Version2.0 2020-08-01T09:33:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 05-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)[C@@H]3CCCCN3CC#C C66445237 RHF 6-31G(d) (6D,7F) CC[NH+]1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)[C@@H]3CCCCN3CC#C C01[X(C22H37N4O2)] 189 C1 494 C#CCN1CCCC[C@H]1C(=O)N1CCC(CC1)CC(=O)N1CC[NH+](CC1)CC C#CCN1CCCC[C@H]1C(=O)N1CCC(CC1)CC(=O)N1CC[NH+](CC1)CC CC[NH+]1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)[C@@H]3CCCCN3CC#C InChIKey=YWAOBSHUVIJHSP-FQEVSTJZSA-O InChI=1S/C22H36N4O2/c1-3-10-24-11-6-5-7-20(24)22(28)26-12-8-19(9-13-26)18-21(27)25-16-14-23(4-2)15-17-25/h1,19-20H,4-18H2,2H3/p+1/t20-/m0/s1 InChI=1/C22H36N4O2/c1-3-10-24-11-6-5-7-20(24)22(28)26-12-8-19(9-13-26)18-21(27)25-16-14-23(4-2)15-17-25/h1,19-20H,4-18H2,2H3/p+1/t20-/m0/s1/fC22H37N4O2/h23H/q+1 CC[NH+]1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)[C@@H]3CCCCN3CC#C C01[X(C22H37N4O2)] 189 C01 494 C#CCN1CCCC[C@H]1C(=O)N1CCC(CC1)CC(=O)N1CC[NH+](CC1)CC C#CCN1CCCC[C@H]1C(=O)N1CC[C@H](CC1)CC(=O)N1CC[NH](CC1)CC CC[NH]1CCN(CC1)C(=O)C[C@@H]2CCN(CC2)C(=O)[C@@H]3CCCCN3CC#C InChIKey=HQFJBACKRWYAOS-FQEVSTJZSA-N InChI=1S/C22H37N4O2/c1-3-10-24-11-6-5-7-20(24)22(28)26-12-8-19(9-13-26)18-21(27)25-16-14-23(4-2)15-17-25/h1,19-20,23H,4-18H2,2H3/t20-/m0/s1 InChI=1/C22H37N4O2/c1-3-10-24-11-6-5-7-20(24)22(28)26-12-8-19(9-13-26)18-21(27)25-16-14-23(4-2)15-17-25/h1,19-20,23H,4-18H2,2H3/t20-/m0/s1 2652.8387575143 -1221.9097964 1-A 21771.4189 106 388 494 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65325 -20.57060 -15.86754 -15.72814 -15.64328 -15.60034 -11.47381 -11.45926 -11.45772 -11.45320 -11.43323 -11.41676 -11.39781 -11.38563 -11.34585 -11.33357 -11.31937 -11.31854 -11.31581 -11.31076 -11.30160 -11.29782 -11.28628 -11.27989 -11.27141 -11.26094 -11.25969 -11.25057 -1.52739 -1.51026 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1047.6741 1069.7786 1081.4410 1091.5079 1096.4364 1103.0677 1119.6446 1127.2256 1133.2811 1144.7703 1149.4100 1161.3905 1172.3876 1182.5384 1195.5577 1215.1189 1229.2456 1242.3098 1248.3711 1253.2180 1270.0460 1271.2216 1297.7733 1313.2814 1315.0659 1325.4216 1335.3491 1348.4006 1367.2222 1371.4213 1380.1127 1408.5320 1410.7336 1418.0445 1421.5043 1427.9878 1431.9368 1436.8514 1441.8994 1455.5538 1479.6930 1481.3565 1492.2972 1505.0702 1505.8296 1513.3508 1518.7358 1526.5772 1529.4227 1536.6914 1538.1898 1541.9715 1554.9486 1557.5564 1559.9006 1562.3941 1571.0201 1575.8453 1576.9564 1581.1913 1589.1766 1597.4985 1613.0031 1618.0569 1625.7262 1627.5488 1628.3725 1633.9231 1634.3677 1639.0675 1640.5024 1641.5878 1642.3457 1643.9843 1645.6448 1649.7032 1653.1402 1660.7756 1660.8770 1663.6465 1928.8246 1974.9660 2418.4527 3090.0924 3125.1330 3151.9556 3171.6536 3178.7576 3184.4551 3185.9019 3189.8832 3191.1948 3197.8836 3202.7826 3210.6031 3213.6406 3221.7221 3223.9905 3231.9713 3236.4884 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1.2806 1.3448 1.3842 1.4683 1.4976 1.3788 1.5403 1.5216 1.4523 1.2943 1.4642 1.4077 1.5156 1.6559 1.2225 1.3149 1.4974 1.1046 1.7998 1.0982 1.1192 1.1029 1.0672 1.0880 1.0706 1.0977 1.1232 1.0761 1.0818 1.1022 1.1251 1.0965 1.1143 1.1042 1.1110 11.0920 11.9447 5.6847 1.0751 1.0743 1.0814 1.0760 1.0758 1.0695 1.0711 1.0710 1.0660 1.0640 1.0744 1.0665 1.0644 1.0909 1.0408 1.1019 1.0923 1.0952 1.1055 1.1013 1.0960 1.0607 1.0612 1.0647 1.0976 1.0884 1.1044 1.0867 1.1111 1.1106 1.0914 1.0899 1.1072 1.0940 1.0917 1.1712 1.0780 0.0002 0.0006 0.0032 0.0019 0.0043 0.0082 0.0077 0.0095 0.0129 0.0129 0.0210 0.0355 0.0381 0.0421 0.0691 0.0731 0.0669 0.0828 0.1019 0.1110 0.0693 0.0645 0.1280 0.1522 