Version2.1 2021-01-14T22:26:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)CCc4ccccc4 C39606878 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)CCc4ccccc4 C01[X(C27H36N3O2)] 198 C1 552 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCc1ccccc1)NCc1ccc(cc1C)C O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCc1ccccc1)NCc1ccc(cc1C)C Cc1ccc(CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)CCc4ccccc4)c(C)c1 InChIKey=AIKXQVUGJDEQAC-DEOSSOPVSA-O InChI=1S/C27H35N3O2/c1-20-8-10-23(21(2)16-20)17-29-26(32)24-18-30(19-27(24)12-14-28-15-13-27)25(31)11-9-22-6-4-3-5-7-22/h3-8,10,16,24,28H,9,11-15,17-19H2,1-2H3,(H,29,32)/p+1/t24-/m0/s1 InChI=1/C27H35N3O2/c1-20-8-10-23(21(2)16-20)17-29-26(32)24-18-30(19-27(24)12-14-28-15-13-27)25(31)11-9-22-6-4-3-5-7-22/h3-8,10,16,24,28H,9,11-15,17-19H2,1-2H3,(H,29,32)/p+1/t24-/m0/s1/fC27H36N3O2/h28-29H/q+1 Cc1ccc(c(c1)C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)CCc4ccccc4 C01[X(C27H36N3O2)] 198 C01 552 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)CCc1ccccc1)NCc1ccc(cc1C)C O=C(N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C]1[CH][CH][C]([CH][C]1C)C)=O)CC[C]1[CH][CH][CH][CH][CH]1 C[C]1[CH][CH][C](CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)CC[C]4[CH][CH][CH][CH][CH]4)[C](C)[CH]1 InChIKey=PTBMWAUVFYXMTQ-DEOSSOPVSA-N InChI=1S/C27H36N3O2/c1-20-8-10-23(21(2)16-20)17-29-26(32)24-18-30(19-27(24)12-14-28-15-13-27)25(31)11-9-22-6-4-3-5-7-22/h3-8,10,16,24H,9,11-15,17-19,28H2,1-2H3,(H,29,32)/t24-/m0/s1 InChI=1/C27H36N3O2/c1-20-8-10-23(21(2)16-20)17-29-26(32)24-18-30(19-27(24)12-14-28-15-13-27)25(31)11-9-22-6-4-3-5-7-22/h3-8,10,16,24H,9,11-15,17-19,28H2,1-2H3,(H,29,32)/t24-/m0/s1/f/h29H 3144.4909929207 -1356.3393704 1-A 20130.0791 117 435 552 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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|A|A|A| 8.3304 17.2714 19.4445 23.2791 27.8006 30.6610 41.1020 44.5777 51.3965 65.4238 69.6599 88.3588 108.8476 137.3339 142.6828 145.7231 167.9145 176.6262 189.0137 201.2350 214.1467 222.9953 235.1932 262.0626 286.5922 288.5079 303.4343 323.3238 338.1228 350.2868 367.3363 378.9593 390.3565 429.8067 455.8811 467.2839 478.2115 491.5706 494.6398 503.0902 530.4801 545.3924 551.6971 554.8452 594.7092 600.2814 613.1287 627.5722 634.9640 681.4924 683.7173 704.9165 767.0952 778.0922 785.6640 797.7841 808.6308 823.1376 845.1482 860.0368 862.2666 875.7697 881.3234 908.8478 933.0401 943.1421 945.8510 953.6192 958.2431 987.5494 1005.4285 1008.8641 1033.8136 1052.9746 1060.4301 1069.1599 1081.5565 1087.2891 1090.0711 1097.4043 1100.2251 1102.2205 1105.0312 1112.5711 1115.5243 1122.3630 1128.8391 1131.2353 1132.7065 1137.4874 1153.5974 1156.4455 1171.5989 1174.5978 1176.7650 1183.7465 1219.3857 1235.2097 1239.2051 1245.1380 1254.1191 1283.2628 1285.3607 1302.1759 1312.9479 1320.7974 1321.3128 1328.2684 1335.3038 1345.9672 1353.5541 1357.8718 1359.7340 1375.2464 1387.3071 1403.1666 1417.1507 1439.9466 1447.1545 1448.6703 1452.8312 1455.8278 1463.2020 1485.7111 1487.9288 1502.7676 1517.9470 1524.2864 1538.7790 1547.9206 1551.7162 1560.0138 1565.2425 1568.1377 1569.8922 1575.8600 1582.4402 1583.8314 1611.6730 1620.9200 1631.1814 1634.5637 1636.9329 1639.7273 1639.9755 1642.2008 1646.6816 1649.1108 1661.7399 1671.1609 1671.8898 1679.3385 1683.1214 1689.2455 1701.2664 1773.8418 1785.1975 1812.2337 1821.5912 1825.3912 1902.4069 1944.3093 3196.1996 3205.2809 3205.8817 3206.1822 3209.0776 3218.4248 3238.8154 3245.3638 3245.5176 3253.1330 3255.8751 3257.2630 3264.4122 3266.2605 3275.0326 3280.9198 3289.4546 3290.1840 3292.1409 3297.9157 3303.5439 3311.0376 3316.3712 3334.8705 3342.3174 3344.5916 3347.1069 3349.3697 3352.4429 3365.4597 3375.4056 3376.0463 3390.2582 3659.4588 3728.7360 3880.6058 4.3413 4.4312 3.7289 4.4142 1.8972 1.5167 4.4946 4.2442 5.0482 3.8308 4.1117 4.5623 2.7054 2.5816 1.2375 4.2270 3.4695 4.2034 2.7846 4.2721 4.8599 2.7292 4.0153 2.3028 4.1808 4.4768 2.7690 3.2266 2.3538 6.7178 2.3919 2.2458 2.3190 