Version2.0 2020-02-02T04:04:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(cc1OC)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCCSCc4ccc(cc4)Cl C30981326 RHF 6-31G(d) (6D,7F) COc1ccc(cc1OC)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCCSCc4ccc(cc4)Cl C01[X(C26H32Cl1N4O4S1)] 198 C1 612 COc1cc(ccc1OC)c1noc(n1)C[NH+]1CCC(CC1)C(=O)NCCSCc1ccc(cc1)Cl COc1cc(ccc1OC)c1noc(n1)C[NH+]1CCC(CC1)C(=O)NCCSCc1ccc(cc1)Cl COc1ccc(cc1OC)c2noc(C[NH+]3CCC(CC3)C(=O)NCCSCc4ccc(Cl)cc4)n2 InChIKey=MQRIKQZFZZWQIK-UHFFFAOYSA-O InChI=1S/C26H31ClN4O4S/c1-33-22-8-5-20(15-23(22)34-2)25-29-24(35-30-25)16-31-12-9-19(10-13-31)26(32)28-11-14-36-17-18-3-6-21(27)7-4-18/h3-8,15,19H,9-14,16-17H2,1-2H3,(H,28,32)/p+1 InChI=1/C26H31ClN4O4S/c1-33-22-8-5-20(15-23(22)34-2)25-29-24(35-30-25)16-31-12-9-19(10-13-31)26(32)28-11-14-36-17-18-3-6-21(27)7-4-18/h3-8,15,19H,9-14,16-17H2,1-2H3,(H,28,32)/p+1/fC26H32ClN4O4S/h28,31H/q+1 COc1ccc(cc1OC)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCCSCc4ccc(cc4)Cl C01[X(C26H32Cl1N4O4S1)] 198 C01 612 COc1cc(ccc1OC)c1noc(n1)C[NH+]1CCC(CC1)C(=O)NCCSCc1ccc(cc1)Cl COc1cc(ccc1OC)[C@@H]1NOC(=N1)C[NH]1CC[C@H](CC1)C(=O)NCCSCc1ccc(cc1)Cl COc1ccc(cc1OC)[C@@H]2NOC(=N2)C[NH]3CC[C@H](CC3)C(=O)NCCSCc4ccc(Cl)cc4 InChIKey=KKEQRWQKWSNDCS-VWLOTQADSA-N InChI=1S/C26H34ClN4O4S/c1-33-22-8-5-20(15-23(22)34-2)25-29-24(35-30-25)16-31-12-9-19(10-13-31)26(32)28-11-14-36-17-18-3-6-21(27)7-4-18/h3-8,15,19,25,30-31H,9-14,16-17H2,1-2H3,(H,28,32)/t25-/m0/s1 InChI=1/C26H34ClN4O4S/c1-33-22-8-5-20(15-23(22)34-2)25-29-24(35-30-25)16-31-12-9-19(10-13-31)26(32)28-11-14-36-17-18-3-6-21(27)7-4-18/h3-8,15,19,25,30-31H,9-14,16-17H2,1-2H3,(H,28,32)/t25-/m0/s1/f/h28H 3662.6836595181 -2377.2023646 1-A 59266.9321 140 472 612 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531.18328 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 5.6204 8.8969 11.8675 14.5241 19.0025 28.7967 33.2343 36.0519 51.0833 55.1620 62.8257 68.2106 73.7931 82.1365 103.3598 111.9439 114.2597 127.2376 142.8691 174.1764 177.7310 199.4557 206.2142 211.3726 234.7479 245.3506 249.9746 269.8484 271.5887 277.7232 293.4753 299.7366 320.0890 338.5375 353.8349 360.9114 374.3285 397.5082 401.6521 421.7600 439.8819 447.7171 457.9246 464.4645 472.7219 486.1048 511.5746 517.2399 520.2703 552.3072 558.4426 575.5420 614.6997 657.2845 667.4028 692.3993 697.3450 711.9604 730.2722 775.8412 790.9135 794.7904 805.0370 826.7066 832.2458 842.0789 847.7594 854.8362 861.5873 874.2950 885.9230 893.6858 934.6051 939.3478 943.7943 953.9491 958.9550 988.7669 995.0687 1001.7001 1002.4615 1020.0295 1041.9370 1056.4999 1068.1195 1081.3589 1086.9424 1099.4510 1101.8883 1106.8420 1113.7830 1121.5536 1143.0321 1148.7313 1154.1090 1154.6108 1161.2395 1181.1463 1188.6527 1190.8954 1199.1702 1207.7584 1216.3332 1225.0461 1250.0596 1259.3568 1267.9428 1293.1872 1293.7693 1306.0684 1319.0449 1320.4938 1322.5574 1326.8611 1327.5904 1342.7314 1349.0746 1357.4689 1382.7501 1393.9223 1405.0735 1425.1997 1433.0805 1438.9735 1451.1123 1455.9811 1457.9630 1458.5939 1466.2268 1478.4482 1482.3133 1508.5150 1519.2530 1526.4894 1538.9118 1552.9994 1558.9406 1568.2006 1573.5975 1583.7041 1601.8322 1610.7054 1625.6214 1629.5463 1632.9567 1633.4843 1639.4389 1640.5678 1641.6554 1644.5577 1646.2584 1651.4337 1651.7529 1655.8761 1657.3220 1657.5265 1674.6341 1698.7125 1720.1766 1745.9577 1772.1099 1789.8556 1800.1099 1808.1672 1872.4116 1942.3570 3209.6866 3210.4907 3217.0685 3225.6737 3240.6641 3241.2205 3243.3935 3263.5003 3264.5349 3270.5302 3273.5235 3279.1859 3282.7267 3284.3872 3288.3663 3291.5511 3292.6911 3328.4654 3330.8389 3341.4872 3343.7442 3348.8931 3354.6484 3367.3865 3368.2806 3402.8493 3403.6839 3404.5682 3420.4941 3424.5145 3662.8090 3890.2764 7.6930 4.8479 4.0745 6.8209 6.5885 5.2632 4.5634 6.7081 6.2058 5.9677 4.3098 5.0523 5.2293 3.2963 3.6282 3.6530 3.4434 6.9607 5.1177 4.3822 4.6433 3.9822 4.1629 3.9531 2.8266 2.3834 3.0184 