0.1300 0.3546 0.1587 0.2190 0.2595 0.2485 0.2828 0.3880 0.4779 0.3844 0.3367 0.2956 0.3636 0.3894 0.4380 0.4479 0.5609 0.4357 0.5565 0.6949 0.8154 0.7834 0.7462 0.8569 0.4718 2.5882 0.9244 0.5292 1.0391 1.4493 1.0530 0.8440 0.6705 0.9662 0.7853 0.8904 1.2757 1.5734 1.4809 1.2832 1.4828 1.3980 1.2618 1.5466 1.5941 1.1099 1.5153 1.1988 1.5682 1.6768 1.2772 1.6781 1.7366 1.2930 1.4822 1.8021 1.2994 1.9975 2.0559 1.7867 2.1169 1.8101 2.0391 1.7865 1.7688 2.0501 1.5949 1.2150 1.4645 1.2031 1.9779 2.0162 2.0739 1.7935 1.8852 1.6418 1.5497 1.5396 1.7468 1.4681 1.9892 1.7612 1.4807 1.5493 1.6780 1.5948 1.6932 1.6458 1.8456 1.8669 1.7280 1.8275 1.9006 2.0236 2.0836 1.9220 2.1578 2.1677 2.0758 1.8555 2.1059 2.0470 2.2175 2.4261 1.8008 1.9566 2.2514 1.6933 2.7763 1.7102 1.7468 1.7230 1.6786 1.7122 1.6947 1.7406 1.7833 1.7101 1.7226 1.7586 1.8041 1.7656 1.8108 1.7947 1.8118 24.3134 27.4502 19.5899 6.0485 6.1819 6.3298 6.3775 6.4049 6.3899 6.4055 6.4208 6.3961 6.4106 6.4935 6.4772 6.4767 6.6711 6.3740 6.7814 6.7412 6.8011 6.8998 6.9161 6.9088 6.6881 6.7239 6.7771 7.0270 6.9962 7.1471 7.0610 7.2812 7.3093 7.2247 7.2325 7.3568 7.2777 7.3095 9.2584 8.5853 3.0657 1.5221 2.1405 1.5598 1.0467 0.8438 1.5434 0.4375 0.8309 0.6241 0.6341 1.4732 2.0144 1.8512 2.5512 0.3619 3.2300 3.1914 3.2369 1.0672 0.3563 0.5276 1.2586 1.2862 1.0577 11.2496 5.8414 2.2722 4.5819 8.7168 16.9093 11.2650 6.2037 6.9347 0.8968 3.8985 1.8220 0.6805 4.2942 1.3275 3.3961 2.7315 2.5960 10.0826 0.6595 4.5225 7.5171 11.9487 51.8658 14.5604 8.0347 45.6378 5.7549 12.0683 4.2070 0.8780 1.8668 2.4489 0.6725 4.2665 4.2847 9.1892 19.5162 4.4902 2.8074 3.1852 4.8032 11.7246 5.5439 8.8094 125.0050 2.6771 2.8597 41.8708 5.8582 15.6861 15.0056 11.9878 22.1436 8.0511 1.1014 51.0507 8.4455 50.1294 7.5299 39.6812 19.1229 120.9198 11.0615 22.5125 127.4014 3.7486 138.7181 33.1285 27.7747 17.2994 91.7275 27.4654 94.6999 84.4718 39.2647 2.2710 4.0932 5.8598 12.5782 82.7588 7.9765 40.0706 51.6004 11.9604 8.6781 14.4265 13.2660 15.2727 7.2678 5.0285 5.6657 42.6161 8.3982 10.2357 84.4016 15.0980 17.4937 4.2690 21.7636 12.6909 1.8770 264.3936 42.2974 29.7231 11.7371 11.2856 192.0167 1.8232 17.1020 0.3399 9.3599 2.9672 16.7919 7.3791 8.6850 7.3507 1.0096 3.3635 11.6615 14.5813 10.6223 9.2827 8.2130 345.2928 273.8634 0.6742 53.0008 48.9069 59.4712 12.9692 59.6931 52.6720 11.8257 7.7096 5.7909 35.6051 77.9818 63.4659 32.6146 10.2278 7.3123 7.0188 68.3859 80.4318 34.3658 63.3154 34.4248 0.3869 8.0531 1.6521 9.5122 24.8038 4.9174 6.4431 2.5807 12.8055 2.7864 24.1234 6.1497 6.4722 1.9094 61.6775 37.1116 0.6567 0.3781 0.6165 0.4726 0.6274 1.7768 0.0862 0.5049 0.2752 0.4557 0.7272 1.4197 1.6839 0.5629 1.2247 2.9885 1.0011 1.6175 0.1821 0.2570 0.3376 0.0783 0.7994 0.5672 0.8499 2.2157 0.1012 6.0856 0.4760 4.7303 0.2619 6.8437 2.6658 0.9590 0.7267 0.2322 3.3390 2.8575 1.3954 2.2782 2.1223 0.5661 0.4625 0.5263 1.0635 4.0007 3.8391 4.0302 2.6542 5.3051 6.7722 3.7304 1.6662 4.3550 22.8348 2.8572 3.2178 4.9925 2.7132 3.2499 1.8799 1.1779 3.7567 0.8220 0.2424 1.3565 1.8780 1.6626 3.3815 1.4415 1.7731 2.0096 3.9969 2.4285 6.5138 15.3468 8.8849 5.9709 4.7722 3.6590 6.4140 4.0478 4.8966 3.4315 2.8284 0.5926 4.1500 4.9318 6.4428 8.7086 3.8518 4.1714 1.6249 4.6098 6.4827 7.0080 4.5835 2.1109 8.5563 20.2665 8.4531 4.4634 12.2682 14.3540 1.7260 3.1421 16.9342 7.0330 6.4896 4.8888 0.7551 5.1844 6.1888 1.7268 1.3149 2.9560 2.7066 2.2184 1.8539 0.6464 2.3053 10.7973 8.8592 5.6347 3.3268 2.8119 3.7551 3.5817 7.0929 3.8383 5.0328 5.1380 7.7168 2.8467 11.7395 21.3040 15.6630 10.8190 21.8395 2.9618 14.2959 1.0878 6.7051 11.6166 1.2635 2.9074 7.5108 10.3506 5.0611 