Version2.0 2020-01-07T15:08:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 06-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1C)N([C@H](c2ccc(cc2)OC)C(=O)NCCOC)C(=O)c3c(c(ns3)C(=O)N)N C12467371 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1C)N([C@H](c2ccc(cc2)OC)C(=O)NCCOC)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C25H29N5O5S1)] 189 C1 602 COCCNC(=O)[C@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc(c(c1)C)C)c1ccc(cc1)OC COCCNC(=O)[C@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc(c(c1)C)C)c1ccc(cc1)OC COCCNC(=O)[C@H](N(C(=O)c1snc(C(N)=O)c1N)c2ccc(C)c(C)c2)c3ccc(OC)cc3 InChIKey=OYBMMMJTPUKAHM-OAQYLSRUSA-N InChI=1S/C25H29N5O5S/c1-14-5-8-17(13-15(14)2)30(25(33)22-19(26)20(23(27)31)29-36-22)21(24(32)28-11-12-34-3)16-6-9-18(35-4)10-7-16/h5-10,13,21H,11-12,26H2,1-4H3,(H2,27,31)(H,28,32)/t21-/m1/s1 InChI=1/C25H29N5O5S/c1-14-5-8-17(13-15(14)2)30(25(33)22-19(26)20(23(27)31)29-36-22)21(24(32)28-11-12-34-3)16-6-9-18(35-4)10-7-16/h5-10,13,21H,11-12,26H2,1-4H3,(H2,27,31)(H,28,32)/t21-/m1/s1/f/h28H,27H2 Cc1ccc(cc1C)N([C@H](c2ccc(cc2)OC)C(=O)NCCOC)C(=O)c3c(c(ns3)C(=O)N)N C01[X(C25H29N5O5S1)] 189 C01 602 COCCNC(=O)[C@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc(c(c1)C)C)c1ccc(cc1)OC COCCNC(=O)[C@H](N(C(=O)[C@@H]1SN[C@H]([C@@H]1N)C(=O)N)c1ccc(c(c1)C)C)c1ccc(cc1)OC COCCNC(=O)[C@H](N(C(=O)[C@@H]1SN[C@H]([C@@H]1N)C(N)=O)c2ccc(C)c(C)c2)c3ccc(OC)cc3 InChIKey=ZTVDJZOKFQFRLT-DXBBTUNJSA-N InChI=1S/C25H33N5O5S/c1-14-5-8-17(13-15(14)2)30(25(33)22-19(26)20(23(27)31)29-36-22)21(24(32)28-11-12-34-3)16-6-9-18(35-4)10-7-16/h5-10,13,19-22,29H,11-12,26H2,1-4H3,(H2,27,31)(H,28,32)/t19-,20+,21+,22+/m0/s1 InChI=1/C25H33N5O5S/c1-14-5-8-17(13-15(14)2)30(25(33)22-19(26)20(23(27)31)29-36-22)21(24(32)28-11-12-34-3)16-6-9-18(35-4)10-7-16/h5-10,13,19-22,29H,11-12,26H2,1-4H3,(H2,27,31)(H,28,32)/t19-,20+,21+,22+/m0/s1/f/h28H,27H2 4163.6685559426 -2007.6793544 1-A 21246.6977 135 467 602 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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| 8.6576 14.7698 16.4497 29.1765 33.9114 43.4465 44.6623 45.3008 52.3102 59.8928 63.6849 78.1001 84.5181 86.9720 104.6985 111.6663 125.0794 127.7726 148.6387 164.8179 169.5831 180.7378 185.6407 187.0801 217.1887 235.9211 247.7384 250.4497 255.9538 275.6675 279.2914 285.0424 294.6576 307.9079 315.2010 325.2965 341.6588 343.3506 353.6619 377.7970 402.0925 407.3390 424.3448 434.5654 450.9944 469.2853 483.3515 499.0417 504.1986 531.6059 550.6263 553.6595 566.1999 576.4326 585.1807 587.7313 596.9350 626.9315 638.4867 644.9589 675.0082 693.9489 695.5391 713.2552 735.0042 749.3789 775.0713 802.1811 809.3663 831.1583 837.5197 853.2671 867.6240 881.4262 887.2269 927.3608 931.9556 936.9005 947.3282 950.4856 956.9296 970.9816 999.3842 1019.2506 1051.8689 1063.9217 1084.9492 1090.7032 1102.2424 1109.6692 1112.1395 1112.8401 1152.6229 1157.0584 1173.1554 1180.8909 1182.5144 1184.8262 1204.8470 1206.3635 1218.9021 1228.6830 1239.3238 1260.2638 1261.8460 1270.0594 1287.5293 1289.8258 1294.1787 1300.1271 1308.8021 1309.8991 1322.9742 1335.4678 1345.7798 1349.7484 1356.5395 1388.1092 1404.6887 1416.5488 1429.2713 1438.6154 1454.8797 1473.4380 1502.8884 1527.6750 1533.6843 1554.2260 1563.1677 1573.7830 1575.9490 1581.9519 1592.4352 1596.3455 1615.8054 1625.8368 1631.5672 1635.4642 1638.0527 1639.8481 1640.4040 1645.4549 1649.7340 1651.1260 1656.0752 1660.6479 1675.9671 1680.5329 1699.5839 1717.8844 1734.9580 1768.0792 1776.3717 1783.4850 1797.0109 1817.7982 1821.3353 1849.7786 1936.2089 1953.7863 3173.0105 3186.8432 3200.3249 3203.9854 3209.0569 3209.1252 