Version2.0 2020-02-04T07:47:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+]1CCN(CC1)c2nc3ccc(cc3s2)OC(=O)c4ccc(cc4)S(=O)(=O)N(CC=C)CC=C C12489748 RHF 6-31G(d) (6D,7F) CC[NH+]1CCN(CC1)c2nc3ccc(cc3s2)OC(=O)c4ccc(cc4)S(=O)(=O)N(CC=C)CC=C C01[X(C26H31N4O4S2)] 195 C1 610 C=CCN(S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccc2c(c1)sc(n2)N1CC[NH+](CC1)CC)CC=C C=CCN(S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccc2c(c1)sc(n2)N1CC[NH+](CC1)CC)CC=C CC[NH+]1CCN(CC1)c2sc3cc(OC(=O)c4ccc(cc4)[S](=O)(=O)N(CC=C)CC=C)ccc3n2 InChIKey=LUHSDWRSSLZVME-UHFFFAOYSA-O InChI=1S/C26H30N4O4S2/c1-4-13-30(14-5-2)36(32,33)22-10-7-20(8-11-22)25(31)34-21-9-12-23-24(19-21)35-26(27-23)29-17-15-28(6-3)16-18-29/h4-5,7-12,19H,1-2,6,13-18H2,3H3/p+1 InChI=1/C26H30N4O4S2/c1-4-13-30(14-5-2)36(32,33)22-10-7-20(8-11-22)25(31)34-21-9-12-23-24(19-21)35-26(27-23)29-17-15-28(6-3)16-18-29/h4-5,7-12,19H,1-2,6,13-18H2,3H3/p+1/fC26H31N4O4S2/h28H/q+1 CC[NH+]1CCN(CC1)c2nc3ccc(cc3s2)OC(=O)c4ccc(cc4)S(=O)(=O)N(CC=C)CC=C C01[X(C26H31N4O4S2)] 195 C01 610 C=CCN(S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccc2c(c1)sc(n2)N1CC[NH+](CC1)CC)CC=C C=CCN(S(=O)(=O)c1ccc(cc1)C(=O)Oc1ccc2c(c1)sc(n2)N1CC[NH](CC1)CC)CC=C CC[NH]1CCN(CC1)c2sc3cc(OC(=O)c4ccc(cc4)[S](=O)(=O)N(CC=C)CC=C)ccc3n2 InChIKey=DEHFXEIALLQXAT-UHFFFAOYSA-N InChI=1S/C26H31N4O4S2/c1-4-13-30(14-5-2)36(32,33)22-10-7-20(8-11-22)25(31)34-21-9-12-23-24(19-21)35-26(27-23)29-17-15-28(6-3)16-18-29/h4-5,7-12,19,28H,1-2,6,13-18H2,3H3 InChI=1/C26H31N4O4S2/c1-4-13-30(14-5-2)36(32,33)22-10-7-20(8-11-22)25(31)34-21-9-12-23-24(19-21)35-26(27-23)29-17-15-28(6-3)16-18-29/h4-5,7-12,19,28H,1-2,6,13-18H2,3H3 3906.3007779357 -2314.5833728 1-A 48484.8174 139 471 610 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.0523 9.3601 13.9295 14.6669 26.7530 30.8939 37.1395 42.8385 49.3182 61.0508 73.1113 75.1223 80.6241 97.1557 105.3172 109.8850 117.2191 131.7039 156.4591 170.4428 191.5762 209.8896 226.1633 235.7265 249.6282 265.8888 268.3080 276.3544 294.2455 298.7175 315.4766 332.2895 343.2005 359.8909 370.6865 394.2722 408.2981 423.1691 445.5041 447.1796 455.1930 461.8532 470.2067 483.9893 487.3027 495.5654 518.7594 522.5370 525.2997 537.3867 573.5582 580.7105 590.7505 614.1819 647.1989 662.8697 680.3255 690.1659 693.3711 730.0358 755.0693 760.5854 769.4662 790.8240 802.0275 817.2776 827.0996 848.6089 862.5793 884.6256 904.2008 911.9685 924.5546 958.0854 965.3776 966.7750 976.9496 986.4701 987.5885 998.3434 1009.6966 1013.8034 1018.2131 1035.7782 1039.2011 1091.7982 1092.5370 1092.6410 1094.7533 1113.9188 1116.7442 1127.3314 1131.0285 1132.4513 1132.8565 1145.2145 1147.4160 1150.9781 1163.0249 1169.6958 1189.6148 1195.7867 1197.4534 1210.4506 1222.2342 1223.0997 1251.6856 1266.0232 1283.5207 1294.2999 1294.5571 1306.2740 1307.8428 1312.9416 1316.7719 1337.4411 1347.0863 1374.1499 1394.4769 1405.6800 1416.9404 1417.7483 1418.7324 1433.0314 1437.8761 1439.0599 1452.9526 1470.0360 1480.5522 1493.3090 1494.1131 1502.7550 1506.5076 1514.6328 1533.7364 1544.0137 1555.1056 1560.5113 1574.3409 1577.7831 1582.0342 1589.4634 1596.4717 1599.6111 1600.4080 1625.3613 1633.6765 1638.3342 1639.1473 1639.8352 1643.6251 1645.3587 1645.5766 1651.8639 1661.1777 1675.3527 1768.0083 1772.3531 1777.7362 1811.7633 1815.8239 1875.8629 1878.0808 2014.7200 3165.5600 3177.8901 3223.8554 3251.8906 