Version2.1 2021-01-11T07:20:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1cc2c(cc1OC)[C@H]([NH2+]CC2)c3c(nc(n(c3=O)c4cccc(c4)C(F)(F)F)O)O C09330782 RHF 6-31G(d) (6D,7F) COc1cc2c(cc1OC)[C@H]([NH2+]CC2)c3c(nc(n(c3=O)c4cccc(c4)C(F)(F)F)O)O C01[X(C22H21F3N3O5)] 156 C1 537 COc1cc2CC[NH2+][C@@H](c2cc1OC)c1c(O)nc(n(c1=O)c1cccc(c1)C(F)(F)F)O COc1cc2CC[NH2+][C@@H](c2cc1OC)c1c(O)nc(n(c1=O)c1cccc(c1)C(F)(F)F)O COc1cc2CC[NH2+][C@@H](c2cc1OC)C3=C(O)N=C(O)N(C3=O)c4cccc(c4)C(F)(F)F InChIKey=RCKCTAIGEUHILJ-SFHVURJKSA-O InChI=1S/C25H33N3O4S/c1-6-32-25(31)22-19-12-9-16(3)13-20(19)33-24(22)27-23(30)17(4)28(5)14-21(29)26-18-10-7-15(2)8-11-18/h7-8,10-11,16-17H,6,9,12-14H2,1-5H3,(H,26,29)(H,27,30)/p+1/t16-,17+/m0/s1 InChI=1/C22H20F3N3O5/c1-32-15-8-11-6-7-26-18(14(11)10-16(15)33-2)17-19(29)27-21(31)28(20(17)30)13-5-3-4-12(9-13)22(23,24)25/h3-5,8-10,18,26,29H,6-7H2,1-2H3,(H,27,31)/p+1/t18-/m0/s1/fC22H21F3N3O5/h26,31H/q+1 COc1cc2c(cc1OC)[C@H]([NH2+]CC2)c3c(nc(n(c3=O)c4cccc(c4)C(F)(F)F)O)O C01[X(C22H21F3N3O5)] 156 C01 537 COc1cc2CC[NH2+][C@@H](c2cc1OC)c1c(O)nc(n(c1=O)c1cccc(c1)C(F)(F)F)O CO[C]1[CH][C]2[C]([CH][C]1OC)[C@H]([NH2]CC2)[C]1[C]([N][C]([OH])N([C]1=O)[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F)O CO[C]1[CH][C]2CC[NH2][C@@H]([C]2[CH][C]1OC)[C]3[C](O)[N][C](O)N([C]4[CH][CH][CH][C]([CH]4)C(F)(F)F)C3=O InChIKey=KVZNVFNGJAXXTP-DLBZAZTESA-N InChI=1S/C22H21F3N3O5/c1-32-15-8-11-6-7-26-18(14(11)10-16(15)33-2)17-19(29)27-21(31)28(20(17)30)13-5-3-4-12(9-13)22(23,24)25/h3-5,8-10,18,29H,6-7,26H2,1-2H3,(H,27,31)/t18-/m0/s1 InChI=1/C22H21F3N3O5/c1-32-15-8-11-6-7-26-18(14(11)10-16(15)33-2)17-19(29)27-21(31)28(20(17)30)13-5-3-4-12(9-13)22(23,24)25/h3-5,8-10,18,29H,6-7,26H2,1-2H3,(H,27,31)/t18-/m0/s1/f/h31H 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1665.5929 1669.7537 1711.1982 1752.4685 1792.8550 1797.5645 1807.9182 1827.2311 1839.4961 1845.5854 1899.2773 3206.5634 3210.2594 3215.2007 3267.0791 3269.4609 3276.8718 3281.8472 3283.1293 3329.8875 3347.2716 3350.7432 3385.2221 3399.0570 3399.2411 3406.2696 3412.0798 3416.6099 3539.4924 3724.2518 4037.1141 4046.1214 17.8079 8.2387 6.7612 3.9834 6.8317 7.7604 4.1352 3.3244 3.8006 7.2431 7.5273 5.6223 6.5229 3.7644 3.8235 3.8136 3.5672 7.1824 1.7212 7.4193 4.5747 4.2007 1.5157 2.0343 2.3464 2.8387 4.7610 6.8347 7.0691 4.3080 6.6996 5.3319 4.5334 4.4703 6.0924 5.9874 5.0829 3.9799 3.2008 4.0687 5.5390 1.7013 2.3281 4.3766 1.8594 2.2437 8.1241 7.5414 4.5054 6.7762 6.6970 8.3565 5.2523 4.8453 2.4476 3.0354 6.7481 4.2530 11.8202 5.2953 7.3606 6.7593 3.6707 8.9893 1.5583 1.6843 1.4781 2.0411 2.1432 2.5949 3.3435 1.6590 1.4134 2.3250 6.2422 1.3607 3.9075 3.1039 4.2863 2.9462 3.1838 2.3751 