3.1984 2.9224 3.1143 2.6120 3.1245 2.1012 2.1026 2.5023 4.1135 2.6417 2.3149 4.4957 3.7026 3.7482 2.3248 3.0720 6.3164 2.6732 4.0003 4.3861 3.0409 2.6072 3.8949 3.3150 3.9278 1.7410 1.5359 3.1473 1.7175 3.2280 3.5863 1.4031 1.8385 2.4675 2.4721 1.2484 2.5408 1.2936 3.0345 1.5111 2.1738 1.9849 1.9800 1.8356 1.6838 5.6227 1.4879 1.3895 1.9203 1.9996 1.9591 2.0744 1.9266 1.3903 2.1166 2.1506 2.2859 2.8141 2.9581 1.7816 1.6200 2.6252 1.8196 2.0617 2.3859 1.8937 2.1382 1.6045 1.4596 1.1710 1.1834 2.0935 1.8270 2.3611 1.2119 1.8372 1.2391 1.5597 1.8873 1.8655 2.6380 1.6602 1.6495 1.6619 1.1882 1.2983 1.2545 1.2845 1.3291 1.3526 1.5871 1.2528 1.4797 1.6312 1.5478 1.6318 1.4289 1.6092 1.2208 1.5065 1.3115 1.4301 1.9012 1.3786 2.3433 1.1414 2.1114 1.0477 1.0547 1.0755 1.0947 1.0872 1.1778 1.0953 1.0894 1.0886 1.1234 2.1897 1.0901 2.3213 1.0952 2.2032 5.6883 5.2039 5.3049 5.7011 1.0782 9.0185 11.7737 1.0836 1.0705 1.0395 1.0659 1.0379 1.0639 1.1000 1.0643 1.0640 1.0669 1.1015 1.0662 1.1022 1.1035 1.0625 1.0628 1.1027 1.1054 1.1008 1.1020 1.0925 1.1010 1.1034 1.1114 1.1100 1.0890 1.0894 1.0898 1.0916 1.0909 1.0952 1.0951 1.0988 1.0571 1.0951 1.0794 0.0002 0.0008 0.0008 0.0014 0.0009 0.0008 0.0045 0.0050 0.0079 0.0097 0.0118 0.0210 0.0189 0.0287 0.0148 0.0529 0.0576 0.0773 0.0586 0.1019 0.1313 0.0800 0.1309 0.0932 0.2023 0.2195 0.1502 0.1987 0.1585 0.4857 0.1902 0.1900 0.2082 0.3481 0.3578 0.4007 0.3519 0.4448 0.3029 0.3136 0.4149 0.7209 0.4737 0.4199 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7.3057 7.1776 7.1908 7.2031 7.2280 7.2797 7.3520 7.3542 7.4411 8.3408 8.9709 9.5774 0.1708 0.4451 0.2856 2.1500 0.1560 0.3827 0.7227 2.2914 3.1945 5.7258 9.8050 4.2578 6.6373 2.1209 0.9038 2.6292 2.6998 0.6541 2.8181 7.0454 8.8636 3.2390 10.7464 4.0142 11.0814 7.4082 2.3653 0.7548 2.6802 5.7968 0.5869 9.9931 3.1966 2.0875 0.0041 5.4467 4.6013 4.9906 29.8257 34.4511 10.3838 2.9683 2.3507 19.7701 0.0690 13.5057 9.3532 10.7111 1.0414 0.0075 1.8118 19.8781 18.6229 5.7555 27.1114 5.7605 0.4488 4.9550 33.1208 4.9866 5.8954 3.6588 0.2897 15.9821 26.2683 12.3992 6.6271 2.7457 0.0018 2.0827 2.9168 0.8030 0.4835 18.3851 7.4632 8.6680 2.0841 3.0679 1.6255 4.4306 0.3572 15.7491 7.1895 3.4526 5.1334 1.9452 0.7423 0.8075 4.2487 6.4611 0.7277 15.7114 3.7188 6.7026 8.1294 2.5005 0.2219 0.4998 3.4655 0.4959 13.1704 29.5680 1.4702 0.3950 1.8177 23.5615 0.9089 16.5418 1.3533 36.1960 2.9973 22.2892 68.9694 29.4302 14.2461 87.6529 36.4951 2.4964 3.7550 6.7376 11.0391 9.0817 16.6743 106.0480 0.4184 34.1191 45.7282 3.6751 7.4414 3.8991 14.9259 14.5333 3.7637 17.4573 6.1061 1.1522 77.7841 328.4059 20.2182 8.4387 6.8744 3.2658 3.5091 3.9874 0.9025 19.9588 4.5226 5.9887 30.6930 52.0543 17.7360 2.8531 8.8372 5.5071 683.8426 4.1466 2.4617 5.8353 20.0864 118.8526 357.1926 357.6586 4.7127 37.8873 35.3069 15.0276 28.1070 33.5104 8.4606 13.7588 15.0414 23.8295 33.9462 4.8747 23.2600 27.2413 7.7244 4.3442 19.8567 15.6521 23.1328 2.6853 27.7263 11.3717 3.1959 4.7682 5.2708 14.7356 11.7046 20.6656 12.9978 4.2200 18.5074 40.3427 21.4299 68.1909 89.9893 43.3298 1.2938 2.7055 3.3549 0.3865 4.1063 3.2619 4.5047 1.1962 1.1765 0.1576 0.3754 0.7933 0.5886 1.8289 0.7922 1.4537 0.1945 2.4992 0.3284 1.1648 1.5150 2.1352 0.5096 0.1101 0.6410 1.6353 1.1776 0.2465 0.7192 3.2104 0.0096 0.4819 0.8163 1.9397 0.0333 0.7395 0.1154 0.8890 0.7398 1.2144 2.0627 2.8316 0.5509 1.7905 10.6695 1.3392 1.0213 0.3190 0.3664 4.6425 0.9714 6.2521 1.5317 6.7880 4.9220 2.3500 10.8474 3.1649 4.9902 0.7128 5.0055 1.4336 2.3475 3.5660 1.7156 4.7821 11.0741 3.6232 3.0302 2.3927 2.9005 6.5626 0.9838 10.9850 1.1774 1.8258 3.2406 5.0537 22.6407 2.8264 0.0508 8.9301 4.9796 3.4153 5.1934 3.5389 1.4536 6.7081 5.5662 10.3464 6.0368 4.9895 2.4054 0.5548 3.1428 0.0752 4.6924 4.6746 6.4578 1.1961 2.8145 5.7133 2.0921 4.0414 0.5980 3.1760 7.6919 0.9683 3.0954 9.3385 0.4457 12.4892 3.1767 1.5814 8.5443 3.1301 5.0489 13.6381 3.3203 6.9539 3.6767 24.7523 0.9990 2.5459 0.4910 4.1949 1.9636 3.8157 6.4147 1.5949 