3229.7905 3231.5716 3249.9556 3252.8279 3271.9754 3283.8368 3286.1692 3300.9996 3308.3136 3319.3188 3327.7698 3355.8805 3362.9039 3379.2586 3393.1352 3394.2782 3410.4972 3419.8268 3835.5077 3844.1599 3882.4246 3971.3083 3978.0457 4.7789 7.1379 6.7138 4.7743 4.9821 5.9327 5.4246 4.0904 3.7624 4.4865 3.7086 4.8221 4.5591 3.0097 9.0715 3.8979 4.0236 1.0543 4.3456 2.5058 5.8047 5.1991 3.7103 1.4496 2.1586 2.9505 2.8664 5.4646 2.8383 1.4157 3.1221 2.0231 3.0068 2.4894 2.9638 2.6567 4.2711 4.0740 1.1062 4.3841 4.4771 4.1968 4.0769 5.2389 12.2676 3.0447 7.2258 4.4336 3.1708 4.8065 4.3604 5.1885 1.9226 4.7660 4.2203 2.9386 1.7641 3.7955 1.3420 3.5769 1.0945 6.3277 5.7614 4.1246 5.0082 5.5330 4.3613 3.2241 4.6023 4.6426 4.2985 7.8695 4.8530 5.1755 9.3101 3.4939 1.2649 2.0456 2.4302 2.8492 2.5092 3.3119 2.2684 1.5423 3.5370 3.5495 1.4902 1.6088 1.3908 1.3759 1.6068 2.7089 2.9528 1.4441 6.3348 3.0871 1.6277 5.1372 2.1501 2.0090 2.3882 2.1427 1.8456 2.2577 1.9043 4.1895 3.4779 4.7122 1.2676 1.3134 1.2750 1.8275 1.7172 2.1571 1.8339 1.6665 1.9803 1.2885 2.7922 1.2682 1.6884 2.6359 2.0339 2.1251 1.8208 1.8077 2.5764 1.7045 1.3209 1.5070 1.5636 1.5537 2.4241 4.4664 6.9755 1.0460 1.1985 1.1867 1.1368 1.1314 1.0450 1.0479 1.0870 1.0478 1.0681 1.0552 1.1055 2.4960 2.4401 2.0325 3.5949 5.9760 6.1351 1.3153 1.7387 5.7418 5.3469 10.1196 8.9973 8.5938 1.0476 1.0452 1.0392 1.0380 1.0964 1.0353 1.0912 1.0958 1.1019 1.1018 1.1075 1.1012 1.1012 1.0865 1.0995 1.0959 1.1020 1.0906 1.0913 1.0926 1.0929 1.0916 1.0949 1.0949 1.0443 1.0456 1.0780 1.1081 1.1076 0.0002 0.0009 0.0011 0.0024 0.0034 0.0066 0.0064 0.0049 0.0061 0.0095 0.0089 0.0173 0.0192 0.0134 0.0586 0.0286 0.0371 0.0101 0.0566 0.0401 0.0984 0.1001 0.0753 0.0299 0.0600 0.0968 0.1037 0.2020 0.1096 0.0634 0.1435 0.0968 0.1538 0.1391 0.1735 0.1656 0.2937 0.2830 0.0815 0.3687 0.4265 0.4103 0.4325 0.5829 1.4701 0.3951 0.9946 0.6506 0.4749 0.8003 0.7789 0.9371 0.3632 0.9330 0.8515 0.5981 0.3704 0.8789 0.3223 0.8766 0.2938 1.7954 1.6422 1.2363 1.5941 1.8307 1.5437 1.2224 1.7763 1.8897 1.7765 3.3757 2.1524 2.3691 4.3179 1.7704 0.6473 1.0579 1.2849 1.5166 1.3538 1.8397 1.3349 0.9440 2.3057 2.3672 1.0335 1.1276 0.9956 0.9982 1.1709 1.9766 2.3113 1.1391 5.1368 2.5364 1.3411 4.2490 1.8390 1.7226 2.0905 1.9058 1.6702 2.1127 1.7865 3.9817 3.3969 4.6189 1.2509 1.3080 1.2868 1.8475 1.7708 2.2667 1.9569 1.7888 2.1470 1.4628 3.2460 1.4993 2.0321 3.2142 2.5365 2.7182 2.4231 2.4857 3.5706 2.4259 1.9017 2.1991 2.2881 2.2909 3.6217 6.7060 10.7301 1.6290 1.8797 1.8701 1.7972 1.7925 1.6568 1.6716 1.7430 1.6831 1.7258 1.7146 1.8295 4.1533 4.1529 3.5340 6.3756 11.0070 11.4063 2.4650 3.3080 11.1787 10.4503 20.4011 19.8731 19.3280 6.2143 6.2545 6.2709 6.2784 6.6524 6.2821 6.7067 6.7420 6.8575 6.8689 6.9859 6.9963 7.0064 6.9754 7.0901 7.1138 7.1904 7.2363 7.2714 7.3510 7.4138 7.4098 7.5032 7.5449 9.0512 9.1034 9.5740 10.2964 10.3267 0.7583 0.7639 0.0121 0.2052 2.5666 0.9926 0.9397 1.6883 4.1438 0.7838 0.0324 1.1483 1.4899 4.0793 2.8027 3.1639 9.2243 0.0512 4.9331 0.1118 2.3081 1.6375 1.3330 0.9792 2.8469 4.9942 3.4635 7.7282 2.2356 4.9695 20.3895 67.4267 17.3477 2.7044 98.3714 2.9496 21.7354 3.7568 363.0210 5.1454 2.7963 15.8115 7.0930 5.2284 9.6981 0.2077 4.7976 14.5312 11.6746 12.0243 16.3810 25.0677 66.7172 1.5861 9.9015 94.6316 24.5344 9.8338 0.4609 20.1236 8.8432 6.7244 4.2080 18.3183 105.2008 16.0698 2.2367 15.8815 1.4330 9.1044 67.8861 10.8222 7.8342 20.1687 40.9388 27.2071 0.2367 29.6713 47.4874 12.2678 6.4287 13.6071 8.7152 0.1039 1.6786 11.3587 1.2830 3.0714 4.3096 3.4789 2.1815 0.2613 13.6057 3.1744 46.3200 8.6127 