1.3550 4.2731 3.0904 1.5947 2.8543 3.9679 3.3108 3.2255 4.6952 5.0110 4.3432 2.8394 4.4298 5.8555 6.8157 2.9412 3.1648 2.9182 1.3400 2.1480 3.2408 5.3448 7.1054 3.3814 3.3801 3.0638 4.8927 4.1822 6.7231 6.8362 5.2287 4.7800 4.7428 1.9365 4.7935 4.2206 4.1137 3.8921 4.1688 4.8536 2.5014 3.3108 1.8859 2.8167 3.1705 1.4721 2.4930 1.2487 1.7365 6.8721 1.6864 2.5014 1.4360 2.2642 3.1366 2.2177 2.5560 1.3406 5.2805 1.3978 1.3601 2.4452 2.6684 3.6139 2.6682 1.9121 3.4317 4.2086 3.0682 3.1412 5.3108 2.9362 2.2631 1.7192 3.4649 2.9845 1.4267 2.1401 1.5401 1.4020 1.2666 1.2674 1.1780 2.4514 1.8299 1.4469 1.5435 1.4968 1.3313 2.5053 1.5320 1.2600 1.2772 4.8695 1.2274 1.7112 1.3374 2.7667 1.3182 1.3190 1.2901 1.1343 3.2779 1.3382 1.3602 2.7621 1.4488 1.4569 1.3484 1.3843 2.5071 1.6290 1.3161 2.3960 1.3245 1.1099 1.2433 1.1024 1.0883 1.0951 1.1026 1.4565 1.1085 1.1032 1.0473 1.0473 1.0656 1.0609 1.0930 2.3238 3.1723 2.0593 8.5255 6.3261 5.7822 5.7781 5.4425 10.5150 8.9182 1.0349 1.0865 1.0344 1.0609 1.0617 1.0584 1.0627 1.0681 1.0636 1.0670 1.1077 1.0660 1.1019 1.1082 1.1032 1.1099 1.1018 1.1105 1.1059 1.1089 1.1015 1.1023 1.1071 1.0912 1.0911 1.0904 1.0951 1.0955 1.0945 1.0920 1.0784 1.0794 0.0001 0.0002 0.0003 0.0008 0.0014 0.0026 0.0030 0.0051 0.0095 0.0107 0.0100 0.0138 0.0168 0.0131 0.0228 0.0270 0.0265 0.0664 0.0615 0.0783 0.0864 0.0933 0.1043 0.1041 0.0918 0.0845 0.1111 0.0581 0.1857 0.1404 0.0809 0.1511 0.2395 0.2236 0.2379 0.3603 0.4137 0.4043 0.2699 0.4643 0.6676 0.8050 0.3634 0.4022 0.3842 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7.2837 7.3409 7.2903 7.2934 7.4391 7.4751 7.4817 7.5448 7.5449 8.5246 9.6249 0.4287 0.2382 1.4880 0.4299 0.1582 1.2517 3.9657 0.2221 1.7673 0.9705 3.9284 0.9329 3.5884 6.6946 3.3549 0.7214 2.2244 2.8131 9.0792 2.4465 1.1131 11.5131 4.3641 6.2074 0.6274 5.2397 5.9092 0.7488 0.0156 2.2462 0.6216 5.2091 6.4210 1.6264 0.7149 21.0860 11.2430 21.5990 0.3554 0.9707 3.6804 5.8638 0.0006 0.0356 2.6469 80.3786 12.2357 0.1730 1.0040 0.6637 4.2391 18.6915 3.9917 2.3049 2.3529 33.4842 0.1693 10.1386 5.9454 5.4455 8.8280 0.1769 5.3610 1.4981 36.1199 8.1497 20.0332 8.2186 26.6138 0.5013 4.1986 15.0049 28.6988 3.2867 0.0309 32.3433 41.5087 2.0559 32.4513 30.6353 55.2404 99.7346 96.4527 30.4631 0.5923 5.9370 1.2294 0.0126 3.6522 3.1729 27.8318 7.8821 0.6038 8.9686 79.0174 17.0294 9.0974 18.6028 29.2742 0.2081 2.2792 72.7344 32.3916 1.6316 29.2284 67.9045 6.9117 2.2128 4.5057 0.7261 9.7612 41.4968 32.9411 15.3351 73.7578 0.6579 103.5697 168.3859 3.5316 35.0474 332.7617 5.8684 87.0900 14.9379 48.0206 7.6293 9.5772 1.6080 33.6145 468.7233 1.2335 35.6037 140.3097 5.2044 21.7990 10.3781 3.6327 9.5224 21.5142 124.8165 327.9279 77.7646 8.2110 55.5086 0.4717 9.1926 5.3729 14.9217 33.2109 15.9735 6.4205 2.4607 10.2124 26.4088 33.0904 30.7206 74.9828 391.4783 453.7431 48.0332 0.2088 83.1633 83.8443 11.7847 213.6485 236.6903 44.7923 21.3121 45.8934 33.7862 6.1528 28.8614 1.4205 17.3687 3.8712 5.5448 49.5589 1.5107 17.2266 47.1479 7.9685 7.5879 7.4917 5.6653 7.3606 6.2382 28.6623 29.7471 0.5516 11.5873 11.0475 5.4589 6.8650 0.7316 7.2607 1.5944 56.5855 44.8876 2.0299 3.1747 4.6705 1.6091 0.8545 1.7758 0.5043 1.8184 1.8171 1.0583 0.4196 1.3268 0.3740 0.4606 0.2521 0.6192 0.4711 0.5366 2.8389 0.4250 1.6373 1.8091 0.3659 0.6081 0.7666 0.5153 0.7325 0.2327 1.0005 1.1000 0.3745 0.5617 0.1804 0.3136 0.4229 1.2139 2.3422 2.9935 0.0588 3.3157 1.1304 3.4659 0.0249 1.0192 3.4835 1.4211 1.8447 1.3137 5.5926 3.0040 1.2690 0.7486 0.4167 0.3573 2.8599 6.3464 6.5460 6.4622 4.3561 24.7078 0.5105 0.9161 5.4225 11.7975 8.6549 8.1887 27.8496 3.2212 27.8288 16.7286 13.6422 24.8169 0.9275 0.9025 2.2033 3.7649 3.2115 3.0494 16.8198 1.9775 3.9596 46.8205 13.4198 0.9056 4.5774 13.1090 1.8974 0.0227 6.5806 10.2260 0.7257 11.7505 16.4052 3.3629 9.3345 4.6812 8.2462 9.2374 6.2551 0.0565 6.2743 20.8322 15.6026 4.0269 6.2733 44.9979 5.7337 5.8079 2.5403 4.1537 25.7040 