10.0589 2.2680 16.8902 5.2072 3.5388 7.6301 0.6121 1.4081 13.9961 0.3193 19.4776 17.5448 9.4598 8.8224 21.8501 10.1428 0.6217 3.1875 5.5662 11.0995 0.7915 4.5158 6.6000 9.1029 8.0220 9.7582 8.0269 29.4361 49.1387 5.4085 6.5511 9.8467 19.4130 89.0073 99.1642 12.6270 189.6833 64.6139 34.2353 17.7985 100.9897 70.9903 85.6477 61.3572 94.6444 49.2313 94.3989 96.0767 64.2970 25.0184 47.3387 40.9457 69.8086 38.1224 52.0573 71.5058 42.0321 41.8502 50.6251 35.1663 91.5400 102.4329 138.4558 44.9270 246.3457 64.7931 69.0587 27.2630 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0.6021 0.4746 0.3714 0.2376 0.6611 0.8569 0.8158 0.8475 0.8556 0.3014 0.8466 0.7940 0.8058 0.8096 0.8549 0.8431 0.3139 0.6156 0.2303 0.4948 0.3747 0.8567 0.8374 0.4395 0.3667 0.8365 0.6587 0.8115 0.6300 0.8515 0.7436 0.8002 0.7772 0.8486 0.6158 0.5276 0.8478 0.6167 0.6902 0.6837 0.8100 0.7833 0.7994 0.8558 0.5772 0.8463 0.7563 0.7186 0.8570 0.3875 0.7972 0.8560 0.8484 0.8506 0.8571 0.8368 0.8561 0.8389 0.8457 0.7158 0.8446 0.8536 0.8407 0.8561 0.7566 0.8515 0.5560 0.6889 0.8571 0.7611 0.7420 0.8506 0.5347 0.5667 0.4812 0.2033 0.0622 0.8220 0.0740 0.1135 0.8570 0.6369 0.1383 0.1513 0.8417 0.1699 0.8548 0.7061 0.2651 0.1219 0.8544 0.8187 0.8444 0.7818 0.3091 0.6682 0.8213 0.7978 0.7969 0.6549 0.7517 0.7902 0.5147 0.6969 0.3352 0.8567 0.2011 0.1946 0.7034 0.2306 298.150 1.00000 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 6 6 6 6 6 6 6 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 6 6 6 6 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 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 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 1.00783 1.00783 1.00783 18576.3470 18864.8549 34533.2999 0.04117 0.99915 0.00155 0.99915 -0.04117 0.00046 -0.00053 -0.00153 1.00000 1 0.00466 0.00459 0.00251 0.09715 0.09567 0.05226 11.99 24.85 27.98 33.49 40.00 44.11 59.14 64.14 73.95 94.13 100.23 127.13 156.61 197.59 205.29 209.66 241.59 254.13 271.95 289.53 308.11 320.84 338.39 377.05 412.34 415.10 436.57 465.19 486.48 503.98 528.51 545.24 561.64 618.40 655.91 672.32 688.04 707.26 711.68 723.83 763.24 784.70 793.77 798.30 855.65 863.67 882.16 902.94 913.57 980.52 983.72 1014.22 1103.68 1119.50 1130.40 1147.83 1163.44 1184.31 1215.98 1237.40 1240.61 1260.04 1268.03 1307.63 1342.44 1356.97 1360.87 1372.05 1378.70 1420.86 1446.59 1451.53 1487.43 1515.00 1525.72 1538.28 1556.12 1564.37 1568.37 1578.92 1582.98 1585.85 1589.89 1600.74 1604.99 1614.83 1624.15 1627.60 1629.71 1636.59 1659.77 1663.87 1685.67 1689.98 1693.10 1703.15 1754.42 1777.19 1782.94 1791.48 1804.40 1846.33 1849.35 1873.54 1889.04 1900.33 1901.07 1911.08 1921.20 1936.55 1947.46 1953.67 1956.35 1978.67 1996.03 2018.84 2038.96 2071.76 2082.13 2084.31 2090.30 2094.61 2105.22 2137.61 2140.80 2162.15 2183.99 2193.11 2213.96 2227.11 2232.57 2244.51 2252.03 2256.20 2258.72 2267.31 2276.78 2278.78 2318.84 2332.14 2346.91 2351.77 2355.18 2359.20 2359.56 2362.76 2369.21 2372.70 2390.87 2404.43 2405.48 2416.19 2421.64 2430.45 2447.74 2552.16 2568.50 2607.40 2620.86 2626.33 2737.14 2797.43 4598.62 4611.68 4612.55 4612.98 4617.15 4630.60 4659.93 4669.35 4669.58 4680.53 4684.48 4686.47 4696.76 4699.42 4712.04 4720.51 4732.79 4733.84 4736.66 4744.97 4753.06 4763.84 4771.52 4798.13 4808.85 4812.12 4815.74 4819.00 4823.42 4842.15 4856.46 4857.38 4877.83 5265.14 5364.82 5583.33 0.640548 0.669854 0.670798 0.573725 -1355.698822 -1355.669517 -1355.668572 -1355.765645 3.255844D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE Cc1ccc(c(c1)C)CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)CCc4ccccc4 C39606878 RHF 6-31G(d) (6D,10F) C1 434.280753 |X|Y|Z| 97.943073 97.582749 31.853013 67.271704 28 6 7 25 3 |36.858105| |12.612208|36.858105| |7.538318|13.763872|36.858105| |5.015169|7.930103|13.739249|36.858105| |4.412999|6.787627|7.878500|13.751827|36.858105| |4.999464|7.821163|6.828409|7.930613|13.587223|36.858105| |7.561153|13.671335|7.997007|6.955239|7.946188|13.754664|36.858105| |3.794401|5.001096|4.427480|5.006948|7.481469|12.587274|7.599816|36.858105| |3.268908|4.412550|5.027659|7.624870|12.604277|7.480754|5.012102|6.363355|36.858105| |2.941094|3.802308|4.209306|5.743979|7.793406|5.877660|4.277212|5.513367|12.989001|53.358707| |2.438827|3.003607|3.265534|4.163178|5.129567|4.273019|3.325377|4.352539|7.755087|19.398479|36.858105| |2.235769|2.714079|2.940163|3.699381|4.484967|3.794866|2.993008|3.965157|6.842749|11.600473|15.750702|73.516695| |2.216504|2.643131|2.830382|3.409666|3.929942|3.476167|2.873058|3.549241|4.987630|10.672647|12.468867|14.155926|36.858105| |2.200210|2.608522|2.858596|3.439869|3.768755|3.247260|2.750694|3.170366|4.637681|9.370359|9.060998|11.481947|17.498207|0.500000| |2.304866|2.719901|2.815722|3.261933|3.770814|3.558167|3.003983|3.709438|4.334832|8.758570|7.318133|9.352495|12.374570|0.247848|36.858105| |1.980548|2.266620|2.332048|2.624706|2.929814|2.807961|2.459990|2.942992|3.294113|5.975639|5.109698|7.442628|8.149638|0.192430|13.112660|53.358707| |1.794934|2.045742|2.134890|2.421574|2.670699|2.505275|2.193553|2.611303|3.091479|5.447153|5.007200|7.815995|8.051522|0.200006|7.871899|17.880999|36.858105| |1.888156|2.192293|2.313117|2.701658|3.053192|2.794732|2.373334|2.937821|3.759604|6.817440|7.285705|11.741983|12.303037|0.248324|7.827780|11.042296|12.379872|36.858105| |1.746606|2.012674|2.158541|2.523177|2.768318|2.481288|2.134661|2.546806|3.423792|5.770888|5.907457|10.947147|7.481738|0.201304|5.012053|6.989391|7.414311|12.382701|36.858105| |1.542625|1.748092|1.850376|2.115686|2.303787|2.116728|1.852627|2.202248|2.760308|4.399770|4.161370|7.989220|4.860496|0.129009|3.828134|5.670874|5.908196|7.443098|12.513147|36.858105| |1.526177|1.729145|1.805703|2.058474|2.284497|2.137975|1.859773|2.286672|2.744571|4.281262|4.027140|8.082526|4.399844|0.109354|3.623322|5.247642|5.024190|6.483862|7.730223|12.659599|53.358707| |1.414029|1.586710|1.649880|1.859435|2.044176|1.929939|1.699348|2.061960|2.408213|3.673668|3.322215|6.576780|3.581089|0.091195|3.078565|4.508364|4.180969|4.903323|5.691321|9.157511|25.692234|0.500000| |1.570287|1.789791|1.876139|2.158092|2.411304|2.238973|1.929850|2.400099|2.953400|4.511832|4.285317|9.195864|4.349078|0.107582|3.488880|4.797541|4.354262|5.910093|7.171352|9.208977|25.647927|0.327406|0.500000| |1.598057|1.813388|1.866250|2.117331|2.391984|2.287856|1.980731|2.509170|2.845935|4.548499|4.264918|8.129214|4.846652|0.113132|4.267376|6.376354|5.957911|7.426545|6.485350|7.628659|17.221718|0.254415|0.255622|36.858105| |1.829292|2.115233|2.183533|2.524762|2.925868|2.773886|2.340293|3.067369|3.589831|6.118949|6.208704|11.283275|7.430412|0.152568|6.176208|8.512535|7.537566|12.307310|7.519478|6.472570|10.488101|0.157824|0.198278|12.505983|36.858105| |1.878310|2.103702|2.129346|2.328678|2.556045|2.515990|2.271074|2.638854|2.756873|4.728730|3.792972|5.760898|5.179686|0.132324|7.543099|18.978785|7.818537|5.239988|3.853651|3.390204|4.356604|0.079560|0.081081|3.854720|4.606821|36.858105| |1.681593|1.859063|1.884644|2.044627|2.214574|2.176127|1.987028|2.277113|2.386465|3.963605|3.205405|5.061961|4.214752|0.111038|5.298977|11.650755|7.060907|4.612609|3.626103|3.371561|4.299854|0.080324|0.078383|3.760023|4.141876|15.873705|73.516695| |2.042855|2.270182|2.250072|2.409690|2.643343|2.681074|2.467396|2.809909|2.735907|4.602636|3.453945|5.205389|4.327413|0.111595|6.490718|10.556997|5.004083|4.000723|3.091403|2.727865|3.588731|0.066407|0.068738|3.113020|3.707981|12.564351|14.153759|36.858105| |1.841640|1.994859|1.958026|2.052463|2.213174|2.270285|2.144766|2.376863|2.254522|3.627331|2.707221|4.233593|3.231010|0.085278|4.275541|6.847327|3.830343|3.123415|2.551693|2.343719|3.108873|0.058898|0.059413|2.658091|2.986352|7.505571|12.117575|12.431006|36.858105| |1.935256|2.061022|1.985259|2.036248|2.180157|2.285371|2.214021|2.379870|2.156663|3.383336|2.444834|3.840942|2.787945|0.074072|3.585432|5.214939|3.031263|2.621975|2.194570|2.014874|2.695902|0.051355|0.052367|2.267026|2.541998|4.913