0.3722 76.0269 34.5272 12.2910 30.7263 13.3438 8.0460 57.2050 123.0757 40.3844 138.2453 40.8190 3.0885 8.3362 54.3508 5.2832 17.8928 13.2710 44.0981 76.1525 126.4989 18.6617 233.9701 61.7541 133.1254 160.3657 471.2458 522.2362 75.8151 0.3603 90.1381 35.5284 34.0305 11.0486 11.4997 41.8377 3.5605 30.8530 95.2277 0.2046 26.3822 5.9117 14.3352 2.0467 12.6819 3.4628 18.2016 3.9769 3.7805 25.7192 4.7236 71.2676 167.2048 426.5723 168.5558 5.9361 15.9446 273.3598 371.3583 13.1710 91.9543 248.7051 243.0134 591.8345 25.8209 99.1080 7.6259 69.0643 8.9649 51.8308 4.4031 178.1146 2.1629 51.8307 51.5303 44.3632 4.5221 11.2733 42.2798 11.1695 46.8260 13.1649 23.9807 6.7535 10.7029 6.7275 6.5944 0.3145 143.2674 89.8406 50.0134 188.0706 102.7696 0.6477 2.5683 1.7269 1.5181 0.6151 3.8448 1.1171 4.4537 0.6230 0.5333 1.4770 1.0145 0.0919 1.2360 0.3983 1.2265 1.7246 0.1400 0.6360 0.5661 0.8577 0.8656 0.5441 0.2877 0.7412 1.4062 0.1245 0.9473 1.8762 1.4162 2.7036 3.1555 0.8297 0.9942 0.1733 0.7685 1.0954 2.0840 1.2215 2.5545 7.4946 0.9331 2.5672 0.5564 7.9823 0.0814 3.3083 1.8033 0.4683 1.3515 1.6158 1.0502 1.1206 6.2835 2.7204 0.4964 0.8765 1.7955 6.0111 3.9446 0.6712 5.4598 2.8694 0.6157 0.6019 0.4712 0.6405 1.8682 21.1519 2.5808 2.1073 1.5359 3.2297 13.1130 1.4751 1.5027 3.5074 5.1697 3.2349 1.5147 5.7662 4.8021 16.0965 3.5553 7.4852 1.2785 1.3894 2.6663 2.0460 0.2882 0.6915 0.1559 5.9426 1.5069 2.5698 5.9743 0.4476 3.7546 9.7692 0.8305 1.4216 1.4523 4.2713 1.4586 3.8104 10.3329 11.1341 17.3336 4.4737 6.1647 8.4741 0.6295 11.7097 1.8004 2.9978 4.8314 8.6108 4.7022 28.3174 13.0521 9.0931 5.4266 8.5064 10.1771 6.4893 16.3191 22.0925 5.5551 5.6342 8.5033 17.9821 6.1802 12.5767 132.4149 275.7438 24.1283 6.4580 11.0776 3.8553 14.3179 10.4750 17.3810 10.1523 25.4689 10.2271 12.9169 12.4874 3.5078 1.7685 4.8002 17.0815 15.2930 6.0998 14.3318 8.7603 28.4217 70.0431 27.4123 6.0959 26.9232 6.7438 181.5809 5.2038 264.8014 65.6064 114.6391 54.9311 87.2407 5.3774 146.9725 38.8548 3.5811 97.5620 28.7556 80.7397 35.3831 151.7189 48.1350 89.1813 41.3275 75.8104 74.6703 73.9178 57.5597 160.8911 102.0220 27.3547 17.7675 60.4624 0.7468 0.7497 0.7496 0.7015 0.7478 0.7449 0.7465 0.7500 0.7183 0.6482 0.7425 0.7370 0.7341 0.7499 0.7388 0.6610 0.6992 0.7499 0.6026 0.7372 0.1839 0.7001 0.7391 0.7190 0.3199 0.5327 0.1318 0.6364 0.4801 0.2813 0.2174 0.4844 0.1226 0.2235 0.5826 0.0254 0.7490 0.6655 0.4911 0.4917 0.7336 0.7094 0.6390 0.6693 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1561.00 1569.28 1585.88 1596.57 1600.12 1601.13 1658.37 1664.75 1687.91 1699.04 1701.37 1704.70 1733.51 1735.69 1753.73 1767.80 1783.11 1813.24 1815.51 1827.33 1852.47 1855.77 1862.03 1870.59 1883.07 1884.65 1903.46 1921.44 1936.28 1941.99 1951.76 1997.18 2021.03 2038.10 2056.40 2069.85 2093.25 2119.95 2162.32 2197.98 2206.63 2236.18 2249.05 2264.32 2267.44 2276.08 2291.16 2296.79 2324.78 2339.22 2347.46 2353.07 2356.79 2359.38 2360.18 2367.44 2373.60 2375.60 2382.72 2389.30 2411.34 2417.91 2445.32 2471.65 2496.22 2543.87 2555.80 2566.04 2585.50 2615.41 2620.50 2661.42 2785.77 2811.06 4565.25 4585.16 4604.55 4609.82 4617.12 4617.22 4646.95 4649.51 4675.96 4680.09 4707.64 4724.71 4728.06 4749.40 4759.93 4775.76 4787.92 4828.36 4838.47 4862.00 4881.96 4883.61 4906.94 4920.37 5518.44 5530.89 5585.94 5713.83 5723.52 0.562227 0.596738 0.597682 0.490411 -2007.117128 -2007.082617 -2007.081673 -2007.188944 3.597887D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE Cc1ccc(cc1C)N([C@H](c2ccc(cc2)OC)C(=O)NCCOC)C(=O)c3c(c(ns3)C(=O)N)N C12467371 RHF 6-31G(d) (6D,10F) C1 511.188941 |X|Y|Z| 