12.4690 7.5528 146.5989 35.5235 59.1501 46.6436 23.1651 126.5123 61.8306 16.3829 65.8961 18.2817 170.3615 36.9035 130.0078 85.2697 72.2066 101.7175 26.0951 161.9779 41.3462 58.6501 52.1702 77.1941 1.3719 76.2850 90.3912 99.1146 93.2629 72.8932 76.8568 4.5215 64.4463 71.3189 77.9899 69.5669 35.7021 50.4169 37.7756 27.2249 0.7216 0.7481 0.7136 0.7444 0.7231 0.7462 0.6083 0.7496 0.6665 0.7303 0.7321 0.6924 0.4044 0.7349 0.7323 0.3797 0.7320 0.4058 0.6434 0.6964 0.5170 0.3666 0.5105 0.4457 0.7460 0.3617 0.6207 0.7481 0.2088 0.7077 0.2772 0.7487 0.2222 0.4174 0.7456 0.2367 0.1430 0.2257 0.3935 0.7110 0.7054 0.4493 0.6421 0.7460 0.5870 0.7298 0.0575 0.0958 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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 1.00783 1.00783 1.00783 4103.6815 35531.6748 37593.1059 0.99999 -0.00078 0.00360 0.00076 0.99997 0.00775 -0.00361 -0.00774 0.99996 1 0.02111 0.00244 0.00230 0.43979 0.05079 0.04801 12.12 21.37 43.34 45.36 57.24 83.14 87.22 101.74 116.09 128.29 149.32 175.04 206.67 214.67 257.14 276.19 302.88 309.08 333.54 358.43 378.76 384.76 407.93 443.39 495.89 507.53 529.64 555.89 558.59 567.72 582.19 595.62 617.04 640.30 672.00 682.89 713.15 723.52 728.27 746.54 779.94 818.72 844.01 902.05 928.64 956.32 1007.76 1026.23 1135.33 1153.30 1182.81 1191.59 1202.83 1243.80 1263.92 1272.42 1283.71 1300.62 1307.94 1338.28 1370.09 1384.39 1400.57 1421.45 1441.15 1473.89 1487.74 1495.59 1500.74 1507.37 1539.17 1555.95 1570.44 1577.53 1587.07 1610.92 1621.83 1630.54 1647.07 1653.74 1670.98 1686.80 1701.41 1720.14 1748.29 1768.61 1787.41 1796.13 1803.10 1827.31 1829.00 1867.21 1889.52 1892.09 1906.99 1921.27 1940.05 1967.13 1973.17 1985.67 2026.56 2029.73 2040.25 2045.23 2054.56 2060.24 2067.31 2074.57 2094.22 2128.95 2131.34 2147.08 2165.46 2166.55 2177.37 2185.12 2196.40 2200.50 2210.96 2213.11 2218.55 2237.22 2240.98 2244.35 2247.94 2260.35 2267.29 2268.89 2274.98 2286.47 2298.44 2320.75 2328.02 2339.06 2341.68 2342.86 2350.85 2351.49 2358.25 2360.32 2361.88 2362.97 2365.33 2367.72 2373.55 2378.50 2389.49 2389.63 2393.62 2775.15 2841.54 3479.61 4445.95 4496.37 4534.96 4563.30 4573.52 4581.72 4583.80 4589.53 4591.42 4601.04 4608.09 4619.34 4623.71 4635.34 4638.60 4650.09 4656.58 4670.96 4682.93 4697.31 4706.11 4706.72 4718.18 4728.98 4742.69 4752.25 4768.41 4777.99 4798.43 4808.67 4822.71 4828.59 4831.69 4834.56 4850.09 5270.09 5289.70 0.628966 0.655486 0.656430 0.568108 -1221.280830 -1221.254310 -1221.253366 -1221.341689 2.962368D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE CC[NH+]1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)[C@@H]3CCCCN3CC#C C66445237 RHF 6-31G(d) (6D,10F) C1 389.291652 |X|Y|Z| 138.262169 43.721219 27.251079 54.818411 21 6 7 17 4 |36.858105| |12.522834|36.858105| |7.534697|12.632853|53.358707| |7.226130|9.317840|25.673981|0.500000| |6.124954|7.557354|17.221219|0.258776|36.858105| |4.255335|4.944786|10.431053|0.198394|12.537843|36.858105| |3.615852|4.458892|9.065077|0.166972|7.827753|13.171991|53.358707| |3.800635|4.961556|10.392377|0.197485|6.609357|7.892849|17.966936|36.858105| |4.955332|7.662883|17.260346|0.258988|7.713875|6.635232|10.670970|12.504519|36.858105| |2.880951|3.386302|6.108667|0.116557|5.236550|7.844087|18.615264|7.582012|5.151466|36.858105| |2.695695|3.043184|5.286801|0.102246|4.793204|7.144481|11.596197|5.346004|4.104740|15.963771|73.516695| |2.489385|2.937308|5.020595|0.096794|3.909779|5.001791|10.421603|6.472447|4.516080|12.553618|14.179588|36.858105| |2.106828|2.409201|3.927988|0.076412|3.108209|3.820830|6.772450|4.263869|3.335706|7.447186|11.988276|12.426941|36.858105| |1.879165|2