532|7.886015|7.561455|12.580377|36.858105| |1.974638|2.072046|2.000564|2.020744|2.116815|2.204548|2.178871|2.232357|2.059815|3.194731|2.272558|3.569012|2.562256|0.069865|3.198689|4.532514|2.708966|2.372127|2.033200|1.858203|2.454325|0.046861|0.047952|2.016940|2.252778|4.062435|6.619909|5.697081|7.542856|13.702039|36.858105| |2.016183|2.069673|1.967442|1.948462|2.024335|2.138553|2.163859|2.153563|1.933098|2.927379|2.052509|3.255440|2.246706|0.061298|2.724272|3.740108|2.296917|2.072259|1.804511|1.656867|2.204331|0.042288|0.043449|1.795056|1.992304|3.185804|5.234264|4.181962|5.007975|7.889931|13.750908|36.858105| |2.016820|2.056621|1.921670|1.895054|1.990584|2.144920|2.183150|2.200247|1.892281|2.827799|1.978618|3.166681|2.127541|0.057189|2.562240|3.476893|2.150737|1.974130|1.717385|1.587489|2.142907|0.041226|0.042421|1.755321|1.941403|2.913353|4.787128|3.764727|4.421197|6.816404|7.933349|13.750541|36.858105| |1.975365|2.045912|1.907802|1.907218|2.042267|2.218775|2.218637|2.340729|1.965515|2.954208|2.087631|3.349544|2.249582|0.059378|2.746154|3.754201|2.299504|2.109345|1.809768|1.680428|2.296200|0.044152|0.045350|1.911189|2.115628|3.180982|5.201178|4.177600|5.006910|7.889285|6.893054|7.958528|13.752071|36.858105| |1.936386|2.048330|1.938153|1.975016|2.137390|2.292647|2.234796|2.442537|2.099171|3.229774|2.320512|3.693986|2.566642|0.067070|3.234408|4.557891|2.713327|2.428205|2.040782|1.891607|2.582868|0.049433|0.050540|2.185763|2.435586|4.052760|6.553835|5.686788|7.540276|13.703550|7.975601|6.893982|7.934111|13.749660|36.858105| |17.557318|8.842427|5.790473|4.266495|3.957088|4.625796|6.845778|3.697754|3.023091|3.833828|2.358668|3.816017|2.185065|0.059999|2.323522|2.733424|1.799198|1.868294|1.711078|1.516647|2.044813|0.038719|0.042674|1.586370|1.814661|1.929873|3.065876|2.135334|1.940169|2.073371|2.130703|2.207594|2.224208|2.160161|2.088120|0.500000| |17.545800|8.855798|5.976557|4.345640|3.967813|4.555097|6.603902|3.622860|3.028136|3.651615|2.262473|3.752422|2.044597|0.056009|2.108541|2.489884|1.672990|1.767592|1.644873|1.466147|1.989063|0.037768|0.041910|1.526909|1.733064|1.736900|2.784387|1.875549|1.704636|1.787846|1.810802|1.852986|1.872880|1.847962|1.806175|0.302283|0.500000| |17.587596|8.838731|7.215871|4.736783|3.944660|4.152945|5.576588|3.221511|3.020148|3.738935|2.304023|3.763213|2.114916|0.059161|2.179875|2.574383|1.727331|1.808240|1.690785|1.494700|1.996276|0.037827|0.041845|1.523401|1.733076|1.796884|2.877538|1.941202|1.758815|1.841830|1.899294|1.938610|1.916352|1.857700|1.823225|0.301641|0.301909|0.500000| |6.956835|8.914172|17.714625|8.928008|5.628620|4.928746|5.661783|3.542212|4.112676|4.866091|2.887756|4.676531|2.563590|0.073181|2.535392|2.921238|1.985559|2.129052|2.017764|1.742395|2.296181|0.043057|0.048540|1.727516|1.993914|1.976443|3.142941|2.078362|1.831371|1.858730|1.894432|1.871340|1.815519|1.783763|1.803966|0.148273|0.155435|0.219927|0.500000| |4.092303|5.651203|8.945353|17.691818|8.937311|5.638775|4.992582|4.075620|7.114929|7.577183|4.209638|6.743093|3.452495|0.099809|3.176861|3.525258|2.441792|2.743589|2.632266|2.189760|2.856980|0.052617|0.061296|2.120378|2.511294|2.278870|3.587065|2.311377|1.972014|1.932918|1.923825|1.841844|1.775499|1.781925|1.856045|0.098591|0.100824|0.112825|0.216684|0.500000| |7.062592|8.937772|5.678076|4.992611|5.651430|8.966237|17.692889|7.112156|4.081619|4.950214|2.952943|4.782996|2.613740|0.068945|2.785560|3.167771|2.067402|2.209157|1.978736|1.742083|2.400781|0.045053|0.050627|1.893771|2.213435|2.186805|3.419198|2.406795|2.126838|2.230903|2.188861|2.205789|2.268262|2.315774|2.296056|0.199122|0.185548|0.141410|0.124427|0.108162|0.500000| |3.378429|4.313508|3.965786|4.549584|6.556695|8.820628|5.974715|17.538578|6.231899|6.855872|4.196032|7.219304|3.334585|0.082651|3.337792|3.695256|2.480961|2.844543|2.518588|2.202746|3.159488|0.058319|0.068696|2.520269|3.035785|2.422625|3.776226|2.516838|2.156532|2.137146|2.001800|1.930217|1.973335|2.102145|2.195208|0.089658|0.092442|0.081