391181|2.131219|1.867752|1.801544|1.949336|3.539393|0.068917|2.211508|1.972349|2.043506|1.823574|1.820092|2.036131|2.356528|2.364240|2.793809|36.858105| |17.540720|8.806792|5.913045|4.277218|3.899349|4.511673|6.589238|6.383142|4.445650|3.649594|4.973431|5.233335|3.729973|0.086504|3.821265|5.581308|5.006294|4.509603|4.580494|2.863761|2.424960|2.264354|1.975621|1.849299|1.933238|2.198940|4.814160|0.110441|2.815223|2.629545|2.654061|2.337983|2.254509|2.430642|2.793468|2.956336|3.375484|2.990942|0.500000| |17.543577|8.808827|5.916635|4.280184|3.901836|4.513247|6.588146|6.386785|4.445203|3.649683|4.974680|5.231549|3.737233|0.088215|4.076378|5.751989|5.537397|5.249080|5.248360|3.319017|2.676066|2.452764|2.094931|1.950193|2.056425|2.388955|4.466223|0.099376|2.683459|2.431003|2.364610|2.077011|1.972969|2.090078|2.383730|2.574773|2.994232|2.993008|0.301614|0.500000| |17.611153|8.895639|7.343845|4.752014|3.928794|4.132201|5.516982|4.712937|3.523164|3.108257|4.443915|4.543346|2.970175|0.072098|3.063575|4.321544|4.119412|3.893927|3.913553|2.571892|2.176776|2.050704|1.797115|1.678903|1.745537|1.973287|3.738858|0.082404|2.287370|2.135331|2.143182|1.927814|1.876971|2.012595|2.262236|2.352491|2.648284|3.009586|0.302698|0.302703|0.500000| |7.053085|9.024326|17.726702|8.871191|5.626610|4.948487|5.649394|4.145522|3.293254|3.193317|4.978736|4.652088|2.670643|0.067149|2.599712|3.473973|3.268943|3.208648|3.359045|2.329946|2.019517|1.971967|1.740741|1.599312|1.623835|1.805255|3.328645|0.070264|2.055221|1.901986|1.943071|1.758090|1.742072|1.902725|2.144524|2.174116|2.465255|4.085678|0.153138|0.153241|0.226219|0.500000| |4.101694|5.648325|8.885502|17.716087|9.039554|5.668861|4.966134|3.630451|3.160483|3.390701|5.779885|5.023479|2.528803|0.065921|2.351101|3.025430|2.816545|2.828199|3.055226|2.208735|1.969770|1.994651|1.777171|1.604676|1.591049|1.740315|3.131753|0.063705|1.957690|1.792927|1.850644|1.676840|1.678091|1.856310|2.101183|2.098361|2.398565|7.014483|0.099627|0.099700|0.114035|0.217286|0.500000| |7.297392|7.004804|4.689827|3.950267|4.140526|5.633070|8.858914|17.739157|9.008219|5.674363|6.769289|7.592582|6.905087|0.141412|7.140154|9.475338|7.390112|6.723204|7.582629|4.346163|3.480572|3.170848|2.639642|2.420780|2.549809|3.014232|7.626752|0.173942|4.016830|3.418206|3.279475|2.710736|2.505610|2.678831|3.222193|3.700320|4.746020|3.219576|0.217224|0.218060|0.143600|0.110525|0.090007|0.500000| |2.731823|3.244636|2.978050|3.272008|4.214647|5.259372|4.259218|4.492560|6.045267|10.174210|11.442378|35.534781|5.104636|0.161978|3.774220|4.215386|3.641303|3.796872|4.684137|3.627495|3.650553|4.314332|3.788007|3.058253|2.791374|2.980845|5.818426|0.100242|3.662158|2.954848|2.976717|2.495810|2.382124|2.633501|3.213914|3.515323|4.659991|4.300410|0.074932|0.074959|0.066811|0.070828|0.079978|0.101681|0.500000| |3.175320|3.382399|2.892123|2.820690|3.158387|3.904393|4.110900|4.971834|5.779523|5.133264|5.808742|8.624553|6.032661|0.178996|6.689353|6.507480|6.340413|8.193275|12.492518|17.619049|8.835429|7.284151|4.760315|3.972820|4.176467|5.572812|5.588363|0.105721|3.691633|2.887563|2.572076|2.167587|1.968009|2.031369|2.349377|2.717508|3.386905|2.827153|0.083864|0.098588|0.076228|0.071101|0.068742|0.129603|0.116713|0.500000| |2.818044|2.830876|2.455185|2.