17.6112 7.9981 4.2997 1.6592 10.1855 3.9114 4.5940 0.8891 7.0328 4.0771 14.4667 42.2267 37.5842 32.5322 8.4009 11.8865 2.2747 7.9295 139.3476 3.8579 3.9864 16.4494 4.2804 4.6363 1.0037 1.1351 0.1051 0.3243 6.1536 146.7254 10.9750 1.5816 17.0327 16.1477 19.8832 6.6840 19.0093 42.3894 2.9608 14.8081 22.1334 27.0851 17.4428 9.4769 11.1667 1.1798 176.0025 4.1399 105.0384 3.0042 75.2307 645.1257 111.0989 31.0284 5.2468 79.0435 46.1456 118.7304 61.0982 38.8445 62.8449 101.0237 81.8511 27.5917 55.6680 38.0705 124.5891 49.8653 48.1257 36.6839 32.9251 88.2245 50.7829 22.2824 73.1295 127.2303 149.6863 39.7924 58.2043 52.0478 41.6483 37.9867 175.1535 88.7085 49.8185 15.9293 44.4401 0.7468 0.7498 0.7500 0.7473 0.7480 0.7500 0.7350 0.7463 0.7308 0.6252 0.7456 0.7455 0.5089 0.7454 0.2702 0.7419 0.7385 0.6466 0.2686 0.7182 0.7311 0.4707 0.3358 0.6277 0.1290 0.2422 0.2920 0.5871 0.7493 0.3492 0.1632 0.1284 0.4781 0.5847 0.6540 0.4841 0.7210 0.1641 0.7240 0.1795 0.6384 0.7102 0.7458 0.3437 0.0879 0.7496 0.7347 0.7419 0.1340 0.5323 0.7006 0.4451 0.4684 0.6863 0.5226 0.5373 0.7491 0.2381 0.7443 0.1885 0.6132 0.7436 0.3226 0.2974 0.7350 0.4524 0.1033 0.5441 0.1756 0.3127 0.1901 0.3297 0.7190 0.3665 0.7483 0.1927 0.3067 0.2836 0.3270 0.7269 0.6655 0.3667 0.2303 0.7487 0.7471 0.2010 0.6441 0.6122 0.3732 0.4283 0.2161 0.5831 0.3488 0.3237 0.5806 0.2237 0.3104 0.7291 0.6652 0.3589 0.6925 0.1052 0.2810 0.7369 0.6865 0.2495 0.5706 0.7500 0.7497 0.1684 0.1664 0.1138 0.7421 0.7237 0.7254 0.1437 0.2907 0.4851 0.2422 0.2796 0.2136 0.7488 0.4636 0.4992 0.5141 0.5877 0.6580 0.6719 0.6788 0.2679 0.3696 0.7336 0.3889 0.7028 0.4275 0.3398 0.5954 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61 62 63 64 65 66 67 68 6 8 6 6 6 6 6 6 8 6 6 7 6 8 7 6 7 1 6 6 6 6 6 6 8 7 6 6 16 6 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11383.7405 102422.2160 110638.1964 0.99999 -0.00504 -0.00019 0.00504 0.99997 -0.00588 0.00022 0.00588 0.99998 1 0.00761 0.00085 0.00078 0.15854 0.01762 0.01631 8.09 12.80 17.07 20.90 27.34 41.43 47.82 51.87 73.50 79.37 90.39 98.14 106.17 118.18 148.71 161.06 164.39 183.07 205.56 250.60 255.72 286.97 296.70 304.12 337.75 353.00 359.66 388.25 390.76 399.58 422.25 431.25 460.54 487.08 509.09 519.27 538.58 571.93 577.89 606.82 632.89 644.17 658.85 668.26 680.14 699.40 736.04 744.19 748.55 794.65 803.47 828.08 884.42 945.69 960.24 996.21 1003.32 1024.35 1050.70 1116.26 1137.95 1143.53 1158.27 1189.45 1197.42 1211.56 1219.74 1229.92 1239.63 1257.92 1274.65 1285.81 1344.69 1351.51 1357.91 1372.52 1379.72 1422.62 1431.68 1441.22 1442.32 1467.59 1499.11 1520.07 1536.79 1555.83 1563.87 1581.86 1585.37 1592.50 1602.49 1613.67 1644.57 1652.77 1660.51 1661.23 1670.76 1699.41 1710.21 1713.43 1725.34 1737.69 1750.03 1762.57 1798.56 1811.93 1824.29 1860.61 1861.45 1879.14 1897.81 1899.90 1902.87 1909.06 1910.11 1931.89 1941.02 1953.09 1989.47 2005.54 2021.59 2050.54 2061.88 2070.36 2087.83 2094.83 2097.68 2098.59 2109.57 2127.16 2132.72 2170.42 2185.87 2196.28 2214.15 2234.42 2242.97 2256.29 2264.06 2278.60 2304.68 2317.45 2338.91 2344.55 2349.46 2350.22 2358.79 2360.41 2361.98 2366.15 2368.60 2376.04 2376.50 2382.44 2384.52 2384.81 2409.42 2444.07 2474.95 2512.04 2549.67 2575.20 2589.96 2601.55 2693.98 2794.62 4618.02 4619.18 4628.64 4641.03 4662.59 4663.39 4666.52 4695.45 4696.94 4705.56 4709.87 4718.02 4723.11 4725.50 4731.23 4735.81 4737.45 4788.92 4792.33 4807.65 4810.90 4818.31 4826.59 4844.92 4846.20 4895.94 4897.14 4898.41 4921.33 4927.11 5269.97 5597.24 0.604839 0.638128 0.639072 0.529508 -2376.597526 -2376.564237 -2376.563292 -2376.672857 3.674828D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE COc1ccc(cc1OC)c2nc(on2)C[NH+]3CCC(CC3)C(=O)NCCSCc4ccc(cc4)Cl C30981326 RHF 6-31G(d) (6D,10F) C1 531.183280 |X|Y|Z| 73.893525 33.050473 229.595666 82.461124 30 6 7 8 16 24 4 1 1 |36.858105| |13.565664|73.516695| |8.033621|25.460321|36.858105| |6.731433|14.094715|13.823879|36.858105| |4.511731|9.263830|7.913668|13.671684|36.858105| |3.795761|8.243701|6.850410|7.948794|13.857784|36.858105| |3.988164|9.457843|7.909329|6.869630|7.908494|13.537116|36.858105| |5.237170|14.567903|13.417775|7.879076|6.832997|7.904892|13.917163|36.858105| |4.806758|13.216619|8.172917|5.295290|4.620221|5.190903|7.924174|14.230677|73.516695| |3.555071|8.549756|5.238053|3.981058|3.788619|4.501350|6.741126|8.036375|24.168007|36.858105| |2.950566|6.080172|4.489654|5.095822|7.747165|13.028002|7.669351|5.091334|6.929446|3.696402|36.858105| |2.673520|5.251012|3.712590|4.432308|6.558460|7.607906|5.053734|3.878072|5.513085|2.923653|13.704251|53.358707| |2.292205|4.487253|3.063773|3.464894|4.632972|5.489798|4.203414|3.282571|4.883581|2.687453|9.238570|20.527066|36.858105| |2.226713|4.449610|3.025041|3.257982|4.195630|5.383822|4.493603|3.403034|5.163163|2.947550|9.028381|11.961026|14.580286|73.516695| |2.574514|5.322938|3.752338|3.949111|5.215898|7.840486|6.592270|4.474279|6.545767|3.744759|14.811555|11.608112|8.836484|24.338304|53.358707| |1.985636|3.794338|2.505523|2.816357|3.545971|3.882794|3.163971|2.618888|4.019931|2.221436|5.378923|10.452040|12.740473|14.164225|7.264108|36.858105| |1.787497|3.421324|2.221954|2.427768|2.947157|3.268222|2.808695|2.353838|3.701960|2.086595|4.324959|7.195398|7.758268|12.299186|6.349506|12.753497|53.358707| |1.779023|3.441942|2.236703|2.401426|2.900333|3.315987|2.917176|2.416979|3.830700|2.194845|4.438545|6.858333|7.504239|14.513010|7.028569|9.371327|25.634308|0.500000| |1.585427|2.995351|1.908880|2.073022|2.442682|2.631295|2.315276|1.997270|3.193568|1.801474|3.275768|5.285680|5.029412|8.199489|4.712608|7.672950|17.218988|0.257992|36.858105| |1.451390|2.744647|1.729070|1.845141|2.129340|2.304229|2.087981|1.821487|2.961440|1.690693|2.788384|4.255660|3.868916|6.807083|4.101536|4.980856|10.415387|0.199648|12.515454|36.858105| |1.455410|2.749410|1.727610|1.840127|2.111564|2.275407|2.071058|1.816432|2.959180|1.686707|2.715028|4.096071|3.607586|6.349352|3.958030|4.358005|8.779490|0.164690|7.496399|12.405128|36.858105| |1.615625|3.083902|1.961116|2.089729|2.432950|2.672248|2.416733|2.083633|3.364471|1.920367|3.260221|4.876151|4.366857|7.854137|4.827589|4.969756|10.415202|0.200258|6.515378|7.590847|12.414259|36.858105| |1.803596|3.445710|2.230662|2.433909|2.927713|3.214003|2.781698|2.352972|3.707811|2.082230|4.111133|6.619821|6.274393|10.204959|5.896564|7.626114|17.185676|0.258539|7.675315|6.518161|7.507364|12.517256|36.858105| |1.335358|2.523409|1.568170|1.645397|1.854520|2.001500|1.866515|1.656667|2.741338|1.578615|2.330070|3.392449|2.903155|5.292253|3.432377|3.301541|6.036538|0.122951|4.936130|7.658123|12.452899|7.631865|4.931197|36.858105| |1.328407|2.527024|1.569339|1.629832|1.831834|2.002788|1.893820|1.676174|2.793541|1.627318|2.331269|3.317148|2.848525|5.382659|3.510825|3.141194|5.668301|0.122806|4.427117|6.525754|8.071716|6.561320|4.437257|15.847796|73.516695| |1.247011|2.337917|1.440373|1.511101|1.683590|1.790415|1.675367|1.507487|2.506458|1.436204|2.042590|2.974008|2.476903|4.436076|2.952631|2.794673|4.808533|0.095584|3.963231|5.489262|7.786470|5.417706|3.938985|14.217532|15.073815|53.358707| |1.153902|2.161180|1.320507|1.372755|1.511458|1.605674|1.523510|1.383807|2.324840|1.339076|1.803603|2.581405|2.117439|3.838876|2.611927|2.328468|3.855515|0.078359|3.102200|4.041515|4.977397|3.989396|3.079944|7.763465|12.060642|17.785655|36.858105| |1.153263|2.163057|1.316849|1.360317|1.487970|1.582368|1.515048|1.382896|2.336303|1.349458|1.758730|2.482880|2.010280|3.673228|2.547075|2.152134|3.503800|0.071719|2.688871|3.324952|4.139979|3.704330|2.876630|5.845957|9.936201|10.449556|12.472207|36.858105| |1.046021|1.956089|1.180322|1.210882|1.309803|1.387079|1.341796|1.237658|2.110789|1.222623|1.520115|2.125826|1.700147|3.114672|2.195019|1.799561|2.844646|0.058625|2.182091|2.608449|3.015753|2.756631|2.266147|3.898527|7.002