130|0.090349|0.106750|0.156904|0.500000| |3.855133|4.780396|3.987511|4.185195|5.548562|8.859356|7.348902|17.597039|4.694534|5.852035|3.571856|5.837981|3.078807|0.077162|3.316787|3.700285|2.395863|2.621678|2.277273|2.006031|2.843376|0.052907|0.060326|2.306164|2.756440|2.509780|3.877890|2.732544|2.362614|2.418871|2.267594|2.222999|2.314732|2.476568|2.538120|0.107997|0.103983|0.089194|0.090707|0.096020|0.229231|0.302512|0.500000| |3.314082|4.243758|3.942784|4.578225|6.698715|8.793386|5.829334|17.552315|6.586621|8.953826|5.232613|8.135729|4.261230|0.101716|4.591916|4.765312|3.036000|3.449368|2.878741|2.455790|3.484830|0.063365|0.074228|2.875902|3.646067|3.077733|4.626688|3.270337|2.685281|2.642058|2.431955|2.301651|2.338850|2.523213|2.697427|0.091344|0.086432|0.080383|0.089860|0.107794|0.151551|0.302366|0.302149|0.500000| |3.038675|3.981545|4.781826|7.302560|8.893205|5.600756|4.213342|4.757430|17.593039|12.413890|6.833603|11.758621|4.579063|0.124665|3.806402|4.101815|2.925833|3.570754|3.440200|2.770949|3.687006|0.066285|0.081717|2.715668|3.330602|2.532110|3.965727|2.471980|2.066494|1.969019|1.897736|1.783170|1.735176|1.788182|1.903838|0.077056|0.078765|0.080086|0.113959|0.223892|0.096755|0.134178|0.104487|0.133360|0.500000| |3.008356|3.929239|4.210958|5.714360|8.813000|6.916971|4.645820|7.042525|17.641972|12.509758|7.098244|12.740661|4.594921|0.113868|4.028137|4.278340|2.984512|3.682324|3.347954|2.767625|3.873915|0.069463|0.086494|2.974011|3.734612|2.647361|4.109596|2.614200|2.176950|2.080905|1.963631|1.848100|1.831050|1.924043|2.055340|0.077913|0.079499|0.076372|0.097445|0.146610|0.109952|0.218088|0.140069|0.201112|0.304221|0.500000| |3.145927|4.082583|4.521090|5.993485|7.562933|5.938204|4.516676|5.267750|9.018681|26.061826|9.401997|10.870491|7.458500|0.195412|7.118307|6.336052|4.022839|4.676644|3.893755|3.004643|3.912104|0.069305|0.082189|3.082777|4.069909|3.736762|5.455882|3.753375|2.901423|2.725329|2.601124|2.371681|2.264389|2.343495|2.564286|0.084766|0.077901|0.081864|0.106426|0.157642|0.105955|0.126281|0.118521|0.173417|0.193735|0.183870|0.500000| |2.389350|2.833775|2.856045|3.288576|3.957453|3.913937|3.241093|4.335104|4.502789|8.778663|6.944127|9.260154|8.723753|0.175077|17.547024|12.283841|6.095514|6.464927|4.329963|3.483128|4.748704|0.083055|0.094773|4.254955|6.237315|6.501789|8.403480|6.274443|4.238986|3.666921|3.186697|2.757827|2.664855|2.924896|3.452370|0.067275|0.061094|0.061776|0.070329|0.086511|0.084643|0.106670|0.107729|0.158164|0.105497|0.120947|0.189988|0.500000| |2.508418|2.969416|3.090913|3.545087|3.990923|3.746573|3.227816|3.719898|4.337923|8.640173|6.228241|8.027915|8.713360|0.224927|17.587879|12.290517|5.966339|5.689916|4.183562|3.266727|4.148760|0.073591|0.082309|3.445167|4.591371|6.721111|8.552422|6.692588|4.379819|3.802206|3.512695|2.981625|2.747174|2.876974|3.345516|0.070678|0.062698|0.066193|0.077376|0.095389|0.082315|0.090630|0.093094|0.124706|0.105936|0.107415|0.222877|0.302468|0.500000| |1.652981|1.861563|1.922364|2.150870|2.366266|2.258554|1.999316|2.386093|2.700444|4.560690|4.074836|6.691872|5.713282|0.142688|5.834056|12.470688|17.634370|8.593009|6.181161|5.891006|7.189935|0.126271|0.121119|6.657020|7.123883|7.309021|13.789674|4.672477|3.807222|2.970327|2.615006|2.219385|2.095425|2.263201|2.687467|0.046181|0.043106|0.044158|0.049857|0.059948|0.052967|0.063551|0.061689|0.076361|0.071162|0.073822|0.092707|0.140540|0.129320|0.500000| |1.744729|1.976075|2.085570|2.354702|2.532708|2.345344|2.081225|2.384870|2.896464|5.014393|4.462218|7.012279|6.815812|0.201124|6.338803|12.336670|17.519472|8.738273|7.137764|5.688807|6.052244|0.105906|0.108311|4.759701|5.511158|6.612953|11.408045|4.491334|3.571873|2.861562|2.632624|2.234042|2.062164|2.164721|2.521500|0.048471|0.045046|0.047096|0.054530|0.066909|0.054247|0.062954|0.060936|0.075471|0.077839|0.076339|0.104544|0.135410|0.150868|0.303520|0.500000| |1.731566|1.984919|2.150088|2.499125|2.671787|2.374123|2.071671|2.380052|3.227657|5.416412|5.196520|