.137521|3.396264|0.066881|2.582112|3.036487|5.187340|3.595395|2.906606|4.910421|7.868757|7.577895|12.416021|36.858105| |1.656331|1.849663|2.872051|0.056697|2.204553|2.539757|4.106237|2.817959|2.381835|3.754135|6.472757|4.916440|7.545473|12.478919|36.858105| |1.635642|1.825497|2.799361|0.054539|2.175994|2.461649|3.925734|2.647547|2.302302|3.555769|6.272141|4.415945|6.539268|7.743829|13.090153|53.358707| |1.761000|1.964132|3.036894|0.058653|2.429155|2.783081|4.414515|2.841718|2.466378|4.147277|7.672076|4.875171|7.506323|6.551084|7.850566|17.851745|36.858105| |2.044662|2.329491|3.695323|0.070391|2.988054|3.510175|5.903172|3.654930|3.074546|5.989007|10.594484|7.471651|12.414576|7.591316|6.572957|10.539724|12.434899|36.858105| |1.512399|1.682989|2.533192|0.049301|1.943793|2.142765|3.365114|2.326001|2.079074|2.914409|5.087920|3.517066|4.598195|5.486442|7.842834|18.956713|7.517636|5.355065|36.858105| |1.441708|1.602766|2.400266|0.047005|1.813537|1.986681|3.115809|2.205831|1.978311|2.644014|4.545276|3.211747|4.008035|5.108218|7.061651|11.590995|5.287465|4.271914|15.874221|73.516695| |1.462874|1.618999|2.402157|0.046441|1.856942|2.009681|3.092262|2.122413|1.945240|2.623916|4.653353|3.012453|3.726778|3.998163|4.962322|10.378965|6.332766|4.632676|12.406298|14.237879|36.858105| |1.479767|1.628547|2.422148|0.046795|1.899806|2.066206|3.144139|2.117108|1.938376|2.693316|4.894440|3.010914|3.768628|3.818562|4.702574|9.891203|7.206766|4.885151|8.791741|10.519146|17.461682|0.500000| |1.548726|1.732661|2.549564|0.048735|1.957760|2.081382|3.228007|2.237017|2.086864|2.686880|4.663246|3.083979|3.622135|3.784735|4.201642|7.947201|5.376364|4.596760|7.720659|10.836394|12.364394|0.244816|36.858105| |1.471376|1.630768|2.359751|0.045022|1.817229|1.896474|2.871057|1.989547|1.898934|2.333905|4.102141|2.569554|2.902395|2.931111|3.178007|5.579769|4.064722|3.603669|4.944946|7.540688|7.490177|0.187985|12.483875|36.858105| |1.317985|1.446090|2.081465|0.040087|1.592134|1.660936|2.487368|1.740515|1.662205|2.007224|3.542474|2.201945|2.481776|2.570226|2.855653|4.839060|3.374011|2.937125|4.434257|7.215246|6.542552|0.160081|7.644771|12.494292|36.858105| |1.270861|1.386292|2.011925|0.039023|1.546947|1.635584|2.442873|1.697417|1.598978|1.997890|3.568842|2.195978|2.541332|2.661351|3.096325|5.334416|3.627585|2.983464|5.044865|8.092292|7.911437|0.198535|6.647703|7.619114|12.516187|36.858105| |1.318334|1.445867|2.121705|0.041277|1.626867|1.743145|2.640487|1.837331|1.703159|2.192860|3.893110|2.474212|2.950584|3.209599|3.934971|7.068597|4.374436|3.436386|7.709892|12.210787|13.089701|0.253241|7.759701|6.528892|7.717342|13.055412|53.358707| |1.247293|1.356887|1.997198|0.039175|1.534263|1.657047|2.488283|1.727848|1.590149|2.073437|3.723373|2.321637|2.792909|3.062446|3.900277|6.620813|4.060237|3.136168|6.560139|11.049506|7.868487|0.195888|5.047384|4.427742|5.064402|7.924393|17.803208|36.858105| |1.142445|1.235947|1.803939|0.035520|1.375480|1.472475|2.191435|1.538929|1.429546|1.795425|3.210773|1.990250|2.322415|2.547494|3.112484|4.901464|3.095919|2.534758|4.544457|8.374533|5.103271|0.128999|3.900486|3.663980|4.460104|6.503852|10.624703|12.931055|36.858105| |1.069011|1.151636|1.671579|0.033005|1.268754|1.350623|1.997328|1.411935|1.319593|1.619068|2.889804|1.781261|2.040664|2.230584|2.654199|4.033695|2.597870|2.193110|3.591205|6.749798|3.913428|0.100511|3.221463|3.117623|3.811774|5.063774|7.391526|7.163833|16.057233|36.858105| |17.610632|8.726437|8.993043|0.171608|6.550720|4.434102|4.903525|3.576705|4.427707|2.911101|4.962244|2.465919|2.111661|1.862074|1.653402|2.237538|1.788976|2.073024|1.515465|2.551932|1.474344|0.041