3260.2579 3272.3079 3281.1112 3288.1308 3296.2218 3305.9408 3313.9111 3319.6943 3325.3696 3327.5511 3332.9267 3335.8437 3342.2040 3345.1385 3350.1180 3359.1265 3365.8210 3394.5559 3405.3987 3409.6634 3411.2430 3412.3159 3412.8843 3417.5834 3420.3858 3427.3238 3677.0387 4.7111 5.0848 5.6349 4.7280 4.9401 4.3006 4.4933 6.0657 3.8210 4.3932 4.7203 3.0330 6.0946 2.3495 4.2391 3.1333 4.5068 3.4554 3.9613 3.9653 4.7060 5.7136 2.5303 4.5812 3.4161 1.7590 3.3015 3.0048 4.2108 2.6239 4.6030 5.4195 5.1563 5.5584 2.8161 5.2307 2.8044 3.7491 3.9963 1.9176 2.9340 6.1195 4.5065 3.2969 6.1725 2.5289 2.9358 5.2597 4.3691 3.8989 2.4200 6.1136 2.8452 4.5646 4.6881 3.7657 4.6854 6.1971 3.9034 5.0859 2.0039 7.1086 3.9337 5.8165 5.0756 4.4156 1.8378 3.6122 4.2649 1.8248 2.3021 1.7387 2.4698 2.1747 2.4191 1.2481 1.7149 1.4343 3.2032 2.4993 2.6012 2.5975 1.7348 2.7576 2.1099 1.3176 2.3299 1.3750 1.3250 3.3027 1.3566 1.3609 2.0114 1.2801 1.9983 1.8966 1.2217 2.2059 2.4091 1.7871 4.1599 2.4251 2.1751 3.2781 1.7915 2.1793 1.8608 5.8688 2.0384 2.4477 2.8960 1.5599 1.8594 1.2087 3.1666 2.5324 2.1842 2.0913 2.5836 1.4150 1.8787 1.2409 2.4896 1.3002 1.2857 2.4801 1.3497 6.4547 1.2611 1.2605 1.3321 1.2910 1.6717 1.2764 1.3513 1.3851 2.7474 1.2581 2.1779 1.7326 1.2494 1.3038 1.1916 1.4889 1.2127 1.0970 1.0686 1.0829 1.0930 1.0795 1.0883 1.0921 2.6060 1.1541 1.1053 2.2688 6.6002 7.3292 9.6057 5.4692 6.5390 4.2019 4.2271 12.9692 1.0750 1.0753 1.0408 1.0689 1.0620 1.0611 1.0612 1.0658 1.0965 1.1058 1.1042 1.0918 1.0701 1.0624 1.0877 1.1108 1.0945 1.1118 1.0916 1.1101 1.0955 1.0906 1.0905 1.0972 1.1152 1.1163 1.0905 1.0948 1.0960 1.0958 1.0780 0.0001 0.0003 0.0006 0.0006 0.0021 0.0024 0.0037 0.0066 0.0055 0.0096 0.0149 0.0101 0.0233 0.0131 0.0277 0.0223 0.0365 0.0353 0.0571 0.0679 0.1018 0.1483 0.0763 0.1500 0.1254 0.0733 0.1400 0.1352 0.2148 0.1379 0.2699 0.3526 0.3578 0.4242 0.2280 0.4791 0.2754 0.3956 0.4673 0.2259 0.3582 0.7691 0.5870 0.4550 0.8636 0.3659 0.4655 0.8461 0.7103 0.6634 0.4691 1.2147 0.5850 1.0145 1.1570 0.9749 1.2777 1.7392 1.1057 1.5970 0.6731 2.4229 1.3722 2.1432 1.9236 1.7377 0.7407 1.5326 1.8697 0.8414 1.1089 0.8520 1.2439 1.1761 1.3283 0.6873 0.9644 0.8224 1.8407 1.4677 1.5625 1.5730 1.0597 1.7431 1.3425 0.9254 1.6386 0.9672 0.9356 2.4145 0.9968 1.0190 1.5160 0.9673 1.5110 1.4655 0.9477 1.7217 1.9199 1.4406 3.4685 2.0431 1.8376 2.8299 1.5768 1.9208 1.7176 5.5422 1.9785 2.4159 2.8595 1.5683 1.8739 1.2276 3.2349 2.6689 2.3353 2.3267 2.9600 1.6474 2.2223 1.4696 2.9525 1.5731 1.5662 3.0260 1.6788 8.2183 1.6288 1.6562 1.7521 1.7177 2.2353 1.7252 1.8729 1.9456 3.9146 1.8051 3.1804 2.5412 1.8423 1.9407 1.7893 2.2446 1.8300 1.7076 1.6804 1.7125 1.7302 1.7103 1.7322 1.7419 4.1579 1.8554 1.7971 3.7520 12.1556 13.5646 17.8860 10.5773 12.7031 8.7116 8.7845 31.0166 6.3470 6.3980 6.3733 6.6600 6.6509 6.6942 6.7312 6.7895 7.0190 7.1204 7.1448 7.0890 6.9721 6.9308 7.1187 7.2827 7.2031 7.3302 7.2184 7.3802 7.3120 7.4044 7.4508 7.5153 7.6456 7.6584 7.4837 7.5337 7.5547 7.5841 8.5878 1.2395 1.4814 2.1356 0.6187 0.1527 0.5824 0.7562 0.1075 0.0616 0.7155 2.5612 1.4041 3.4607 0.1060 1.8314 1.6666 4.0062 6.0858 0.6440 4.8605 1.4145 2.0720 1.6515 1.2992 0.9577 0.3298 0.2724 0.8340 1.2652 0.7002 0.2179 1.7842 7.7384 0.6849 12.6155 14.6757 5.2980 16.4748 3.7703 1.1717 0.1459 2.8373 4.4430 3.1514 10.5285 1.9540 1.3055 