9.059608|6.747844|0.214136|4.731471|6.708672|6.987190|8.788647|17.565814|8.994085|7.645472|0.127092|0.145123|4.882709|5.483361|3.790898|6.413369|3.046538|2.530310|2.176787|2.047166|1.812082|1.705095|1.776280|1.996132|0.047115|0.045068|0.046969|0.056447|0.073397|0.053155|0.064728|0.059452|0.073831|0.091536|0.085275|0.105108|0.109685|0.115587|0.157614|0.222147|0.500000| |1.810271|2.105803|2.281143|2.713975|2.995543|2.630626|2.234002|2.686315|3.847249|6.320191|6.703453|14.131997|7.016434|0.187516|4.567360|5.874937|5.478571|8.848401|17.596463|8.916012|9.465939|0.145510|0.210699|5.645112|6.679070|3.325933|5.486859|2.796012|2.323697|2.044215|1.907089|1.714904|1.642927|1.726747|1.923446|0.048802|0.047517|0.048633|0.059036|0.079502|0.057039|0.074955|0.065776|0.083593|0.110312|0.105379|0.113231|0.113735|0.108572|0.130414|0.145574|0.303458|0.500000| |1.477170|1.659243|1.745025|1.969174|2.128836|1.980066|1.753865|2.059301|2.489158|3.975855|3.632818|6.660701|4.411767|0.118782|3.717032|5.868008|6.375736|6.636495|8.712710|17.618113|12.436118|0.222224|0.181038|7.054610|5.747369|3.620152|6.669208|2.835560|2.468425|2.088599|1.919505|1.697586|1.618781|1.714876|1.944607|0.040597|0.038944|0.039826|0.045824|0.056305|0.046106|0.056682|0.052718|0.063766|0.068754|0.068865|0.077308|0.093212|0.088746|0.193716|0.176216|0.212739|0.172992|0.500000| |1.471866|1.660154|1.767426|2.015181|2.164791|1.977351|1.743264|2.035297|2.579102|3.988707|3.661161|7.167589|4.046706|0.111473|3.230209|4.658123|4.527266|5.441758|8.775169|17.626815|12.354268|0.224052|0.222089|5.588888|4.862757|2.874104|5.104810|2.382560|2.082082|1.817999|1.696195|1.526564|1.463445|1.538269|1.712306|0.040016|0.038991|0.039813|0.046582|0.058491|0.045480|0.056957|0.051590|0.062056|0.073377|0.071748|0.075602|0.082362|0.079086|0.124383|0.126971|0.212107|0.216285|0.301002|0.500000| |1.523398|1.712105|1.756337|1.968375|2.194115|2.113096|1.857496|2.296197|2.547246|4.075920|3.692765|6.730102|4.388999|0.105966|4.094848|6.618895|6.405462|6.596732|5.734526|7.044636|12.449073|0.222986|0.181136|17.633988|8.699542|4.177764|7.619528|3.258944|2.830986|2.363980|2.089541|1.841931|1.792231|1.954826|2.258602|0.042252|0.040353|0.040480|0.045436|0.054734|0.049590|0.063283|0.059408|0.072698|0.067599|0.072745|0.078854|0.111182|0.093050|0.229864|0.142244|0.129065|0.131833|0.215415|0.144759|0.500000| |1.555808|1.757831|1.791987|2.019165|2.293053|2.227420|1.933237|2.486519|2.701818|4.182777|3.785844|7.351372|4.037260|0.095107|3.690549|5.331066|4.564617|5.435765|4.876277|5.590552|12.358285|0.223998|0.222367|17.627043|8.787270|3.369618|5.845601|2.840977|2.477965|2.152177|1.909613|1.718133|1.700415|1.863480|2.115072|0.042923|0.041584|0.041031|0.045997|0.055735|0.051783|0.070333|0.064019|0.078611|0.071260|0.080098|0.078417|0.106459|0.084756|0.139850|0.104946|0.107590|0.126950|0.144754|0.126490|0.301383|0.500000| |1.911868|2.235609|2.312884|2.714978|3.216976|3.026650|2.498507|3.402319|4.107106|6.824597|7.177139|14.871948|6.954838|0.143567|5.492652|6.787148|5.527228|8.784092|6.641338|5.606556|9.403672|0.144950|0.208441|8.934627|17.628106|3.825788|6.077313|3.278289|2.673882|2.347461|2.104193|1.890982|1.857496|2.016852|2.281620|0.052248|0.050564|0.050062|0.058182|0.074842|0.065251|0.095949|0.083154|0.112570|0.105186|0.123596|0.119352|0.161644|0.118551|0.141826|0.123021|0.136725|0.191202|0.131566|0.125926|0.173193|0.218002|0.500000| |1.871269|2.155410|2.187141|2.494744|2.914796|2.848938|2.415225|3.226435|3.458771|5.901162|5.524659|9.339626|6.663341|0.137367|6.786087|9.600483|7.199740|8.753980|5.489511|4.890958|7.645395|0.127229|0.144625|9.023744|17.577435|5.339313|8.259453|4.322913|3.417375|2.872347|2.481292|2.177181|2.137108|2.369957|2.778266|0.052081|0.049180|0.048923|0.055195|0.067719|0.064220|0.087135|0.081818|0.108891|0.086811|0.100050|0.112627|0.210428|0.136417|0.197548|0.142584|0.123205|0.137184|0.129934|0.107605|0.214100|0.212243|0.303278|0.500000| |2.167911|2.430733|2.372122|2.547270|2.864886|2.977844|2.708