343985|2.517075|2.962208|3.201457|3.777874|4.055960|3.551206|4.213046|6.092046|4.512756|0.129080|5.740714|6.307918|7.076827|10.597430|12.758602|17.643477|8.815588|5.873276|4.294727|3.974427|4.605755|6.735148|4.698617|0.092732|3.307058|2.692877|2.342334|2.014118|1.814542|1.833757|2.068395|2.383375|2.819228|2.274294|0.075103|0.089345|0.069357|0.062337|0.058379|0.106724|0.085101|0.302608|0.500000| |2.431706|2.656089|2.385446|2.444596|2.825163|3.366094|3.223345|3.676455|4.620850|4.909506|5.506876|10.324212|5.014541|0.179742|4.551333|4.748822|4.435449|5.161385|6.831183|7.006805|8.903368|17.699438|8.919004|5.649809|4.953760|5.639082|5.152590|0.091712|3.677621|2.846792|2.566075|2.173973|1.981330|2.046918|2.359898|2.712079|3.343070|2.724383|0.065702|0.071546|0.059970|0.059015|0.061019|0.092539|0.145907|0.223855|0.151917|0.500000| |1.885020|2.017715|1.856980|1.911060|2.163850|2.459693|2.350978|2.612653|3.145420|3.337405|3.930390|7.255955|3.528724|0.121864|3.234453|3.674197|3.470317|3.856770|4.620103|4.093170|5.637338|8.912588|17.725887|8.919641|5.643872|4.951838|4.193201|0.074989|3.295203|2.673923|2.411113|2.099872|1.912226|1.938514|2.171457|2.463100|2.841152|2.157653|0.051871|0.054520|0.047538|0.046934|0.048904|0.067789|0.109368|0.113348|0.099482|0.215654|0.500000| |1.681783|1.742036|1.596765|1.607135|1.767525|1.989469|1.972153|2.215045|2.569729|2.557397|3.041986|5.209406|3.007046|0.098332|2.953581|3.528201|3.433604|3.773729|4.255857|3.547899|4.940533|5.644099|8.924051|17.726485|8.902950|5.645137|3.801948|0.069977|3.210900|2.719043|2.357955|2.096832|1.872102|1.836020|2.000506|2.286066|2.506231|1.732319|0.046868|0.048945|0.042767|0.041007|0.041390|0.059736|0.076806|0.090449|0.090516|0.124228|0.214905|0.500000| |1.787825|1.798696|1.622902|1.593924|1.720057|1.950974|2.006898|2.304218|2.604706|2.442533|2.892136|4.709200|3.158491|0.098497|3.406691|4.198264|4.294381|4.804196|5.129657|4.096384|5.638144|4.955830|5.647560|8.900716|17.725920|8.938289|4.006760|0.076334|3.453547|2.956976|2.441200|2.165478|1.893763|1.825388|1.978676|2.299016|2.498253|1.641042|0.050111|0.052952|0.045374|0.041967|0.040854|0.064334|0.067599|0.096064|0.108560|0.107550|0.124101|0.214691|0.500000| |2.230966|2.205368|1.939407|1.864677|1.999328|2.318072|2.469435|2.934025|3.270845|2.890681|3.370881|5.301027|4.083603|0.122163|5.060262|6.072865|6.727836|8.548979|8.890589|7.008713|8.884917|5.642289|4.949949|5.643151|8.934193|17.700677|4.808269|0.094031|3.893683|3.190974|2.598866|2.244470|1.958797|1.913004|2.115553|2.493993|2.814701|1.851403|0.062169|0.068048|0.055748|0.049904|0.047129|0.084160|0.073990|0.140521|0.191840|0.123919|0.107485|0.124181|0.215888|0.500000| |2.412440|2.501025|2.181082|2.149564|2.404153|2.899144|2.983499|3.678751|4.705597|4.244684|4.532879|8.659937|6.780333|0.215387|5.252951|6.253287|4.993031|4.818926|5.746562|3.794861|4.244381|4.259359|4.104294|3.956766|3.945774|4.078320|12.443029|0.182440|17.615151|8.775392|6.656803|4.665640|3.742110|3.680024|4.441243|6.323312|7.426671|2.246676|0.070963|0.068247|0.059037|0.054674|0.053561|0.098913|0.112960|0.100635|0.087985|0.110480|0.104488|0.099023|0.098564|0.103345|0.500000| |2.585512|2.579886|2.206030|2.115310|2.311129|2.791447|3.015674|3.852740|4.673882|3.840910|4.170583|7.167386|7.384845|0.206782