87.806368 110.799490 35.498705 70.160407 20 6 7 16 17 2 1 |36.858105| |12.607411|36.858105| |7.584723|13.735352|36.858105| |5.013787|7.865862|13.746386|36.858105| |4.428533|6.825963|7.976156|13.779082|36.858105| |5.020126|7.938310|6.943667|7.957586|13.716131|36.858105| |7.517428|13.594434|7.929225|6.814508|7.867084|13.754248|36.858105| |6.438577|7.507815|5.013811|4.423267|5.013949|7.593663|12.603604|36.858105| |3.323126|4.512480|5.137634|7.782794|13.312064|7.816308|5.121407|3.853787|53.358707| |2.885124|3.714505|4.152047|5.687574|7.543400|5.638692|4.120680|3.307702|17.606597|36.858105| |2.553878|3.188794|3.439610|4.434363|5.764058|4.807688|3.597890|3.032728|12.650209|17.665466|0.500000| |3.049552|3.888006|4.138864|5.187455|6.583562|5.753001|4.396934|3.603430|10.331308|12.532715|0.250909|36.858105| |2.802245|3.444157|3.438366|4.011911|5.093472|5.160707|4.074803|3.616335|7.702298|7.580030|0.206272|13.663895|36.858105| |2.735828|3.228063|3.123510|3.427632|4.068672|4.338739|3.761520|3.532019|5.644368|5.020066|0.134715|7.878967|13.835410|36.858105| |2.887382|3.340854|3.254220|3.459442|3.854552|4.024011|3.705682|3.440510|5.075730|4.409565|0.111847|6.801613|7.945183|13.683059|36.858105| |3.160718|3.740538|3.826441|4.126713|4.386824|4.283511|3.942242|3.430070|5.640871|4.972338|0.117494|7.874913|6.901226|7.942109|13.747268|36.858105| |3.262652|4.088882|4.452892|5.292845|5.779993|5.082242|4.312538|3.510927|7.725353|7.459199|0.157251|13.761730|8.006243|6.901490|7.935039|13.717333|36.858105| |2.646923|2.920075|2.788804|2.859126|3.096912|3.293226|3.184733|3.112360|4.040995|3.363645|0.087760|4.595267|5.302796|8.202569|14.137827|7.869254|5.197693|73.516695| |2.610948|2.787835|2.684062|2.680114|2.781959|2.906888|2.909964|2.836255|3.569662|2.911174|0.075020|3.778493|3.992416|5.261034|8.017320|6.727772|4.515574|24.203346|36.858105| |2.615132|3.250212|3.809246|5.134369|5.577118|4.176641|3.357415|2.736006|10.486661|12.412075|0.248879|7.562902|5.129772|3.929562|3.739056|4.424647|6.425700|5.278889|2.686451|36.858105| |2.775346|3.449971|4.279729|5.904969|5.604820|4.056638|3.387481|2.708026|9.178497|7.937732|0.165457|5.911363|4.174004|3.407567|3.398806|4.156537|5.857242|4.912670|2.580536|15.822150|73.516695| |2.219691|2.658897|3.007713|3.768582|4.063688|3.318472|2.759465|2.347311|7.194407|7.852327|0.211916|5.928235|4.606710|3.655986|3.442307|3.899448|5.133220|4.988863|2.540905|14.157670|15.083077|53.358707| |1.992639|2.324461|2.641187|3.192384|3.259587|2.719659|2.351390|2.029300|5.365042|5.011698|0.135219|4.193847|3.457974|2.937425|2.863260|3.239976|3.985725|4.318434|2.268317|7.790707|12.133034|17.927787|36.858105| |1.777307|2.032083|2.248518|2.620832|2.699703|2.351620|2.069779|1.831931|4.300884|3.968341|0.111578|3.625059|3.184741|2.809982|2.745866|3.014126|3.492047|4.239677|2.234631|5.202523|8.137780|10.687179|12.580042|36.858105| |1.684410|1.924260|2.092118|2.431366|2.576530|2.285704|1.995746|1.789734|4.179824|3.841281|0.115235|3.467993|3.195002|2.794097|2.635031|2.782127|3.179856|4.094249|2.118964|4.617480|6.915833|9.325487|8.073086|13.629902|73.516695| |1.530513|1.722408|1.845054|2.095753|2.213847|2.014438|1.787963|1.631901|3.487280|3.112558|0.093002|2.952765|2.832521|2.573289|2.440186|2.516710|2.759245|3.892907|2.027087|3.525823|5.466502|6.375192|5.220058|8.115728|24.300403|36.858105| |2.884686|3.719361|4.196275|5.825008|7.710838|5.604371|4.097169|3.273979|18.990502|8.003706|0.211590|5.124213|4.276191|3.305051|2.976294|3.216767|4.103158|4.390872|2.214267|6.368030|10.227025|6.629822|3.824633|3.047088|5.389456|2.516384|36.858105| |2.451562|3.034931|3.384