836|3.218865|2.955261|4.971257|3.677637|5.523100|4.431475|0.109368|6.846906|9.654231|4.664470|4.014976|3.052863|2.687625|3.633973|0.066954|0.070469|3.211163|3.921455|8.909562|10.855978|17.529094|8.807750|6.922005|5.102454|4.018436|3.830187|4.442868|6.067987|0.063150|0.055426|0.056455|0.060012|0.066799|0.074040|0.079038|0.087607|0.106679|0.072614|0.079447|0.111906|0.212468|0.187972|0.121195|0.112081|0.081548|0.078153|0.076178|0.065147|0.091267|0.082889|0.098110|0.131941|0.500000| |2.202962|2.454392|2.450316|2.612836|2.821703|2.832220|2.630736|2.873555|2.869003|4.863336|3.531882|5.217048|4.399640|0.118333|6.568783|9.440536|4.638907|3.828309|3.029644|2.616185|3.378715|0.062382|0.065456|2.842587|3.409650|8.953961|11.075953|17.520372|8.820169|6.926286|6.090521|4.451857|3.830701|4.013144|5.092515|0.064143|0.055466|0.058472|0.063035|0.069653|0.070508|0.070626|0.077158|0.091932|0.072130|0.074418|0.114372|0.166068|0.218928|0.115032|0.121627|0.084766|0.076999|0.074711|0.064258|0.081283|0.071866|0.085694|0.106163|0.304799|0.500000| |1.738972|1.873160|1.858707|1.945362|2.066176|2.088417|1.982859|2.151080|2.110192|3.380250|2.538744|3.994456|3.054072|0.082831|3.885728|6.383693|3.747014|2.989607|2.502273|2.313959|3.013434|0.057420|0.057276|2.526376|2.786550|6.925154|12.603247|8.878057|17.594846|8.876633|7.111597|4.713395|3.968708|4.209783|5.665228|0.050663|0.044698|0.046588|0.048786|0.052488|0.054267|0.054661|0.059008|0.066707|0.054466|0.056257|0.075023|0.102734|0.111764|0.103951|0.101026|0.070175|0.062829|0.068511|0.057462|0.075512|0.064867|0.069096|0.086182|0.173646|0.211527|0.500000| |1.720797|1.861598|1.822931|1.916748|2.081587|2.143342|2.014457|2.283293|2.142334|3.413245|2.589277|4.123990|3.062191|0.079517|3.936998|6.442568|3.757996|3.073767|2.513902|2.361865|3.188713|0.060899|0.060513|2.772898|3.043346|6.899226|12.283089|8.870324|17.581442|8.880677|5.664120|4.209830|3.969582|4.715804|7.118997|0.050148|0.044658|0.045530|0.047322|0.051206|0.055797|0.058251|0.063261|0.071685|0.054639|0.058297|0.074256|0.111229|0.106810|0.108375|0.095309|0.068283|0.063415|0.069610|0.058072|0.083269|0.072584|0.075070|0.098273|0.210948|0.173664|0.305198|0.500000| |1.929600|2.029953|1.990824|2.018677|2.090140|2.137229|2.105173|2.132612|2.045850|3.193257|2.283095|3.574834|2.610516|0.072584|3.226008|4.642213|2.799248|2.414962|2.088010|1.901147|2.473829|0.047201|0.048177|2.011832|2.242349|4.172478|6.899299|5.576419|6.998725|8.907874|17.689770|8.933809|5.647785|4.960358|5.657362|0.057358|0.048968|0.052091|0.052788|0.053961|0.057992|0.053375|0.059383|0.064434|0.052843|0.053713|0.072570|0.086450|0.099821|0.074489|0.077255|0.059190|0.054096|0.054817|0.048310|0.058127|0.052397|0.057888|0.067696|0.130436|0.175900|0.213177|0.143773|0.500000| |2.000685|2.027058|1.935032|1.897034|1.940653|2.035053|2.082579|2.016055|1.840864|2.762427|1.928118|3.068496|2.096325|0.057931|2.489222|3.396441|2.123698|1.928643|1.703750|1.564530|2.068762|0.039772|0.040886|1.664402|1.838796|2.834601|4.704213|3.564041|4.088653|5.628250|8.924582|17.715201|8.913092|5.652715|4.962770|0.060958|0.050950|0.054017|0.051680|0.050033|0.058754|0.050392|0.057613|0.059168|0.047556|0.048629|0.062215|0.069131|0.076192|0.056775|0.058127|0.047872|0.045147|0.044461|0.040320|0.047332|0.044201|0.048712|0.055113|0.094260|0.107769|0.111900|0.097030|0.216021|0.500000| |2.002121|2.005761|1.859753|1.812043|1.888954|2.045307|2.113909|2.085990|1.779690|2.618344|1.822701|2.939832|1.931522|0.052105|2.278721|3.062362|1.927948|1.793321|1.578731|1.464437|1.980792|0.038239|0.039397|1.609279|1.769293|2.510078|4.156973|3.123809|3.538383|4.922803|5.642080|8.906421|17.720449|8.906745|5.642264|0.061782|0.051924|0.052929|0.049064|0.047084|0.061567|0.052207|0.061443|0.060659|0.045517|0.047929|0.057930|0.065845|0.067678|0.052190|0.051565|0.043557|0.042234|0.041326|0.037739|0.045434|0.043518|0.047420|0.053644|0.088785|0.088793|0.090372|0.090388|0.124197|0.214643|0.500000| 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