717|1.556276|1.485407|1.328313|1.283392|1.805758|1.256788|1.148769|1.073616|0.500000| |17.590762|8.967307|7.540390|0.147104|4.647090|3.454936|4.162430|3.235538|4.151011|2.514965|4.200956|2.227924|1.914959|1.730761|1.539052|2.077429|1.632562|1.873927|1.424606|2.423491|1.385686|0.038833|1.472243|1.409171|1.267643|1.217472|1.710551|1.187457|1.093105|1.026265|0.303301|0.500000| |17.553470|8.776185|9.362875|0.215292|5.508413|4.147202|4.766483|3.741175|4.649234|2.802942|4.669023|2.430012|2.057094|1.846374|1.626402|2.163985|1.701585|1.965123|1.466786|2.496538|1.409122|0.039553|1.479300|1.399146|1.260943|1.223217|1.734015|1.212701|1.113166|1.043325|0.299883|0.302795|0.500000| |8.853262|17.626262|12.437535|0.220704|5.587272|4.170882|5.453485|4.760534|7.424267|3.117126|4.918197|2.811657|2.308709|2.091781|1.806335|2.411015|1.877981|2.211427|1.644792|2.809820|1.575324|0.043674|1.689493|1.586623|1.414066|1.352894|1.924603|1.326418|1.213513|1.133811|0.172568|0.218403|0.208830|0.500000| |8.775451|17.624918|12.405489|0.182056|7.078438|4.651834|5.882544|4.602623|6.929223|3.366844|5.409884|2.938769|2.435407|2.151203|1.871145|2.549273|2.028327|2.412692|1.734649|2.921367|1.685461|0.047150|1.824266|1.728909|1.521255|1.446758|2.042254|1.397535|1.270334|1.181725|0.211120|0.209842|0.172137|0.301900|0.500000| |5.498004|7.019577|12.412637|0.181943|17.624991|8.820405|9.535935|5.816146|7.026685|5.082345|8.343100|3.887851|3.144048|2.597810|2.233218|3.060509|2.537495|3.145579|2.019090|3.323958|1.953441|0.055649|2.088551|1.952113|1.691343|1.628565|2.316410|1.589518|1.420371|1.307016|0.166532|0.123208|0.129736|0.145798|0.217361|0.500000| |6.961400|6.993679|12.319785|0.224850|17.660253|8.840680|7.689923|4.953486|5.619409|4.237664|7.299768|3.270078|2.712039|2.289150|1.995121|2.685258|2.195958|2.626691|1.774403|2.950850|1.706838|0.048700|1.786326|1.675984|1.481991|1.444779|2.055421|1.433232|1.292493|1.197200|0.234876|0.141137|0.175684|0.142462|0.176387|0.299944|0.500000| |3.715320|4.107309|7.601798|0.144763|8.950798|17.687075|12.540185|5.715567|4.969096|7.625886|15.115282|4.753396|3.876471|3.007125|2.572712|3.445852|2.938334|3.685744|2.186854|3.560850|2.070029|0.059948|2.126010|1.947100|1.701236|1.684484|2.434531|1.705656|1.508265|1.379458|0.111625|0.086063|0.099591|0.096939|0.111756|0.214975|0.211636|0.500000| |4.147212|4.559812|9.313647|0.207737|8.854182|17.471168|12.346622|7.015983|5.766789|6.379770|10.658796|4.449352|3.487638|2.858856|2.407900|3.119077|2.543480|3.111940|2.001436|3.333536|1.864034|0.053078|1.907567|1.739168|1.543036|1.530067|2.224639|1.569644|1.404050|1.293591|0.118182|0.093334|0.118895|0.110125|0.113571|0.173203|0.215928|0.302852|0.500000| |3.234000|4.148402|7.617418|0.144833|4.956168|5.684416|12.393431|17.681811|9.022923|7.106526|8.773694|7.579590|4.740190|4.135170|3.119818|3.941823|3.039644|3.955310|2.546682|4.326171|2.287653|0.062535|2.430014|2.125028|1.852252|1.800691|2.679473|1.838756|1.632675|1.493676|0.084520|0.079134|0.087938|0.114969|0.110853|0.130633|0.108976|0.127590|0.142742|0.500000| |3.698969|4.571403|9.275248|0.206387|5.738197|7.005790|12.346241|17.466350|8.853657|6.225239|8.455189|5.470983|3.838464|3.346549|2.658135|3.334187|2.590900|3.217963|2.158732|3.678781|1.959009|0.054264|2.033406|1.814885|1.610484|1.583700|2.336441|1.633479|1.465208|1.350806|0.095653|0.087351|0.105913|0.124887|0.112536|0.133147|0.129067|0.143273|0.206198|0.303214|0.500000| |4.749231|7.151558|12.357854|0.225300|5.620241|4.966961|7.690301|8.809822|17.624311|4.156685|6.053157|3.894297|2.973625|2.696290|2.227157|2.908002|2.241378|2.725292|1.955461|3.352977|1.825699|0.050119|1.958555|1.787123|