22.8057 6.1416 31.5022 7.7701 4.0291 38.6983 0.9618 41.6695 34.9155 7.5778 18.8160 151.5408 14.9052 17.3824 26.1296 36.3201 6.1542 22.4604 7.8470 5.6106 179.1540 130.1278 23.7335 9.0483 4.0196 16.4930 7.8060 25.0992 0.6744 5.7787 1.6141 16.1975 92.1884 18.2046 40.6092 99.1023 35.0879 21.5920 83.3060 58.0584 4.7480 20.2617 40.2315 0.1190 4.0331 25.4854 59.1460 4.5841 14.3716 18.5659 8.0078 6.0773 64.6436 166.3172 78.1825 74.5790 97.2143 18.4402 65.7400 7.2658 218.7110 36.2001 55.3762 26.0485 60.4007 30.6054 23.2885 9.8102 124.4964 6.0002 392.0732 90.8177 3.0086 654.8293 7.0516 689.5034 7.3470 0.5989 21.4320 14.6913 190.8844 15.9820 9.1651 21.5856 40.6548 61.5879 5.9774 66.8144 2.1657 70.0831 5.7661 32.0230 112.5404 100.4206 32.2307 3.0817 2.3559 27.3336 1.5653 12.3851 26.2221 8.6812 12.6635 15.1701 5.6413 269.8192 15.7266 16.4930 1.4984 9.9291 12.1205 258.2232 77.1902 109.2134 1.9553 0.5700 347.0728 26.2215 47.5259 7.3348 28.0664 10.4934 0.9707 7.5402 1.7966 9.8026 12.7770 5.5200 2.9631 18.5420 14.2922 2.9697 5.2654 7.9548 9.7998 4.2113 4.7478 1.5220 3.9355 0.1123 3.5394 26.6593 9.6532 1.0991 3.2288 0.4591 1.3607 36.6326 2.7078 1.0793 0.5172 0.8214 1.9772 1.5930 4.6066 1.0204 1.6830 6.4179 0.4908 0.1254 1.3964 3.4101 0.3328 7.4036 0.8109 3.4394 0.8129 2.2774 2.1868 1.0793 0.3587 1.2460 3.1002 0.3906 0.6217 2.1251 0.3813 2.5674 2.4188 2.7462 3.9688 2.0322 0.6062 1.5020 2.8893 0.5908 0.5908 3.0549 0.0248 1.8771 2.5393 1.1488 4.1450 3.3232 0.9102 2.1343 4.1208 0.6149 1.9279 6.9929 6.2561 3.9948 1.8660 3.6402 3.9615 10.1121 2.9078 2.1345 2.8325 6.8604 0.2125 24.8129 7.6507 9.1577 5.0378 0.7064 3.0005 1.6268 6.0636 1.1102 13.1102 1.4239 8.1004 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14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 4497.5676 85532.5609 86234.8764 0.99999 -0.00340 -0.00093 0.00339 0.99998 -0.00543 0.00095 0.00542 0.99998 1 0.01926 0.00101 0.00100 0.40127 0.02110 0.02093 10.15 13.47 20.04 21.10 38.49 44.45 53.44 61.64 70.96 87.84 105.19 108.08 116.00 139.79 151.53 158.10 168.65 189.49 225.11 245.23 275.64 301.98 325.40 339.16 359.16 382.55 386.04 397.61 423.35 429.79 453.90 478.09 493.79 517.80 533.34 567.27 587.45 608.85 640.98 643.39 654.92 664.50 676.52 696.35 701.12 713.01 746.38 751.81 755.79 773.18 825.22 835.51 849.96 883.67 931.17 953.72 978.84 992.99 997.61 1050.36 1086.38 1094.31 1107.09 1137.82 1153.94 1175.88 1190.01 1220.96 1241.06 1272.78 1300.94 1312.12 1330.23 1378.47 1388.96 1390.97 1405.61 1419.31 1420.92 1436.39 1452.73 1458.64 1464.98 1490.25 1495.18 1570.85 1571.92 1572.07 1575.11 1602.68 1606.75 1621.98 1627.30 1629.34 1629.93 1647.71 1650.88 1656.00 1673.33 1682.93 1711.59 1720.47 1722.87 1741.57 1758.52 1759.77 1800.90 1821.53 1846.70 1862.21 1862.58 1879.44 1881.69 1889.03 1894.54 1924.28 1938.16 1977.10 2006.34 2022.46 2038.66 2039.82 2041.24 2061.81 2068.78 2070.49 2090.47 2115.05 2130.18 2148.54 2149.70 2162.13 2167.53 2179.22 2206.70 2221.49 2237.45 2245.23 2265.13 2270.08 2276.19 2286.88 2296.97 2301.48 2302.63 2338.53 2350.50 2357.20 2358.37 2359.36 2364.81 2367.30 2367.62 2376.66 2390.06 2410.46 2543.77 2550.02 2557.77 2606.72 2612.57 2698.95 2702.14 2898.73 4554.53 4572.28 4638.41 4678.75 4690.78 4708.12 4720.79 4730.89 4742.53 4756.51 4767.98 4776.30 4784.47 4787.60 4795.34 4799.53 4808.69 4812.91 4820.07 4833.03 4842.67 