128|6.371255|6.975263|10.488838|388.023441| |1.050490|1.966665|1.181630|1.204461|1.293861|1.370467|1.337420|1.240923|2.129238|1.236230|1.485867|2.053895|1.623708|2.988886|2.142472|1.684351|2.625397|0.054282|1.955748|2.267234|2.626974|2.539370|2.120749|3.218531|5.857451|4.919326|4.561607|6.826557|74.179264|36.858105| |0.975615|1.821834|1.087889|1.104452|1.177952|1.243330|1.220178|1.140363|1.968416|1.143913|1.336451|1.839581|1.444047|2.656968|1.920993|1.490970|2.288263|0.047381|1.706969|1.947359|2.190955|2.120468|1.818826|2.604841|4.764331|3.909205|3.520115|4.570899|49.395302|12.620226|36.858105| |0.931064|1.730001|1.029260|1.046693|1.111814|1.165191|1.141474|1.072469|1.851348|1.070484|1.245472|1.720226|1.341502|2.447670|1.775505|1.387341|2.107936|0.043307|1.577640|1.778048|1.989788|1.919737|1.673245|2.311677|4.139031|3.502405|3.081532|3.815022|38.242000|7.561313|13.718601|36.858105| |0.876115|1.625122|0.962786|0.976296|1.032099|1.079439|1.061478|1.002058|1.736828|1.004872|1.147526|1.580151|1.227010|2.239245|1.633088|1.264524|1.903233|0.039165|1.423884|1.588687|1.748224|1.691272|1.495691|1.999064|3.597373|2.981422|2.567724|3.023696|28.650281|5.016293|7.893375|13.764114|36.858105| |0.860910|1.600607|0.947179|0.956667|1.009986|1.059894|1.047369|0.989272|1.721304|1.000382|1.125602|1.541862|1.198178|2.199894|1.608810|1.229552|1.847522|0.038273|1.378764|1.536885|1.672473|1.624657|1.440454|1.912327|3.496875|2.802131|2.402213|2.783503|26.039615|4.446499|6.865368|7.982015|13.778528|36.858105| |0.894801|1.670671|0.991120|0.998959|1.057441|1.116232|1.105802|1.040586|1.812189|1.058385|1.189774|1.623744|1.267686|2.344675|1.712283|1.298005|1.962119|0.040932|1.460237|1.639458|1.783132|1.737489|1.527453|2.064051|3.841840|2.990822|2.586863|3.030309|28.759102|5.017083|7.893675|6.882878|7.920364|13.775887|36.858105| |0.953416|1.784847|1.063837|1.074554|1.143440|1.211510|1.196723|1.119747|1.942751|1.135396|1.299612|1.776471|1.394771|2.586235|1.877870|1.431570|2.188164|0.045714|1.627129|1.849533|2.041285|1.987591|1.717712|2.413030|4.521267|3.517408|3.114374|3.827961|38.495966|7.562737|13.715459|7.974363|6.882350|7.981605|13.766764|36.858105| |0.801145|1.485792|0.875259|0.882041|0.926570|0.969286|0.960625|0.912135|1.592863|0.925223|1.023394|1.399152|1.081882|1.983227|1.458021|1.107070|1.646960|0.034107|1.228596|1.354215|1.454301|1.416070|1.273771|1.634603|2.983866|2.370667|1.987651|2.226564|19.717310|3.161829|4.218786|4.774436|7.042351|10.943709|7.041944|4.774469|448.794386| |17.572098|16.433085|7.042968|6.723184|4.571146|3.741254|3.789642|4.737745|7.528822|3.238804|2.941974|3.691418|2.313607|3.951407|3.464072|2.013852|2.472490|0.049848|1.609144|1.473116|1.488920|1.657985|1.855807|1.362428|2.397254|1.736891|1.178202|1.180247|7.591320|1.074131|0.995635|0.951793|0.894110|0.876028|0.908839|0.969483|6.534782|0.500000| |17.573235|16.434241|7.052543|6.726452|4.575267|3.745865|3.795554|4.746193|7.541879|3.246847|2.945254|3.693891|2.315900|3.955597|3.467491|2.017272|2.443287|0.049470|1.599903|1.454216|1.446525|1.594700|1.790080|1.322130|2.333664|1.680396|1.140344|1.133185|7.309502|1.026594|0.953782|0.910890|0.857517|0.842509|0.875173|0.931976|6.298486|0.298453|0.500000| |17.668326|17.011143|5.909062|4.912884|3.619634|3.191391|3.422993|4.418632|7.823743|3.362869|2.566150|3.178426|2.043096|3.563131|3.123753|1.791578|2.221258|0.045265|1.460018|1.347859|1.352961|1.493485|1.647707|1.251258|2.218333|1.596548|1.091751|1.094046|7.098767|1.005571|0.937794|0.896389|0.846004|0.832610|0.864587|0.918419|6.239099|0.299872|0.299860|0.500000| |7.489896|12.596357|8.940014|17.776247|8.940691|5.670040|4.954901|5.610225|7.593874|3.324165|4.152059|5.276426|3.091092|5.078017|4.507446|2.606997|3.065426|0.061209|1.956116|1.742429|1.740323|1.952791|2.264310|1.557989|2.726936|1.964125|1.313135|1.300069|8.257209|1.154345|1.061286|1.010323|0.943924|0.923171|0.960425|1.030478|6.848515|0.224818|0.224538|0.