1.580148|1.517703|2.199760|1.511743|1.370171|1.271320|0.112669|0.114909|0.127573|0.231432|0.171640|0.143605|0.126572|0.109176|0.129633|0.213524|0.215870|0.500000| |4.595759|7.105339|12.423091|0.181989|7.021701|5.825566|9.541234|8.821644|17.626689|5.000946|7.168636|4.491118|3.382891|2.934069|2.420634|3.253725|2.580078|3.247554|2.174093|3.652651|2.058326|0.056920|2.249716|2.055785|1.777184|1.690341|2.437633|1.652666|1.480899|1.363527|0.117463|0.110922|0.114038|0.186420|0.211722|0.211216|0.143520|0.130733|0.133479|0.216883|0.173345|0.299973|0.500000| |2.442196|2.863403|4.909829|0.097879|3.661422|4.662612|9.296875|6.674484|4.447955|9.001434|11.200298|17.499925|8.845457|7.228922|4.647135|5.347099|4.074778|5.482936|3.210346|5.396988|2.717097|0.074556|2.746375|2.307970|2.021722|2.027184|3.116228|2.179433|1.895214|1.710437|0.066330|0.060754|0.067389|0.077532|0.077743|0.097642|0.086338|0.118713|0.122786|0.225916|0.171763|0.110699|0.116781|0.500000| |2.553271|3.090915|5.191127|0.097361|3.906717|4.637285|9.621645|6.685074|4.942881|8.892737|10.814756|17.528126|8.827172|6.731485|4.532924|5.812835|4.594122|6.966986|3.552275|5.809454|3.088072|0.084174|3.300071|2.736546|2.310177|2.255268|3.439642|2.318392|1.994405|1.787154|0.069561|0.063980|0.068291|0.083104|0.087467|0.111465|0.089536|0.119683|0.112051|0.242854|0.146766|0.118701|0.144026|0.303619|0.500000| |2.047670|2.296567|3.751672|0.074182|3.020843|3.809085|6.394429|3.921875|3.075119|7.071351|13.085483|8.929492|17.543945|8.896440|6.842813|7.840507|6.803662|8.907256|4.097339|6.399572|3.386806|0.097604|3.179816|2.624301|2.291835|2.388922|3.745998|2.685873|2.246752|1.982497|0.057442|0.051539|0.056024|0.060758|0.063857|0.083363|0.074574|0.110288|0.099129|0.115346|0.101857|0.076313|0.084840|0.208943|0.174496|0.500000| |1.862381|2.107213|3.365099|0.067414|2.521148|2.987255|5.059937|3.616040|2.873887|4.645474|7.383470|6.882333|8.795709|17.518460|8.877896|7.650688|4.905697|5.509592|4.373336|7.655227|3.318765|0.088420|3.140631|2.522922|2.264590|2.349434|3.799820|2.727006|2.331998|2.075124|0.050967|0.047578|0.051388|0.057688|0.058085|0.069081|0.062447|0.080974|0.080214|0.115440|0.096952|0.075117|0.078576|0.216389|0.163473|0.215930|0.500000| |1.897015|2.184159|3.433397|0.066972|2.559015|2.925857|5.048011|3.640845|3.007286|4.531266|7.016166|6.993081|8.798980|17.508877|8.898452|9.453520|5.721616|6.775784|5.580258|9.611776|4.103064|0.104742|4.113656|3.120664|2.705822|2.731191|4.478441|3.033220|2.546599|2.237477|0.051832|0.048811|0.051478|0.059945|0.061486|0.072294|0.062616|0.079203|0.075796|0.120535|0.092428|0.078348|0.085744|0.184244|0.202968|0.173806|0.302077|0.500000| |1.616767|1.785044|2.779026|0.055327|2.155171|2.512381|3.974846|2.685590|2.262563|3.657346|6.551825|4.528587|6.828918|8.858860|17.503102|12.505276|7.117219|5.808950|6.053319|9.712942|4.290825|0.119072|3.574974|2.837452|2.593909|2.859386|4.825038|3.686133|2.979073|2.561180|0.045052|0.041633|0.044330|0.048193|0.049872|0.060100|0.054701|0.071547|0.066978|0.080675|0.071492|0.058636|0.063156|0.121065|0.111089|0.202891|0.215384|0.174124|0.500000| |1.551327|1.727166|2.650950|0.052569|2.003912|2.270018|3.628479|2.561327|2.199351|3.188311|5.436676|4.084505|5.499361|8.823958|17.714333|12.542468|5.702911|4.917422|7.728415|15.214742|4.768543|0.119507|4.024066|3.062884|2.839463|3.097382|5.467549|4.054367|3.307885|2.833549|0.042800|0.040295|0.042422|0.047265|0.048436|0.056252|0.050674|0.063228|0.060337|0.079122|0.067837|0.058020|0.061956|0.111661|0.108354|0.140307|0.212076|0.215975|0.301917|0.500000| |1.714095|1.887442|2.926814|0.057101|2.364948|2.747463|4.249293|2.701497|2.332750|4.014032