4884.01 4899.61 4905.75 4908.02 4909.56 4910.38 4917.14 4921.17 4931.15 5290.44 0.589752 0.622429 0.623373 0.517237 -2313.993620 -2313.960944 -2313.960000 -2314.066136 3.559819D-04 MUNgauss RevisionA2.0 retrievium 04-Feb-2020 DUDE CC[NH+]1CCN(CC1)c2nc3ccc(cc3s2)OC(=O)c4ccc(cc4)S(=O)(=O)N(CC=C)CC=C C12489748 RHF 6-31G(d) (6D,10F) C1 527.178674 |X|Y|Z| 40.221407 35.319829 213.584751 67.196816 23 6 7 8 16 18 3 1 1 |36.858105| |12.523291|36.858105| |7.536079|12.636949|53.358707| |7.221491|9.315510|25.674697|0.500000| |6.125893|7.561094|17.237481|0.258782|36.858105| |4.254999|4.943255|10.419467|0.198115|12.543797|36.858105| |3.617695|4.462878|9.068233|0.166827|7.847928|13.149360|53.358707| |3.804692|4.967888|10.413404|0.197982|6.626315|7.893183|17.915216|36.858105| |4.955343|7.663666|17.266410|0.258991|7.731075|6.634273|10.690558|12.534207|36.858105| |2.877097|3.366558|6.112099|0.118466|5.181580|7.937955|18.642869|7.788822|5.138722|36.858105| |2.653485|2.968492|5.186522|0.102864|4.598947|7.030486|11.119763|5.354431|4.008408|15.060941|53.358707| |2.227234|2.463577|4.107445|0.081948|3.458571|4.652403|7.356070|4.146932|3.230609|8.691606|18.640428|36.858105| |1.992747|2.148145|3.476098|0.070013|2.923362|3.740616|5.429921|3.224019|2.650994|5.417208|10.505553|13.722684|36.858105| |1.753903|1.886665|2.986777|0.060194|2.440834|2.983027|4.389384|2.747356|2.303791|4.175326|7.017041|7.995218|13.813985|36.858105| |1.694507|1.845773|2.909978|0.058405|2.322038|2.793084|4.279222|2.762145|2.303558|4.079228|6.265339|6.920548|7.927445|13.702868|36.858105| |1.825475|2.026797|3.236296|0.064533|2.551035|3.096608|5.011777|3.258334|2.640859|4.985833|7.106124|7.834842|6.763122|7.871276|13.825350|36.858105| |2.102445|2.365536|3.896144|0.077257|3.128507|3.992438|6.811873|4.167938|3.212305|7.803264|11.037344|13.695693|7.934676|6.954955|8.096546|13.770322|36.858105| |2.408207|2.824407|4.790754|0.093219|3.700879|4.698344|9.446445|6.075128|4.286246|10.810423|10.017897|7.412666|4.882749|4.257441|4.709572|6.732350|10.865066|388.023441| |1.511195|1.633727|2.529042|0.050903|1.989821|2.325177|3.504062|2.331457|1.993631|3.168458|4.703428|4.616862|5.244698|8.073302|13.846656|7.953000|5.249633|25.948929|73.516695| |1.432742|1.552570|2.373537|0.047392|1.858024|2.126111|3.211889|2.158036|1.879467|2.835224|4.090690|3.821014|4.130870|5.606797|8.074041|6.301552|4.408685|23.574521|25.200546|36.858105| |1.479414|1.615245|2.464720|0.048723|1.934465|2.199846|3.362432|2.247209|1.966898|2.966065|4.208566|3.885260|4.022904|5.102152|7.071439|6.385787|4.594932|25.157430|15.222490|16.085311|73.516695| |1.291312|1.387649|2.096375|0.042072|1.626176|1.832280|2.724763|1.862697|1.647616|2.336505|3.345927|2.987796|3.238408|4.169762|5.213595|4.337204|3.324114|18.970409|14.394995|12.793261|14.279199|36.858105| |1.218063|1.308766|1.956545|0.039097|1.510676|1.676110|2.487367|1.713996|1.538679|2.093463|2.953777|2.560868|2.712442|3.309381|3.958515|3.535968|2.838578|16.962715|9.353473|7.733077|12.020377|13.690568|36.858105| |1.121406|1.197665|1.777204|0.035642|1.364657|1.500851|2.205432|1.533855|1.389727|1.827882|2.572159|2.183812|2.311987|2.750983|3.156396|2.858975|2.378055|14.578523|7.124430|5.090599|8.070040|7.933856|13.801664|36.858105| |1.090041|1.158096|1.719810|0.034703|1.318426|1.453396|2.120303|1.478914|1.337676|1.753884|2.483136|2.103201|2.251