|7.375113|9.190261|7.090957|6.602892|7.718877|4.567699|4.954516|4.355866|3.982975|4.039323|4.505718|5.058756|12.288964|0.216021|17.671340|8.823321|5.523976|4.097985|3.257040|3.120669|3.623377|4.927205|5.653685|2.108835|0.076370|0.075261|0.062877|0.055748|0.052551|0.110331|0.094043|0.112752|0.105667|0.108365|0.095904|0.097737|0.113860|0.136285|0.300874|0.500000| |2.122498|2.110651|1.861280|1.800409|1.941678|2.253685|2.379506|2.833859|3.230534|2.878842|3.320972|5.424310|4.138334|0.114605|3.876343|5.404558|4.551505|4.145419|4.435095|2.847533|3.065002|2.922098|2.900991|3.019113|3.178888|3.204241|7.644402|0.148002|8.988403|17.573973|8.866160|6.974872|4.680805|3.974800|4.242257|5.742756|4.943893|1.810946|0.063693|0.059877|0.053055|0.047826|0.045564|0.080538|0.075274|0.073886|0.070318|0.075348|0.074547|0.079335|0.086275|0.087400|0.217320|0.209400|0.500000| |2.490401|2.406158|2.074285|1.958863|2.083831|2.447438|2.687823|3.294901|3.618157|3.036395|3.503549|5.410386|4.677639|0.118164|4.660537|7.228251|5.757369|4.871659|5.046641|3.035309|3.075470|2.820100|2.669299|2.723599|2.952301|3.156991|9.214114|0.212201|8.906522|17.526504|8.866925|6.540457|4.551906|3.990197|4.377942|6.065112|5.360569|1.893848|0.076584|0.070553|0.061565|0.053361|0.049132|0.097852|0.074142|0.078478|0.075274|0.073759|0.067864|0.069957|0.079467|0.089296|0.173623|0.220096|0.304161|0.500000| |1.962119|1.937310|1.739268|1.679808|1.781159|2.012173|2.118696|2.416553|2.612204|2.390080|2.888098|4.367373|3.011018|0.080467|2.811063|4.048492|3.501364|3.153501|3.278902|2.136431|2.206997|2.143138|2.119581|2.157414|2.222908|2.248880|5.358219|0.111498|4.578758|7.039087|8.915639|17.708824|8.946157|5.650407|4.965892|5.654187|4.076824|1.668668|0.059824|0.053973|0.049966|0.045290|0.042999|0.068814|0.062610|0.057104|0.054173|0.057232|0.056227|0.057889|0.060859|0.062074|0.117884|0.109383|0.205205|0.181091|0.500000| |1.858165|1.859669|1.705739|1.664850|1.756116|1.938881|2.005853|2.198680|2.325988|2.204379|2.755902|3.985972|2.505528|0.066821|2.286729|3.234788|2.830460|2.589012|2.705168|1.801062|1.831586|1.817071|1.792327|1.782501|1.796163|1.820222|4.247354|0.087794|3.243433|4.098150|5.633981|8.944503|17.732494|8.899098|5.656353|4.951518|3.554168|1.664284|0.056696|0.049941|0.047975|0.044670|0.043055|0.061490|0.058615|0.049330|0.046013|0.049724|0.048586|0.048139|0.048744|0.049848|0.087529|0.078219|0.110787|0.106740|0.215986|0.500000| |2.078348|2.139907|1.981971|1.962364|2.088931|2.293710|2.327300|2.486490|2.618423|2.554324|3.260549|4.555608|2.670414|0.070581|2.339132|3.229827|2.785065|2.574258|2.743778|1.842573|1.844592|1.860818|1.807884|1.745927|1.732247|1.777733|4.453049|0.090466|3.112152|3.544996|4.934984|5.649938|8.892181|17.735141|8.943626|5.638242|4.123892|1.987614|0.063544|0.054528|0.053518|0.051419|0.050652|0.067660|0.067854|0.051689|0.046747|0.052173|0.049592|0.046748|0.046134|0.048144|0.085720|0.073965|0.090488|0.090821|0.124210|0.214212|0.500000| |2.635770|2.822895|2.555531|2.555318|2.817747|3.230355|3.236023|3.505977|3.809798|3.766419|4.711539|6.585554|3.720053|0.096174|3.021418|4.032402|3.340458|3.102965|3.423417|2.284447|2.253906|2.296350|2.172309|2.035822|2.005600|2.100567|6.347404|0.123798|3.956315|4.085025|5.633673|4.965089|5.655181|8.951056|17.698521|8.892048