|7.811720|4.480262|6.760297|5.754977|7.078784|12.486085|17.512371|8.845003|5.898263|7.988472|5.114705|0.166524|4.238105|3.434338|2.976284|3.276354|5.265548|3.828891|2.967948|2.512206|0.048621|0.044034|0.046293|0.049933|0.053720|0.067778|0.060089|0.081838|0.070715|0.078684|0.069633|0.058901|0.066770|0.107120|0.111977|0.200168|0.128996|0.132494|0.213322|0.144987|0.500000| |1.711890|1.901462|2.894055|0.055525|2.323403|2.597458|4.028958|2.604183|2.326043|3.639123|6.774994|4.067393|5.502322|4.904720|5.666076|12.367967|17.703032|8.885688|7.097996|8.750229|7.454539|0.272358|6.361237|4.902371|3.899872|4.182771|6.635462|4.323696|3.244892|2.700147|0.048527|0.044347|0.045645|0.050378|0.055093|0.068389|0.058748|0.076655|0.065533|0.076615|0.065682|0.058805|0.068463|0.095334|0.110811|0.140233|0.107910|0.128052|0.144706|0.127458|0.304184|0.500000| |2.082490|2.408627|3.772049|0.070847|2.988797|3.381376|5.765779|3.715681|3.214033|5.421393|8.925194|6.936888|8.838565|6.801793|5.735845|9.446100|8.885936|17.495320|5.427624|7.810957|4.847532|0.135369|5.324512|4.051017|3.176730|3.106279|4.830584|3.105954|2.530650|2.195476|0.058240|0.053346|0.055111|0.063956|0.070203|0.089095|0.072302|0.096184|0.082400|0.114780|0.088882|0.079473|0.097065|0.143405|0.213258|0.174295|0.139086|0.198504|0.133329|0.128327|0.174051|0.217062|0.500000| |2.164679|2.451875|3.909975|0.073885|3.286700|3.906137|6.369256|3.717333|3.165845|6.569371|12.933768|6.739623|8.797603|5.513097|4.926806|7.663562|8.881879|17.573659|4.265224|6.209912|3.973522|0.120760|3.990052|3.340633|2.730048|2.756395|4.162695|2.819950|2.317166|2.025515|0.061794|0.054760|0.057456|0.063557|0.070967|0.097417|0.080320|0.118893|0.093935|0.107039|0.090259|0.076455|0.093287|0.137685|0.170869|0.216394|0.123313|0.138705|0.130343|0.108284|0.216300|0.214743|0.301406|0.500000| |1.519751|1.706385|2.501995|0.047966|1.890832|2.000739|3.121933|2.211525|2.068446|2.564334|4.369670|2.995522|3.438895|3.763550|4.109447|7.224645|4.557700|4.098708|7.283570|11.874740|8.933083|0.174433|17.560227|8.853669|6.865954|5.818706|9.579805|4.725312|3.843454|3.234938|0.042110|0.040258|0.040422|0.046651|0.049739|0.055712|0.047858|0.056038|0.051251|0.067541|0.056059|0.054548|0.061800|0.075558|0.090318|0.083201|0.087953|0.118128|0.095292|0.114401|0.102381|0.137673|0.133043|0.097784|0.500000| |1.697192|1.918025|2.847673|0.053968|2.202524|2.351944|3.704791|2.535750|2.352629|3.122796|5.376940|3.616965|4.259767|4.260581|4.485432|8.555224|6.341905|5.809018|7.084151|9.679182|8.805691|0.213612|17.528161|8.821092|5.533931|4.953284|7.647469|4.165978|3.281841|2.768001|0.047433|0.044569|0.044828|0.051676|0.056394|0.065863|0.055226|0.066830|0.059082|0.076879|0.063034|0.060599|0.071225|0.086814|0.109590|0.100603|0.095551|0.130067|0.104791|0.113988|0.131074|0.211169|0.203771|0.137347|0.302281|0.500000| |1.507733|1.678804|2.406154|0.045658|1.839540|1.892565|2.864127|2.004661|1.942795|2.287826|3.974927|2.504612|2.740651|2.750063|2.875379|4.841739|3.557647|3.346120|4.126093|6.554405|5.472768|0.138798|8.842478|17.540322|8.794202|5.519288|6.669435|3.585102|3.103601|2.726879|0.042169|0.040293|0.039628|0.045505|0.049790|0.055271|0.047046|0.053603|0.048036|0.059562|0.050536|0.050964|0.059006|0.062601|0.075407|0.068354|0.066392|0.082660|0.071266|0.077266|0.084139|0.115096|0.106990|0.087163|0.215014|0.211098|0.500000| |1.492958|1.645958|2.383643|0.045398|1.860870|1.943715|2.911195|1.985243|1.896380|2.376661|4.250518|2.559034|2.900666|2.832631|3.065904|5.409212|4.207705|3.691929|4.509394|6.685482|6.704584|0.197590|8.845794|17.494992|8.857557|6.816036|7.723381|4.172660|3.424958|2.923006|0.042170|0.039641|0.