146287|0.500000| |3.913873|7.472826|5.648458|8.916186|17.756519|8.940572|5.624400|4.934248|6.518440|3.131567|7.118855|10.112737|4.977799|7.445041|6.546617|3.904138|4.269790|0.083600|2.605619|2.229582|2.204896|2.523603|3.105323|1.909572|3.315379|2.365612|1.548377|1.514210|9.435895|1.302678|1.183346|1.119595|1.037572|1.011964|1.056927|1.143835|7.445005|0.113010|0.113088|0.089078|0.216692|0.500000| |3.328504|7.618602|5.623679|4.955491|5.651523|8.886852|17.782355|8.974343|12.596477|7.503125|7.113530|6.377786|4.183950|8.556668|10.092134|3.155151|3.915986|0.085082|2.362441|2.157049|2.134111|2.503787|2.832807|1.940196|3.544351|2.351506|1.576138|1.570235|9.891513|1.387796|1.265041|1.177116|1.094087|1.083367|1.149314|1.246204|7.964034|0.088030|0.088169|0.082250|0.107647|0.124138|0.500000| |3.248005|7.551465|4.751370|3.793177|3.741547|4.567222|6.738353|7.061879|16.438337|17.561546|3.866396|4.121222|2.814683|5.577592|5.473244|2.315614|2.944439|0.063791|1.868028|1.745950|1.719949|1.948433|2.117713|1.607170|2.957936|1.979940|1.354723|1.356085|8.736035|1.233670|1.141495|1.066155|1.001049|0.998317|1.058242|1.135533|7.412503|0.081835|0.085315|0.084833|0.088136|0.086693|0.224929|0.500000| |3.237788|7.529573|4.736501|3.782373|3.732659|4.559818|6.732361|7.044532|16.436672|17.559603|3.863263|4.117876|2.812674|5.577683|5.477632|2.311451|2.998654|0.064703|1.884099|1.780694|1.794246|2.069840|2.230806|1.683195|3.095684|2.076192|1.421038|1.440668|9.240336|1.320498|1.216878|1.134624|1.061756|1.056708|1.120918|1.207145|7.814951|0.084820|0.081786|0.084587|0.087892|0.086500|0.225489|0.298593|0.500000| |3.357742|7.808293|4.412191|3.413823|3.184773|3.611831|4.916086|5.901185|17.016507|17.662987|3.057202|3.416155|2.333221|4.506605|4.218100|1.974063|2.546490|0.054504|1.638671|1.550828|1.549923|1.746980|1.871191|1.463779|2.685067|1.825127|1.259400|1.273222|8.270246|1.180649|1.098810|1.030526|0.971173|0.968963|1.024035|1.093867|7.223308|0.084498|0.084704|0.091540|0.082066|0.075070|0.146476|0.299880|0.299918|0.500000| |1.901652|3.620780|2.369233|2.641697|3.262721|3.545000|2.951679|2.473458|3.834361|2.127440|4.722133|8.518794|8.990897|11.978500|6.476958|17.608419|12.371851|0.218905|7.358579|4.755948|3.904851|4.156660|5.587313|3.062090|5.245880|3.560995|2.211549|2.023710|12.209737|1.596224|1.424292|1.327358|1.216035|1.186594|1.252553|1.374898|8.615312|0.053070|0.054147|0.047882|0.068337|0.098977|0.082132|0.062330|0.060731|0.052812|0.500000| |1.996125|3.756839|2.467448|2.827973|3.542699|3.684405|2.969735|2.514272|3.848291|2.094050|4.813068|9.692004|8.957805|10.375309|6.072952|17.660131|12.280201|0.181385|6.765500|4.526712|4.154982|4.626598|7.111778|3.133825|5.165356|3.716407|2.267888|2.100032|12.493171|1.646835|1.459094|1.367629|1.246351|1.205598|1.264936|1.392094|8.724514|0.056822|0.056504|0.049893|0.074116|0.112445|0.080348|0.059919|0.060295|0.052005|0.300359|0.500000| |1.564010|2.954715|1.879651|2.036047|2.391419|2.577622|2.278112|1.968532|3.155411|1.783381|3.195531|5.110155|4.832803|7.982491|4.613936|7.216912|12.358306|0.222942|17.625897|8.808229|5.470413|4.891305|5.605438|4.107037|6.868662|4.625588|2.778018|2.414673|14.322843|1.806893|1.597429|1.479723|1.346335|1.311124|1.388856|1.536297|9.443937|0.043785|0.044111|0.040059|0.053381|0.070669|0.064694|0.051849|0.051359|0.045118|0.231518|0.169786|0.500000| |1.577225|2.950008|1.873431|2.056673|2.414800|2.537564|2.212045|1.930302|3.076872|1.716214|3.096767|5.117513|4.624793|7.152729|4.287989|7.073620|12.419844|0.181645|17.603005|8.749362|6.709974|5.753736|7.048812|4.466537|6.854380|5.201598|2.982633|2.591911|15.006074|1.894655|1.657673|1.547277|1.397002|1.344319|1.412550|1.568295|9.636884|0.044734|0.044326|0.040298|0.054521|0.072734|0.061745|0.049096|0.049667|0.043498|0.183942|0.204287|0.301012|0.500000| |1.441434|2.745048|1.728699|1.824494|2.099329|2.307601|2.121873|1.842991|3.016455|1.742164|2.798541|4.145791|3.795124|7.058246|4.241136