|7.145861|2.631303|0.080859|0.068287|0.065861|0.064182|0.064158|0.091524|0.096164|0.065429|0.056682|0.065736|0.059506|0.053440|0.052183|0.056167|0.109802|0.090574|0.097824|0.101591|0.107718|0.124303|0.216048|0.500000| |3.555378|3.887575|3.251539|3.166881|3.605525|4.655197|4.954187|6.178229|7.409802|6.360797|6.970139|10.005264|6.889910|0.157923|4.824976|6.124090|4.671913|4.310586|5.003786|3.197674|3.037552|3.035031|2.717032|2.483779|2.484483|2.717788|12.391404|0.225794|5.656611|4.922155|5.708106|4.246207|4.002032|4.742949|7.135122|8.881294|17.677577|3.149879|0.109821|0.093426|0.083693|0.078425|0.075782|0.152919|0.131107|0.093051|0.076459|0.088035|0.072433|0.062985|0.062992|0.072355|0.147879|0.126752|0.109532|0.123798|0.097721|0.091024|0.112358|0.212753|0.500000| |2.805091|3.069985|2.674140|2.696835|3.133499|3.916340|3.858330|4.662072|6.308804|6.283184|6.462705|12.719657|7.019570|0.195941|4.620673|5.490616|4.325854|4.154647|4.971939|3.339558|3.403611|3.570572|3.287952|2.957238|2.859615|3.036868|12.449137|0.181712|7.012228|5.468132|6.078374|4.379325|3.979626|4.516103|6.449073|8.783284|17.615877|2.913620|0.083025|0.076191|0.067760|0.065325|0.066043|0.115289|0.160839|0.096284|0.078252|0.102758|0.088771|0.075100|0.071482|0.078080|0.221374|0.146393|0.126869|0.124256|0.101760|0.090611|0.105846|0.177407|0.302157|0.500000| |2.998856|3.914443|4.271577|5.899847|8.853908|6.677996|4.551440|3.705792|3.727043|4.745628|9.209322|7.377957|2.942865|0.081463|2.581428|3.125998|2.869778|2.980836|3.393944|2.605160|2.400903|2.584409|2.291495|1.980481|1.893374|2.047624|3.493988|0.067297|2.211807|1.948570|1.990579|1.770758|1.750906|1.937165|2.235142|2.277515|2.707626|17.571244|0.076625|0.079265|0.077050|0.099455|0.152508|0.086138|0.129546|0.084411|0.066855|0.083362|0.064919|0.050887|0.047599|0.053562|0.062968|0.059113|0.050024|0.051798|0.045262|0.044515|0.052201|0.068326|0.082868|0.079656|0.500000| |2.996930|3.912277|4.269752|5.898139|8.851832|6.676202|4.549497|3.702533|3.725182|4.744967|9.209779|7.383569|2.937625|0.080080|2.511594|3.095806|2.786003|2.822727|3.190678|2.366869|2.214594|2.367082|2.138191|1.875104|1.795783|1.923968|3.650227|0.070379|2.282327|2.044883|2.152283|1.922617|1.936989|2.196571|2.559311|2.526308|2.976703|17.569986|0.079156|0.076624|0.077007|0.099413|0.152476|0.086022|0.129491|0.074620|0.060222|0.074522|0.060593|0.048566|0.045497|0.050542|0.065044|0.059612|0.052150|0.054008|0.048511|0.049057|0.059880|0.080822|0.093559|0.087494|0.303095|0.500000| |3.006191|3.924096|4.722880|7.274733|8.897572|5.542531|4.140534|3.270753|3.124960|3.683569|6.661300|5.712246|2.518920|0.068138|2.256368|2.823205|2.604712|2.654277|2.939199|2.192992|2.018801|2.121481|1.912541|1.695636|1.641165|1.766591|3.108229|0.061212|1.972252|1.785316|1.851633|1.674599|1.681450|1.872612|2.130453|2.116482|2.439106|17.594805|0.076809|0.076864|0.079906|0.113351|0.223622|0.078560|0.096455|0.069004|0.057136|0.066238|0.053815|0.043977|0.041846|0.046913|0.055438|0.052494|0.045814|0.047916|0.042806|0.043078|0.051239|0.065735|0.075689|0.069952|0.301255|0.301243|0.500000| 1514.775912 -11163.105573 4513.246449 -208.916462 -5343.999674 3827.581327 -1516.418346 2.001084 40DCB5FFFFFFFFE0 45357E78D845E404 44B5BFB80046B82D 42AC5F22647CC003 37F6DDF1FB732A80 454150B3238C8171