039351|0.044128|0.048601|0.055792|0.047859|0.056090|0.049319|0.058205|0.050250|0.049182|0.057049|0.063279|0.074770|0.073880|0.067818|0.081829|0.077726|0.080287|0.100338|0.148178|0.112587|0.098232|0.173634|0.214956|0.302939|0.500000| |1.291160|1.419956|2.038223|0.039333|1.542594|1.604534|2.413043|1.710943|1.637532|1.932974|3.373116|2.141730|2.387529|2.526167|2.784520|4.584590|3.095025|2.753736|4.265679|7.366080|5.734303|0.132907|6.847544|8.854569|17.545491|8.914596|9.486713|4.723929|4.395391|3.864896|0.035955|0.034582|0.034373|0.038821|0.041400|0.045353|0.039838|0.045267|0.041564|0.050908|0.044094|0.043574|0.048561|0.055192|0.062864|0.060904|0.062336|0.075032|0.069572|0.078617|0.075856|0.095803|0.083429|0.070345|0.201591|0.139872|0.214456|0.173741|0.500000| |1.269419|1.384402|1.977106|0.038078|1.514486|1.567213|2.320118|1.622918|1.564599|1.853595|3.288572|1.999106|2.219297|2.263586|2.477859|4.091746|2.934340|2.604532|3.573007|5.871381|4.900140|0.129110|5.530850|8.806908|17.542207|8.888232|7.633905|4.196126|3.896334|3.476160|0.035628|0.034044|0.033685|0.037558|0.040543|0.044771|0.039397|0.044690|0.040491|0.047587|0.041810|0.041366|0.046481|0.051141|0.058096|0.057518|0.056088|0.065690|0.063582|0.068138|0.073488|0.093847|0.077555|0.068716|0.139874|0.123506|0.208488|0.215408|0.302097|0.500000| |1.186834|1.288058|1.860977|0.036254|1.423851|1.500653|2.227030|1.558439|1.473061|1.805951|3.223701|1.975595|2.258953|2.384635|2.761893|4.553402|3.071171|2.578197|4.201839|7.146512|5.725136|0.145726|4.955443|5.541408|8.888842|17.634144|12.555140|7.437232|7.649675|6.271168|0.033247|0.031679|0.031821|0.035026|0.037218|0.041439|0.037119|0.042809|0.039253|0.045813|0.040674|0.039068|0.043038|0.051279|0.056156|0.059551|0.059537|0.067811|0.071769|0.078125|0.078917|0.095194|0.073956|0.066600|0.129872|0.108694|0.123734|0.140061|0.217047|0.213938|0.500000| |1.277203|1.386734|2.014455|0.039057|1.564065|1.656770|2.453631|1.685281|1.587327|2.014321|3.649256|2.178991|2.532018|2.582963|2.999189|5.198151|3.725302|3.017709|4.612307|7.107638|7.077676|0.213162|5.810955|6.847944|8.851525|17.365332|12.262183|7.037654|5.632107|4.486383|0.036019|0.033936|0.034119|0.037381|0.040240|0.045818|0.040727|0.047823|0.042989|0.049233|0.043675|0.041621|0.046583|0.055533|0.061562|0.066989|0.063370|0.072318|0.078624|0.081389|0.095482|0.123112|0.085649|0.079082|0.133836|0.129863|0.139685|0.201051|0.173983|0.216078|0.302258|0.500000| |1.244596|1.347153|1.984610|0.038940|1.538595|1.666115|2.479076|1.702008|1.566266|2.073882|3.782694|2.281857|2.756189|2.925367|3.696870|6.305752|4.142028|3.135838|5.632486|8.856943|6.901266|0.204471|4.556731|4.174665|4.623900|7.139593|12.237649|17.415636|9.103080|6.010218|0.035008|0.032868|0.033607|0.036393|0.038554|0.044300|0.040089|0.048065|0.043830|0.049851|0.044730|0.041158|0.045164|0.059164|0.062621|0.074976|0.072518|0.078859|0.100600|0.102715|0.112620|0.125459|0.084441|0.080007|0.113252|0.108848|0.093899|0.115892|0.114347|0.111319|0.182899|0.211030|0.500000| |1.273850|1.388862|2.058881|0.040534|1.577344|1.719458|2.601818|1.811051|1.647695|2.187158|3.911613|2.489486|3.051168|3.466252|4.662826|7.712536|4.372486|3.333563|7.771340|14.010550|7.337852|0.178281|4.743449|3.915077|4.196320|5.714884|12.488248|17.660938|9.216307|6.058025|0.035564|0.033584|0.034529|0.037780|0.039539|0.045116|0.040813|0.048998|0.045430|0.053821|0.047753|0.043553|0.047285|0.065456|0.068422|0.081761|0.085874|0.094117|0.122247|0.139714|0.115414|0.122370|0.090365|0.081573|0.127213|0.113207|0.090708|0.102175|0.112453|0.097578|0.148283|0.144326|0.301698|0.500000| 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