436|2.684014|3.020300|2.695335|2.260676|13.823110|6.853356|4.487724|6.785340|6.910362|7.972927|13.719500|36.858105| |1.140664|1.210680|1.810810|0.036700|1.391643|1.549859|2.258953|1.569721|1.406153|1.886873|2.698410|2.316596|2.520091|3.076387|3.468490|2.996902|2.479324|14.826213|8.214061|5.036580|7.100093|7.935999|6.854667|7.889819|13.761979|36.858105| |1.243225|1.326249|2.002368|0.040520|1.548105|1.745891|2.566080|1.765227|1.561681|2.184567|3.151175|2.784335|3.068698|3.929610|4.638152|3.810887|3.017799|17.367146|12.370171|7.561382|9.378910|13.728070|7.905822|6.848766|7.966770|13.750830|36.858105| |0.989925|1.045791|1.539947|0.031142|1.174328|1.281111|1.852934|1.303072|1.191439|1.508875|2.125447|1.761823|1.871495|2.163197|2.363226|2.158431|1.869751|11.733349|5.063429|3.160544|5.022604|4.196554|4.728715|6.943413|10.685917|6.940633|4.722185|388.023441| |0.975610|1.027668|1.514759|0.030785|1.151540|1.258315|1.813893|1.281107|1.169216|1.474287|2.079080|1.717433|1.826621|2.101307|2.276257|2.079936|1.813578|11.405685|4.836081|2.892661|4.541301|3.714919|3.849182|4.971476|7.390936|6.570954|4.456789|94.721325|73.516695| |0.963898|1.020887|1.496653|0.030188|1.136008|1.231270|1.787675|1.264600|1.162499|1.446816|2.017577|1.658939|1.735572|1.978682|2.177589|2.036546|1.775111|11.329537|4.573543|2.901380|4.770814|3.711705|4.421933|6.450326|7.375166|5.019623|3.866849|94.798009|13.595933|73.516695| |0.958453|1.007555|1.478451|0.029864|1.133688|1.232382|1.766427|1.234638|1.135392|1.432110|2.031644|1.674613|1.797298|2.064535|2.197328|1.987765|1.747550|10.958657|4.621771|2.860269|4.619416|3.646274|4.069781|5.500558|6.992700|5.322471|3.992121|83.371660|13.691051|13.696531|53.358707| |0.949000|0.992580|1.457337|0.029532|1.120657|1.220273|1.735306|1.209470|1.112016|1.405404|2.009590|1.652876|1.794769|2.057904|2.143282|1.916560|1.700401|10.613475|4.467431|2.671118|4.271947|3.307142|3.451296|4.244048|5.393794|4.884718|3.765999|50.646176|11.865687|8.895318|17.659562|36.858105| |0.888003|0.925545|1.352885|0.027478|1.035760|1.121645|1.588616|1.114031|1.029559|1.275808|1.816341|1.476754|1.590686|1.793230|1.855870|1.684561|1.514539|9.586169|3.784117|2.227341|3.611339|2.662578|2.757197|3.290726|4.000513|3.727833|2.996468|38.607871|10.272912|7.621525|10.481815|12.657568|36.858105| |0.851567|0.884255|1.287899|0.026158|0.987093|1.064453|1.499055|1.050544|0.975677|1.197317|1.706415|1.377034|1.483611|1.654808|1.692045|1.541220|1.401202|8.918397|3.393544|1.984903|3.258025|2.310343|2.384457|2.759813|3.195142|3.023369|2.546290|28.476195|7.341340|6.053034|7.359180|7.643285|14.449503|36.858105| |0.924643|0.971609|1.418157|0.028553|1.087454|1.173851|1.680097|1.174803|1.088142|1.353255|1.911942|1.562694|1.665183|1.887749|2.000176|1.832695|1.628437|10.328179|4.118817|2.577907|4.299617|3.162491|3.655238|4.771722|5.126526|3.977912|3.257693|50.056264|8.979753|11.851198|17.667748|7.587259|5.966464|4.933289|36.858105| |0.950185|0.998014|1.456464|0.029232|1.123924|1.212891|1.731510|1.201588|1.114638|1.396473|1.983157|1.623153|1.741219|1.975863|2.073199|1.884715|1.679779|10.593374|4.243915|2.683424|4.539087|3.229502|3.759647|4.627823|4.581331|3.703198|3.210064|36.202223|6.922546|8.498440|10.516205|6.051390|4.646435|4.204359|12.654620|36.858105| |0.915778|0.957954|1.392329|0.027936|1.076329|1.155941|1.639102|1.136191|1.059922|1.313