641|4.435577|5.367431|4.246654|3.291051|2.751915|11.664823|7.427913|0.229114|4.703652|4.030644|3.124899|2.793709|2.985957|3.756368|4.157359|2.097000|6.677451|9.976483|7.670402|4.383113|3.439021|6.263241|2.848429|15.677823|73.516695| |2.950567|3.738721|4.139228|5.326790|6.396597|5.182983|4.055551|3.293677|10.393194|5.033226|0.134695|3.819661|3.368398|2.762472|2.534410|2.705714|3.275144|3.855389|1.975116|4.370255|7.638379|4.870649|3.034752|2.502187|4.425696|2.127317|12.896320|14.615252|36.858105| |2.485980|2.991010|3.256329|3.922267|4.377168|3.798803|3.176878|2.721694|6.926594|3.914109|0.109669|3.078938|2.798786|2.353486|2.166952|2.285368|2.691997|3.363134|1.737046|3.618768|6.333445|4.295193|2.789259|2.337493|4.194461|2.033370|7.644357|12.184626|13.828132|36.858105| |2.493039|2.915747|3.101882|3.516842|3.766305|3.452157|3.049931|2.676993|5.406299|3.133838|0.086415|2.615189|2.419275|2.095984|1.954981|2.050656|2.354527|3.085554|1.609917|2.914867|5.220796|3.500338|2.326703|1.995301|3.558167|1.760646|5.122425|8.058165|8.257217|13.095039|36.858105| |2.894790|3.401262|3.555341|3.904479|4.132662|3.902972|3.542946|3.085120|5.499446|3.106594|0.083564|2.664345|2.463566|2.155422|2.026547|2.130479|2.430611|3.203926|1.676694|2.836193|5.146128|3.345426|2.209806|1.902942|3.358554|1.671565|4.840912|7.167432|7.713643|8.204480|14.858710|53.358707| |3.613666|4.618725|4.888141|5.653970|6.325689|5.800533|4.953706|3.963136|7.776876|3.966905|0.102713|3.362500|3.031793|2.598107|2.436996|2.594668|3.032253|3.772368|1.956278|3.455494|6.281183|3.893385|2.490473|2.112932|3.691829|1.818976|6.525749|8.501285|10.910871|7.475036|7.837858|15.873616|388.023441| |2.125366|2.399128|2.524376|2.775534|2.905871|2.721606|2.479379|2.247091|4.156150|2.554611|0.071335|2.184923|2.052176|1.811084|1.698520|1.768761|1.994307|2.720074|1.429558|2.435271|4.361863|3.018784|2.058561|1.798604|3.227057|1.617766|3.751916|6.321769|5.085884|7.284327|12.696457|10.771904|35.070292|36.858105| |1.908837|2.145690|2.269586|2.514542|2.634670|2.448081|2.217278|2.018957|3.868395|2.451287|0.069446|2.086423|1.965453|1.734127|1.623127|1.686713|1.900136|2.604195|1.368759|2.377104|4.224248|3.008953|2.077562|1.823953|3.301154|1.656247|3.511893|6.230020|4.443729|6.435492|8.052980|7.416170|28.263443|15.808278|73.516695| |2.100676|2.315493|2.394765|2.546458|2.624853|2.522700|2.371140|2.190561|3.622714|2.248946|0.062252|1.976518|1.871570|1.678717|1.586899|1.646963|1.830375|2.567097|1.357798|2.139818|3.860209|2.657124|1.822665|1.611611|2.877686|1.458620|3.114711|5.174801|4.062556|5.058830|7.945704|9.595198|31.273207|14.211540|15.101277|53.358707| |2.144629|2.528862|2.748144|3.279899|3.618623|3.163834|2.674132|2.340835|5.948517|3.680870|0.107346|2.880947|2.645777|2.228309|2.043454|2.142513|2.510685|3.186656|1.645963|3.538655|6.057300|4.410396|2.919496|2.457636|4.497120|2.169129|6.360771|12.567068|7.775988|14.204191|7.775660|7.277775|34.973860|6.299973|12.067043|5.968230|53.358707| |17.541037|8.821352|5.888546|4.288017|3.959996|4.583402|6.671352|6.506758|4.170531|2.635306|0.066083|2.733547|2.564877|2.496841|2.576245|2.746795|2.837963|4.245660|2.335969|2.380243|4.442863|2.783872|1.843500|1.652105|2.810119|1.442025|2.741466|4.154837|2.888436|2.470970|2.539838|4.086557|26.036443|2.180041|3.448415|2.980975|2.884381|0.500000| |17.538669|8.820704|5.891841|4.289646|3.957454|4.581696|6.671240|6.509707|4.170765|2.754913|0.068201|3.012792|2.828119|2.850133|3.072192|3.316325|3.278920|5.117209|2.879089|2.488462|4.630270|2.914254|1.922419|1.737696|2.931265|1.510130|2.637887|4.053467|2.637721|2.245812|2.229952|3.454365|22.085