|4.618077|9.337297|0.209945|8.860391|17.567623|8.865525|6.790328|5.677910|7.268668|13.175009|6.841354|3.945846|3.294474|18.675292|2.289372|1.973482|1.783048|1.598099|1.560664|1.680777|1.899218|11.039513|0.040412|0.040049|0.037277|0.047535|0.060235|0.061757|0.050293|0.051087|0.044391|0.125559|0.111743|0.215091|0.172728|0.500000| |1.355099|2.544839|1.589802|1.694553|1.932848|2.063936|1.881348|1.662402|2.718740|1.548654|2.445092|3.717388|3.271807|5.692133|3.542911|4.146452|7.603087|0.145515|8.990073|17.570559|8.771471|5.507480|4.894754|6.823006|10.173932|7.511408|4.143414|3.269577|18.608454|2.224158|1.926637|1.771309|1.587437|1.533018|1.627703|1.827326|10.872006|0.038180|0.037827|0.035092|0.044806|0.056329|0.053715|0.044410|0.045021|0.039725|0.114530|0.108603|0.213395|0.213623|0.303809|0.500000| |1.433304|2.684149|1.680234|1.803532|2.060640|2.179247|1.969539|1.744331|2.835467|1.600483|2.563397|3.929898|3.367657|5.710019|3.634353|4.117370|7.651251|0.135460|6.723317|8.839627|17.521992|8.840188|6.737594|8.778289|10.438496|10.251380|4.778271|3.975544|20.779030|2.545648|2.132672|1.967817|1.728314|1.637435|1.725358|1.963421|11.459549|0.040937|0.039640|0.037002|0.047822|0.060417|0.055667|0.045110|0.047077|0.040971|0.102356|0.115344|0.138254|0.195688|0.174135|0.215245|0.500000| |1.614505|3.111519|1.979375|2.078910|2.412254|2.708872|2.499180|2.138542|3.480837|2.017662|3.317929|4.760498|4.300965|8.352189|5.132954|4.612387|9.346438|0.210944|5.681984|6.787835|8.860451|17.570854|8.856509|7.233994|13.251962|6.754924|3.890951|3.686876|19.813968|2.590609|2.166487|1.935472|1.709334|1.658625|1.793625|2.059496|11.592505|0.045726|0.044135|0.041573|0.053470|0.068268|0.073391|0.057161|0.060856|0.050912|0.110325|0.113879|0.127611|0.132328|0.198272|0.138900|0.174051|0.500000| |1.606151|3.055290|1.931428|2.052581|2.361881|2.564988|2.338399|2.040888|3.309760|1.882637|3.041465|4.479971|3.812257|6.794477|4.413657|4.135143|7.602243|0.145921|4.890979|5.506775|8.774674|17.569334|8.995646|6.791085|10.248439|7.343618|4.048620|3.970704|20.555068|2.726409|2.243741|2.034172|1.776194|1.692175|1.803292|2.074811|11.767952|0.046098|0.043767|0.041333|0.053524|0.067859|0.066884|0.052452|0.056672|0.047783|0.096858|0.111679|0.107735|0.129101|0.138955|0.123075|0.215170|0.303886|0.500000| |1.788669|3.371479|2.170546|2.402595|2.873242|3.040182|2.602359|2.241321|3.522721|1.950625|3.762966|6.279442|5.522861|8.354010|5.110515|7.033424|12.424298|0.181962|7.069881|5.776851|6.739664|8.752141|17.604391|4.471567|6.876143|5.181068|2.966729|2.760582|15.553916|2.043792|1.759836|1.637418|1.464872|1.401560|1.473396|1.649223|9.976068|0.051513|0.049490|0.045332|0.063061|0.086648|0.072110|0.054772|0.057569|0.048960|0.145797|0.216555|0.144691|0.214915|0.132600|0.129645|0.196877|0.172697|0.213344|0.500000| |1.975020|3.816578|2.506005|2.736744|3.352040|3.772218|3.224681|2.672202|4.159035|2.331360|4.961280|7.802204|7.250790|12.096771|7.141547|7.151563|12.326554|0.223059|5.604211|4.888996|5.476376|8.813409|17.645521|4.100493|6.883507|4.590056|2.750664|2.652538|15.132847|2.039155|1.759403|1.618752|1.452638|1.403615|1.489715|1.670131|9.995830|0.056598|0.054060|0.049815|0.069670|0.097613|0.091320|0.065467|0.070198|0.057552|0.143879|0.182293|0.126464|0.144485|0.127351|0.107745|0.138581|0.214720|0.213977|0.300894|0.500000| |1.249278|2.329643|1.434333|1.514544|1.687083|1.775815|1.649248|1.489153|2.466413|1.402656|2.018585|2.975442|2.456802|4.308414|2.874625|2.804356|4.748050|0.091564|3.962033|5.213274|7.421876|5.167354|3.945916|9.422174|10.862798|26.087513|9.000442|6.278009|29.473885|3.306718|2.674534|2.458154|2.102528|1.956430|2.055722|2.384633|13.394626|0.035637|0.034408|0.032602|0.040387|0.048739|0.046851|0.039359|0.041259|0.036376|0.072598|0.077824|0.093412|0.111030|0.125367|0.149144|0.239218|0.124388|0.146756|0.110779|0.092964|0.500000| |1.136378|2.134513|1.303930|1.349990|1.485968|1.587628|1.514097|1.373089|2.314380