632|1.868615|1.515985|1.627716|1.823763|1.883182|1.718020|1.552982|9.856486|3.776450|2.345816|4.014677|2.717273|3.059593|3.541697|3.512093|3.016846|2.701152|27.270911|5.635640|6.487808|7.332605|4.942392|4.174162|4.123006|7.629102|14.451040|36.858105| |17.610014|8.727232|8.995375|0.171510|6.551447|4.435638|4.907896|3.580897|4.429412|2.898811|3.719858|2.280441|2.057912|1.798831|1.719477|1.836511|2.118364|16.938386|2.719596|1.449295|2.662062|1.304158|1.229272|1.130537|1.098502|1.149956|1.254726|7.087215|1.743617|1.721531|1.318663|0.961211|0.898242|0.862772|0.935420|0.964650|0.931713|0.500000| |17.590705|8.966693|7.541157|0.147041|4.647727|3.454752|4.164688|3.238214|4.150616|2.506959|3.160947|1.990984|1.798120|1.602545|1.556693|1.671663|1.899456|15.372617|2.490790|1.337119|2.456770|1.212587|1.150283|1.063314|1.033073|1.076682|1.167597|6.702847|1.650748|1.636420|1.243556|0.903798|0.847959|0.814515|0.883924|0.907779|0.876489|0.303291|0.500000| |17.553378|8.776512|9.364263|0.215139|5.509063|4.146143|4.766001|3.744895|4.647807|2.820225|3.566872|2.204408|1.980628|1.743635|1.680970|1.805442|2.075154|16.784265|2.668730|1.414533|2.578277|1.278870|1.201847|1.109065|1.083194|1.137659|1.238821|7.005112|1.733024|1.701558|1.296463|0.945456|0.886267|0.849701|0.916175|0.938810|0.904196|0.299889|0.302776|0.500000| |8.852964|17.626176|12.441181|0.220760|5.589901|4.169006|5.456015|4.765316|7.419533|3.110095|3.699602|2.302873|2.010185|1.788035|1.769001|1.951922|2.254249|19.325795|2.803899|1.503135|2.775972|1.350023|1.276570|1.171721|1.133884|1.183533|1.292314|7.302017|1.796720|1.787072|1.342024|0.969495|0.906091|0.864897|0.950741|0.972965|0.932673|0.172569|0.218357|0.208833|0.500000| |8.775232|17.624927|12.407800|0.182031|7.081231|4.651597|5.892670|4.608055|6.935168|3.313059|3.975917|2.443804|2.132460|1.879750|1.844275|2.026846|2.358484|20.025860|2.905056|1.565758|2.919825|1.396457|1.323814|1.209084|1.163042|1.210361|1.325965|7.462239|1.825079|1.825686|1.378687|0.995282|0.926592|0.885733|0.980267|1.010098|0.970524|0.211116|0.209833|0.172136|0.301913|0.500000| |5.498187|7.022758|12.421704|0.181969|17.628086|8.830953|9.580602|5.829913|7.046986|4.918380|5.918534|3.362114|2.849872|2.403893|2.302859|2.535488|3.086970|26.038766|3.518671|1.871489|3.505569|1.633561|1.528431|1.377225|1.321482|1.386189|1.541326|8.363520|2.039012|2.029670|1.548615|1.120695|1.033993|0.986014|1.096325|1.137377|1.090419|0.166513|0.123215|0.129741|0.145868|0.217464|0.500000| |6.958147|6.992501|12.321295|0.224655|17.660955|8.855681|7.702576|4.962810|5.625316|4.223559|5.446798|3.100462|2.718528|2.282011|2.143952|2.306187|2.767526|22.239402|3.300451|1.732443|3.184357|1.530586|1.423764|1.294049|1.255828|1.325927|1.467043|7.998459|1.965389|1.930728|1.484920|1.083227|1.004256|0.960389|1.047279|1.083107|1.041305|0.234770|0.141093|0.175604|0.142449|0.176367|0.299916|0.500000| |3.720284|4.112371|7.605496|0.144678|8.974757|17.676588|12.518161|5.710499|4.972718|7.519629|10.849728|5.102929|4.198170|3.242723|2.945774|3.189943|4.111539|31.769472|4.320181|2.216566|4.084305|1.899077|1.732588|1.545861|1.494879|1.595803|1.804507|9.338142|2.285939|2.235436|1.729443|1.261424|1.155304|1.097977|1.211076|1.258754|1.202146|0.111855|0.086172|0.099665|0.097006|0.111955|0.215905|0.212495|0.500000| |4.134750|4.542896|9.257399|0.206106|8.824180|17.468043|12.290696