640|1.924744|3.107353|2.584444|2.681868|0.302701|0.500000| |17.587696|8.856466|7.325472|4.779879|3.980726|4.186225|5.556233|4.727289|4.185991|2.705653|0.066393|2.821499|2.553984|2.489365|2.657456|2.963231|3.071173|4.354219|2.462483|2.534270|4.883917|2.938751|1.969983|1.753827|2.928721|1.496932|2.712904|4.148798|2.778207|2.375707|2.389959|3.743564|23.788998|2.059713|3.302960|2.778317|2.811233|0.301964|0.301879|0.500000| |7.064319|8.938889|17.708765|8.958939|5.672147|4.987910|5.640881|4.083307|5.672823|3.543467|0.083034|3.520832|2.957922|2.740519|2.904476|3.430108|3.884031|4.527815|2.514443|3.437063|7.062155|3.783283|2.518438|2.153972|3.526858|1.758529|3.585208|5.336784|3.582929|2.944571|2.851016|4.400497|29.553150|2.378591|3.824919|3.103157|3.442396|0.153143|0.153287|0.227110|0.500000| |4.089501|5.610348|8.872169|17.762217|8.956179|5.661533|4.925252|3.541564|9.737679|5.650560|0.122002|4.845786|3.681264|3.139292|3.187097|3.851490|5.016872|4.716222|2.516359|5.815039|13.459101|5.649535|3.595526|2.855089|4.613280|2.205324|5.836558|8.263990|5.194876|3.963667|3.480974|5.068451|35.830582|2.781495|4.547439|3.431386|4.623834|0.099281|0.099453|0.113674|0.214900|0.500000| |4.084285|5.641148|4.989402|5.670423|8.966895|17.726241|8.928962|7.055693|9.868103|5.584852|0.142356|5.747993|5.749585|4.715388|4.076528|4.073334|4.701818|5.951094|2.867264|3.962490|6.530873|4.442330|2.647272|2.326248|4.105866|2.048041|5.497171|7.657221|4.998060|3.765530|3.386884|5.087214|37.374016|2.696870|4.348383|3.386469|4.346080|0.107678|0.107643|0.096053|0.108130|0.124785|0.500000| |6.502968|6.660015|4.576589|3.954876|4.287330|5.893129|8.816644|17.539660|4.616980|3.049888|0.077569|3.442003|3.490788|3.581247|3.627437|3.576649|3.488038|6.015670|3.135246|2.574894|4.545778|3.043431|1.950041|1.780433|3.076934|1.590935|2.874390|4.398262|2.832951|2.385970|2.336938|3.596255|23.343049|1.998910|3.230860|2.658973|2.849760|0.173434|0.211776|0.133105|0.107646|0.090186|0.153024|0.500000| |6.498531|6.655736|4.572439|3.951957|4.289469|5.896351|8.815150|17.539103|4.615983|2.889530|0.074490|3.041606|3.028276|2.945411|2.877977|2.888821|2.969696|4.718029|2.466469|2.455086|4.366986|2.895389|1.867517|1.688478|2.937399|1.511761|3.009603|4.528259|3.150493|2.661365|2.701362|4.327399|28.166842|2.289607|3.619573|3.097052|3.096315|0.211494|0.173431|0.133029|0.107536|0.090025|0.153161|0.302547|0.500000| |4.727836|5.553538|4.183866|3.977888|4.781277|7.337420|8.857386|17.588538|5.311130|3.389481|0.088647|3.701143|3.902710|3.798310|3.524887|3.374761|3.453069|5.659992|2.813535|2.733545|4.691089|3.231436|2.032865|1.847714|3.251282|1.672241|3.342258|5.040253|3.325188|2.763428|2.689375|4.149607|27.454455|2.261712|3.632677|2.980052|3.260969|0.133146|0.133214|0.103932|0.096051|0.090635|0.226878|0.302131|0.302043|0.500000| |2.585079|3.147072|3.120964|3.647004|4.715563|4.849006|3.773841|3.436812|7.567094|7.071757|0.227109|8.897070|17.696645|8.992529|5.657625|4.965100|5.671776|7.627513|3.337607|4.738334|6.771975|6.000518|3.319611|3.075995|5.698916|2.849870|4.469686|7.682811|3.512577|2.953138|2.526159|3.456784|21.932123|2.144504|3.668727|2.643313|3.842063|0.067116|0.071742|0.065399|0.074910|0.093611|0.160150|0.090100|0.081414|0.106139|0.500000| |2.496209|2.868469|2.729108|2.937355|3.453096|3.771031|3.355789|3.309098|4.801828|4.092851|0.114807|5.609952|8.895404|17.736638|8.950886|5.661775|4.968404|13.481724|4.871429|3.295554|5.136050|4.289456|2.599321|2.536239|4.575494|2.424396|2.938364|4.999015|2.518857|2.187003|1.968519|2.749122|16.983243|1.720426|2.937004|2.182278|2.837775|0.064404|0.072653|0.063013|0.067