|1.340496|1.786832|2.540636|2.095709|3.846448|2.612057|2.297879|3.806074|0.078892|3.079858|4.069247|4.668911|3.770124|2.945875|7.306574|13.237156|12.542980|17.645182|8.849940|46.180287|4.264246|3.416780|2.942166|2.499256|2.393414|2.622818|3.148074|15.988606|0.032093|0.031233|0.029901|0.035775|0.042119|0.043756|0.037854|0.039463|0.035051|0.061365|0.061329|0.078148|0.080439|0.115538|0.116959|0.118829|0.106124|0.102481|0.077432|0.073464|0.182459|0.500000| |1.100887|2.050887|1.248150|1.300162|1.425078|1.500993|1.422108|1.299681|2.184965|1.252989|1.673956|2.406903|1.956571|3.506558|2.399655|2.161082|3.503556|0.070345|2.857665|3.608412|4.262239|3.423155|2.765311|5.828262|8.959466|12.593575|17.603443|8.823957|46.932311|4.236375|3.410072|3.097261|2.596034|2.396010|2.526388|2.981539|16.014648|0.031248|0.030284|0.028977|0.034730|0.040692|0.040643|0.035187|0.036758|0.032828|0.057448|0.059144|0.071915|0.078001|0.095912|0.106390|0.119865|0.091046|0.096533|0.075668|0.068753|0.229812|0.302398|0.500000| |1.168075|2.183161|1.328019|1.376760|1.503914|1.588440|1.514625|1.386832|2.336904|1.341718|1.757518|2.493405|2.001587|3.614493|2.518656|2.141133|3.454712|0.069607|2.628499|3.168111|4.039117|3.690213|2.902396|5.273769|8.428078|9.566971|8.840915|17.561957|56.194189|6.387619|4.332464|3.801906|2.988180|2.683534|2.842940|3.516933|17.343779|0.033353|0.031841|0.030759|0.036671|0.042656|0.043335|0.037273|0.039804|0.035158|0.055459|0.058796|0.065007|0.071727|0.084969|0.086142|0.112500|0.098742|0.114258|0.078931|0.074577|0.180283|0.173685|0.210119|0.500000| |1.203767|2.271226|1.386853|1.426758|1.564700|1.679583|1.615773|1.467417|2.482097|1.442258|1.874412|2.621400|2.133044|3.956314|2.745209|2.255208|3.707471|0.077131|2.776536|3.438620|4.317781|4.062609|3.072074|6.189730|11.525044|9.418804|8.879887|17.590969|56.207851|6.543732|4.389349|3.552205|2.863715|2.700833|3.009214|3.839567|17.426555|0.034178|0.032766|0.031697|0.037665|0.043987|0.046838|0.040259|0.043028|0.037722|0.058559|0.060435|0.069093|0.073041|0.097047|0.091003|0.110176|0.116827|0.121726|0.079928|0.079632|0.152731|0.214935|0.173794|0.300711|0.500000| |1.067162|1.992567|1.196724|1.223282|1.312989|1.384066|1.346109|1.251429|2.142030|1.237449|1.496527|2.076013|1.632715|2.982352|2.142502|1.693497|2.629851|0.053869|1.950293|2.238629|2.633116|2.567406|2.154200|3.156811|5.573602|4.888080|4.349200|6.511394|56.352088|17.597804|8.888681|7.155149|4.732717|3.990956|4.211687|5.662380|23.583045|0.030422|0.028934|0.028357|0.032644|0.036808|0.038618|0.034170|0.036739|0.032806|0.044319|0.046353|0.049728|0.052999|0.061902|0.060822|0.072095|0.071563|0.078061|0.058266|0.057650|0.093922|0.107979|0.114275|0.195478|0.168256|0.500000| |1.092512|2.055361|1.237367|1.256581|1.351841|1.441827|1.413553|1.307427|2.247482|1.311947|1.566205|2.149047|1.703448|3.167769|2.275963|1.752095|2.743526|0.057277|2.017135|2.340828|2.717953|2.687306|2.223858|3.343728|6.278760|4.903874|4.397171|6.524554|56.410174|17.598515|8.886483|5.672244|4.215493|3.990717|4.726644|7.133432|23.582424|0.030992|0.029592|0.029038|0.033307|0.037641|0.040969|0.036361|0.039116|0.034772|0.045982|0.047244|0.051721|0.053749|0.066491|0.062874|0.071794|0.077681|0.080272|0.058755|0.059888|0.089868|0.117377|0.108344|0.163356|0.201478|0.301737|0.500000| |0.941120|1.744222|1.038275|1.059708|1.126386|1.175876|1.146858|1.077812|1.854565|1.067653|1.256965|1.744834|1.358344|2.462241|1.783013|1.410074|2.141386|0.043682|1.606098|1.806054|2.039612|1.961187|1.711408|2.354112|4.135660|3.625186|3.165002|3.930500|37.581607|7.003966|8.907758|17.710292|8.959682|5.673210|4.956619|5.657168|31.654436|0.026793|0.025585|0.025140|0.028476|0.031609|0.032729|0.029493|0.031418|0.028508|0.037367|0.038833|0.041652|0.044072|0.049798|0.050069|0.056711|0.054286|0.058176|0.046892|0.045861|0.071822|0.081699|0.089892|0.113763|0.098942|0.214626|0.143730|0.500000| 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