|6.994857|5.741392|6.708040|8.692890|4.411496|3.653581|2.923864|2.715722|2.969506|3.760034|30.327469|4.046988|2.056869|3.724943|1.789041|1.627496|1.465945|1.432131|1.536736|1.726633|9.007698|2.226967|2.156439|1.656650|1.210848|1.116513|1.059786|1.154374|1.187710|1.131863|0.117940|0.093103|0.118487|0.109720|0.113262|0.173007|0.215635|0.303443|0.500000| |3.236063|4.152205|7.625917|0.144976|4.966590|5.687019|12.408025|17.641634|9.040154|7.219616|6.684411|4.092754|3.159592|2.765275|2.870434|3.493474|4.424663|51.056961|4.324494|2.271505|4.237915|1.952309|1.801476|1.605505|1.539831|1.629314|1.836147|9.612560|2.356843|2.342684|1.731774|1.238730|1.139082|1.070380|1.210623|1.235017|1.162815|0.084593|0.079175|0.087968|0.115034|0.110997|0.130989|0.109137|0.127571|0.142454|0.500000| |3.696684|4.567875|9.264740|0.206292|5.738239|6.992831|12.281599|17.454424|8.833528|6.600864|6.782674|3.943836|3.138406|2.685363|2.683279|3.119030|3.911968|37.682469|4.055544|2.086544|3.800432|1.818387|1.663813|1.498216|1.457654|1.556762|1.745770|9.165921|2.268953|2.216328|1.659234|1.199159|1.108137|1.044814|1.154962|1.175978|1.111707|0.095615|0.087299|0.105843|0.124786|0.112471|0.133179|0.129055|0.142918|0.205031|0.302731|0.500000| |4.745732|7.149544|12.354570|0.225049|5.626435|4.963971|7.696334|8.827444|17.627842|4.178456|4.588029|2.828436|2.366951|2.097639|2.117658|2.418861|2.864152|26.702870|3.307345|1.760973|3.260704|1.560254|1.463279|1.330157|1.283721|1.346649|1.485873|8.178237|2.012229|2.001013|1.487774|1.069611|0.994310|0.942372|1.047890|1.068674|1.016050|0.112638|0.114831|0.127405|0.231189|0.171815|0.143888|0.126590|0.109189|0.129022|0.213964|0.215417|0.500000| |4.593398|7.095972|12.419785|0.181946|7.043419|5.835865|9.594781|8.839533|17.630404|4.884829|5.221608|3.150917|2.594277|2.272100|2.285553|2.625964|3.170134|30.130598|3.526693|1.894331|3.568739|1.656070|1.558254|1.403689|1.341441|1.401067|1.555334|8.489160|2.070888|2.078534|1.551320|1.112183|1.027950|0.974680|1.097264|1.127877|1.073381|0.117493|0.110837|0.113963|0.185914|0.211622|0.212233|0.143768|0.131120|0.133245|0.217568|0.173205|0.299851|0.500000| |2.021745|2.142908|3.450363|0.069874|2.956941|3.771208|5.143179|3.038793|2.555175|4.814837|9.475720|8.909944|17.745576|8.897933|5.631976|4.896875|5.643479|28.805732|7.528365|3.471991|6.006157|2.850337|2.433042|2.115355|2.077374|2.314247|2.751708|12.487526|3.059781|2.890055|2.324350|1.723058|1.536866|1.445020|1.588136|1.666381|1.573129|0.058642|0.050549|0.055966|0.055228|0.058926|0.079489|0.078089|0.121466|0.103830|0.080712|0.082878|0.063289|0.069174|0.500000| |1.629447|1.731596|2.703081|0.054675|2.203460|2.635094|3.773835|2.399537|2.057205|3.428004|5.643335|5.660472|8.909107|17.746008|8.959394|5.642293|4.997317|24.419638|13.282227|5.367690|8.331520|4.266509|3.359715|2.833798|2.812574|3.272027|4.172900|16.106325|3.920281|3.625150|2.985273|2.219892|1.918824|1.772521|1.990748|2.097089|1.939788|0.046573|0.041580|0.045081|0.045625|0.047926|0.060319|0.058084|0.079724|0.072368|0.066665|0.065605|0.052444|0.056397|0.213031|0.500000| |1.739308|1.940158|3.060150|0.060921|2.360305|2.788605|4.544374|3.081576|2.533817|4.292288|5.756286|5.587069|4.898763|5.616787|8.916955|17.769675|8.838630|43.957871|12.789012|6.490656|12.089295|4.550485|3.784575|3.032313|2.817228|3.087613|3.897532|15.956127|3.824903|3.812423|2.764367