245|0.075034|0.116862|0.093759|0.077766|0.101276|0.215503|0.500000| |3.152704|3.591615|3.705620|3.829493|3.832267|3.722064|3.601342|3.167574|4.825305|4.071461|0.097289|5.639693|4.970518|5.634836|8.870903|17.762320|8.960183|12.473497|7.447802|3.865934|6.782386|4.703264|3.010186|2.826255|4.559140|2.346592|2.843860|4.709998|2.454113|2.100175|1.909630|2.709226|17.015728|1.662464|2.819275|2.122574|2.682981|0.075301|0.093150|0.083924|0.095633|0.101034|0.096347|0.093570|0.075506|0.084587|0.107794|0.124147|0.500000| |3.337120|4.184061|4.903596|5.980144|5.810605|4.734210|4.130424|3.281096|7.594395|6.882995|0.141663|8.936590|5.671820|4.969131|5.660668|8.964454|17.745857|7.462456|3.920172|7.066145|13.057826|7.252959|4.304518|3.621962|5.644090|2.718155|4.129580|6.699711|3.327234|2.738159|2.397460|3.368538|21.925032|2.029671|3.437024|2.533305|3.468103|0.079728|0.091330|0.089772|0.122226|0.168332|0.116471|0.090064|0.078861|0.087422|0.124350|0.107827|0.218278|0.500000| |2.376118|2.485329|2.370129|2.349583|2.440834|2.573781|2.599901|2.602882|3.150590|2.534494|0.066472|3.174621|3.416975|4.418095|5.883696|4.904540|3.618770|17.004018|17.645154|2.346957|4.009396|3.059373|2.031187|2.022044|3.445804|1.879004|1.992285|3.373394|1.799605|1.600110|1.494045|2.115714|12.735010|1.337715|2.281190|1.737758|2.071509|0.059974|0.073004|0.062333|0.062117|0.061442|0.071314|0.080241|0.063794|0.072271|0.082294|0.121320|0.145714|0.089155|0.500000| |2.436207|2.613344|2.588929|2.619662|2.679499|2.713952|2.678063|2.551109|3.495696|2.905352|0.074664|3.729013|3.800303|4.765482|7.037407|6.731285|4.579265|16.438872|17.560419|2.769016|4.748615|3.618744|2.406712|2.401415|3.989531|2.155884|2.180946|3.712857|1.931658|1.707188|1.574348|2.215985|13.435725|1.402189|2.398750|1.806612|2.218531|0.060493|0.073350|0.064914|0.068225|0.069734|0.073784|0.076783|0.062369|0.069995|0.088358|0.119971|0.223940|0.113304|0.299986|0.500000| |2.974281|3.128948|2.972856|2.886579|2.939758|3.099961|3.204348|3.116335|3.655132|2.904003|0.073560|3.729909|3.799331|4.764584|7.039879|6.733303|4.580690|16.438918|17.560621|2.678860|4.668223|3.371130|2.215275|2.142025|3.584334|1.908415|2.252576|3.737718|2.029739|1.773753|1.655377|2.369472|14.549317|1.464475|2.477422|1.901355|2.264701|0.072679|0.093203|0.077826|0.077621|0.074397|0.083052|0.098017|0.074883|0.083753|0.088315|0.119879|0.223999|0.113352|0.299965|0.298980|0.500000| |2.105989|2.508470|2.763703|3.403060|3.807954|3.223366|2.661548|2.307046|6.854477|7.502459|0.242328|5.759637|4.858087|3.783079|3.414405|3.686109|4.668658|4.975419|2.487160|9.428148|10.902753|26.058946|9.147285|7.270174|13.827877|5.210556|4.770154|10.242750|3.504674|3.135210|2.542887|3.280954|19.746160|2.205615|3.933836|2.635181|4.461485|0.054418|0.056717|0.056383|0.070403|0.100573|0.090866|0.060887|0.058063|0.065861|0.135945|0.092197|0.089398|0.126531|0.061680|0.071650|0.066561|0.500000| |1.901327|2.208105|2.508558|3.025380|3.082795|2.575229|2.230970|1.932851|5.107607|4.472113|0.124122|3.624588|3.065153|2.609152|2.516518|2.797497|3.386512|3.848998|2.026050|6.479266|10.619844|12.387390|17.544416|8.910785|12.866564|4.820592|3.864112|8.179343|3.123528|2.957070|2.442605|3.098992|17.874391|2.180614|3.966766|2.600563|4.339575|0.049328|0.050572|0.052333|0.066747|0.095192|0.069829|0.051217|0.049918|0.053844|0.083815|0.065163|0.072571|0.100971|0.050924|0.059068|0.055292|0.208438|0.500000| |2.075945|2.413286|2.793677|3.358812|3.289350|2.717533|2.387938|2.042671|5.190975|4.675525|0.119019|4.063330|3.276348|2.842645|2.860670|3.340263|4.113333|4.329575|2.318722|7.383989|13.702605|12.587750|17.640795|8.