|1.929763|1.697957|1.544916|1.874653|1.910793|1.728333|0.048244|0.044566|0.047733|0.052468|0.054023|0.065519|0.059223|0.078307|0.074264|0.094251|0.081844|0.065463|0.070423|0.106639|0.124328|0.500000| |1.242812|1.341319|2.000811|0.039742|1.546243|1.707474|2.548433|1.753116|1.580460|2.140109|2.993931|2.580864|2.687702|3.215609|3.854464|3.564483|2.887528|17.488117|8.568601|7.231929|13.527058|8.929541|17.757956|8.919078|5.656011|4.945820|5.642631|27.762857|5.732307|6.856121|4.757747|2.988240|2.451172|2.163860|3.310102|3.495076|2.914377|0.034850|0.032637|0.033906|0.036323|0.037890|0.043772|0.040330|0.049060|0.045661|0.051410|0.046848|0.041665|0.044804|0.066806|0.088838|0.107226|0.500000| |1.075710|1.148248|1.693191|0.033887|1.296388|1.413603|2.073508|1.448540|1.323635|1.701230|2.377250|1.989988|2.084570|2.426032|2.744739|2.544809|2.160706|13.525631|5.931398|4.143132|6.974201|5.640973|8.920999|17.755368|8.904655|5.630669|4.942871|47.210597|8.135495|13.021082|7.480623|4.037121|3.218310|2.730282|5.260357|5.053828|3.787766|0.030108|0.028432|0.029494|0.031255|0.032284|0.036469|0.034185|0.040373|0.038258|0.042144|0.039203|0.035285|0.037274|0.053386|0.068953|0.075157|0.214185|0.500000| |1.106173|1.168656|1.745320|0.035535|1.337919|1.487928|2.153578|1.502891|1.348889|1.787337|2.560093|2.175360|2.371307|2.849392|3.126640|2.721548|2.298780|13.878595|7.105028|4.091769|5.926215|5.642620|4.946736|5.632291|8.929960|17.765790|8.901088|47.201199|13.559679|8.265612|7.071918|5.178464|4.065221|3.236927|3.776027|3.421638|2.852714|0.030960|0.029023|0.030754|0.031772|0.032339|0.036850|0.035559|0.042465|0.041260|0.043139|0.041684|0.035995|0.037160|0.061226|0.084786|0.077098|0.107477|0.124135|0.500000| |1.289795|1.373421|2.087147|0.042450|1.617067|1.841976|2.699403|1.850740|1.622969|2.317253|3.382599|3.025290|3.400766|4.461420|5.192593|4.098340|3.239870|18.252808|14.058610|6.944984|8.629303|8.906062|5.632524|4.943620|5.664390|8.936303|17.770743|27.779848|6.945354|5.776081|4.649554|3.373797|2.770489|2.392262|2.826620|2.794339|2.419241|0.036171|0.033524|0.035842|0.037121|0.037957|0.044406|0.042613|0.052914|0.050999|0.053211|0.051229|0.042824|0.044580|0.084390|0.133838|0.112914|0.124175|0.107427|0.214792|0.500000| |0.953562|0.995621|1.460470|0.029546|1.128241|1.227411|1.738568|1.205398|1.110639|1.407274|2.021679|1.661250|1.815918|2.079052|2.137927|1.900179|1.695079|10.549910|4.419128|2.645865|4.270529|3.212738|3.352970|3.981661|4.718724|4.343969|3.557432|38.852943|8.751902|7.471283|12.540723|17.601997|8.897210|7.266768|7.207520|6.932758|5.969352|0.026905|0.025224|0.026347|0.026940|0.027782|0.031405|0.030348|0.035404|0.033760|0.034189|0.033115|0.029592|0.030914|0.048717|0.062815|0.052708|0.082023|0.105938|0.123117|0.089281|0.500000| |0.985359|1.031057|1.520528|0.030882|1.170189|1.281727|1.824121|1.269615|1.160672|1.485448|2.133111|1.766759|1.932475|2.239867|2.333195|2.061401|1.816330|11.225206|4.932402|2.899357|4.531291|3.641517|3.637363|4.377696|5.935112|5.944086|4.390791|49.966387|13.237965|8.331139|12.442719|17.623834|8.935770|6.002574|5.620008|4.837000|4.029997|0.027715|0.026003|0.027324|0.027962|0.028648|0.032399|0.031399|0.036808|0.035440|0.036102|0.035073|0.030984|0.032141|0.051412|0.067655|0.057439|0.085510|0.109922|0.188703|0.110414|0.303542|0.500000| 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