896657|10.269342|4.263755|3.616070|7.007937|2.935915|2.673742|2.268357|2.971168|17.590209|2.005182|3.566652|2.438003|3.725293|0.052897|0.055540|0.057649|0.075212|0.107830|0.071968|0.054838|0.052280|0.056107|0.085231|0.069366|0.088377|0.130213|0.057348|0.068916|0.063572|0.180655|0.301967|0.500000| |1.657100|1.870673|2.070703|2.375992|2.403269|2.108493|1.884955|1.678594|3.742199|3.297920|0.091851|3.039444|2.703106|2.436616|2.412245|2.642642|2.992623|3.800456|2.036827|4.215402|7.020891|7.700540|8.887451|17.491495|16.523859|7.215603|2.692082|5.346800|2.275348|2.158751|1.867405|2.420933|13.843783|1.705021|3.089231|2.089533|3.101909|0.042930|0.044973|0.045765|0.055832|0.072232|0.057644|0.045441|0.043331|0.046803|0.072698|0.061812|0.070286|0.087331|0.051656|0.060912|0.054509|0.145341|0.215811|0.213263|0.500000| |1.817937|2.071907|2.278333|2.627246|2.702494|2.380657|2.110164|1.873942|4.213686|3.953355|0.108958|3.848088|3.392722|3.060228|3.050361|3.372358|3.832045|4.704341|2.488398|5.014303|7.868299|9.626600|8.871066|17.502158|16.546154|7.308576|2.886511|5.615400|2.377520|2.190586|1.890955|2.487368|14.570669|1.699315|3.036080|2.090891|3.077106|0.046650|0.049820|0.049771|0.060600|0.078568|0.065336|0.051071|0.047666|0.052435|0.088746|0.076114|0.088224|0.109337|0.062106|0.075583|0.065516|0.181355|0.174004|0.214640|0.300071|0.500000| |1.443152|1.610384|1.729757|1.947651|2.026120|1.844128|1.655245|1.513705|3.144044|2.733395|0.080094|2.592588|2.468269|2.271661|2.189596|2.275603|2.474155|3.536805|1.870986|3.128785|5.022400|5.455651|4.727506|7.203957|16.471877|17.511310|2.286844|4.564192|1.968256|1.899340|1.660434|2.144575|12.077354|1.539800|2.812467|1.896996|2.762562|0.037830|0.039513|0.039451|0.046232|0.057265|0.051694|0.041078|0.039193|0.042846|0.068524|0.059621|0.059899|0.068763|0.048429|0.055430|0.049215|0.117898|0.125680|0.111914|0.214270|0.176679|0.500000| |1.550844|1.740090|1.852875|2.088680|2.206949|2.027203|1.808751|1.658218|3.428106|3.092596|0.091298|3.057990|2.973258|2.759989|2.640256|2.701528|2.901493|4.236611|2.205013|3.439351|5.336844|6.071181|4.751396|7.204118|16.463974|17.510653|2.416540|4.757662|2.043892|1.930513|1.684471|2.199889|12.608957|1.541959|2.783557|1.905318|2.758905|0.040436|0.042813|0.042066|0.049016|0.060559|0.057286|0.045243|0.042461|0.047211|0.081849|0.072323|0.070049|0.078415|0.056753|0.065831|0.056952|0.135899|0.116217|0.112607|0.173770|0.217544|0.299494|0.500000| |1.476038|1.658710|1.760721|1.994312|2.131560|1.961124|1.737034|1.598863|3.371218|2.965762|0.090829|2.797106|2.752049|2.496281|2.322701|2.350003|2.562000|3.727752|1.924207|3.232313|4.984406|5.658808|4.365895|5.854220|16.888328|17.621522|2.466069|5.002507|2.099623|2.026946|1.755420|2.256474|12.729429|1.621942|2.967105|1.987723|2.970951|0.038870|0.040449|0.039925|0.046416|0.057753|0.056004|0.043154|0.041249|0.045842|0.078777|0.066370|0.060476|0.069248|0.049921|0.056179|0.050297|0.133251|0.116877|0.100022|0.146824|0.147780|0.299841|0.299654|0.500000| |2.285388|2.505632|2.564356|2.680148|2.746225|2.675624|2.555667|2.367011|3.689437|2.263718|0.062010|2.010310|1.902906|1.714340|1.626837|1.689989|1.872243|2.634517|1.395798|2.134510|3.871349|2.623696|1.790045|1.582431|2.809875|1.425883|3.107140|5.032254|4.089515|4.768045|7.495848|11.084104|34.427793|9.335618|10.825022|26.098145|5.374526|0.067032|0.056871|0.061514|0.067728|0.072675|0.072678|0.058218|0.069269|0.065192|0.054540|0.045432|0.044527|0.052879|0.036444|0.037754|0.040098|0.052887|0.051638|0.049162|0.041784|0.042177|0.037791|0.038227|0.039526|0.500000| 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