2.1230 2.4886 3.1145 3.1063 3.2611 4.7501 1.2665 1.2672 1.3139 1.4174 1.4261 1.4398 1.7445 2.2653 2.3425 9.7771 2.4211 2.4167 6.9802 1.8354 2.3383 1.9235 1.3305 1.4280 3.7553 1.7359 1.6923 3.0162 1.4604 1.5744 2.0297 1.4889 3.5002 1.3607 2.0373 1.3995 1.3646 1.0498 1.0482 1.1026 1.0578 1.0577 4.0470 3.2774 3.2117 8.2957 8.0294 5.7778 5.4024 5.6861 2.1106 1.6529 10.1493 1.0358 1.0699 1.0347 1.0787 1.1073 1.0786 1.1081 1.0870 1.1123 1.1009 1.1019 1.0907 1.0940 1.0914 1.0937 1.0974 1.0904 1.0711 1.0827 1.0661 1.0661 0.0007 0.0008 0.0011 0.0015 0.0081 0.0134 0.0094 0.0116 0.0165 0.0447 0.0684 0.0627 0.0828 0.0597 0.0850 0.0877 0.0838 0.2159 0.0539 0.2740 0.1753 0.1718 0.0700 0.1098 0.1305 0.1891 0.3310 0.5200 0.5752 0.3626 0.6763 0.5572 0.5066 0.5469 0.7794 0.8060 0.7298 0.6033 0.4934 0.6445 1.0705 0.3325 0.4680 0.9344 0.4181 0.5079 1.8985 1.8129 1.2086 1.9439 1.9332 2.5404 1.6808 1.6166 0.8640 1.0940 2.4769 1.5861 4.5711 2.1089 3.0608 3.0606 1.7196 4.2942 0.7662 0.9077 0.8189 1.1583 1.2469 1.5684 2.0604 1.0560 0.9463 1.5655 4.4053 1.0256 2.9594 2.3870 3.4925 2.4368 2.6405 1.9998 1.8398 2.1843 2.7888 2.8373 3.0374 4.6259 1.2476 1.2504 1.3409 1.4602 1.4924 1.5069 1.8645 2.4553 2.5623 10.7396 2.7215 2.7486 7.9588 2.1185 2.7626 2.3066 1.6143 1.7811 4.8507 2.2577 2.2489 4.0853 2.0274 2.2801 2.9850 2.2557 5.3393 2.1342 3.1990 2.2056 2.1583 1.6865 1.6844 1.7741 1.7084 1.7101 6.6149 5.3838 5.5409 15.0109 15.2063 10.9997 10.4039 11.1854 4.2078 3.3172 21.5707 6.2747 6.4962 6.3020 6.7836 6.9736 6.8240 7.0319 6.9032 7.2669 7.2674 7.2894 7.3642 7.4470 7.4303 7.4766 7.5278 7.4996 7.9058 8.8481 10.2370 10.2830 0.0815 1.2669 1.2635 0.0580 1.5798 2.7501 0.1351 12.1672 1.5243 1.8440 1.5569 1.3186 0.7577 3.8396 0.0656 6.8767 2.1587 0.3654 1.1415 2.8908 2.9068 5.7434 1.8044 1.5789 3.8988 7.7376 3.9872 8.9683 1.6831 0.0660 5.6413 6.6018 8.3996 4.5216 15.2778 2.2651 25.9767 1.4498 0.5304 3.5994 8.5469 39.8036 31.1073 2.6147 122.7650 63.1408 9.0457 16.8805 0.8333 13.8814 4.4327 8.2738 5.0212 6.6325 16.7439 43.8364 28.9851 1.1518 2.1167 6.0510 2.1938 24.4631 7.7207 118.2981 19.3745 7.0758 18.8052 23.4206 8.1223 9.4268 12.7962 8.9207 1.5465 21.0477 5.5573 0.3327 45.9427 19.5285 45.3727 15.0828 20.0008 70.8113 57.8198 95.1696 5.7949 106.5437 59.9237 8.2296 2.9475 3.5051 54.9293 20.6163 5.9781 13.0875 25.6753 50.5107 137.2734 327.6680 108.9369 79.1837 190.2029 218.0366 69.4372 102.0653 66.1627 56.7496 365.8364 28.0824 62.8634 239.1800 111.1227 23.5368 16.4748 337.1345 173.1922 70.1931 103.4662 103.9540 19.9091 1.6125 9.8216 5.6996 37.5482 34.0851 89.9921 61.7816 403.2611 1504.1562 8.0484 2.1049 87.4826 3.8051 172.7914 223.0840 482.9525 47.0586 12.4219 39.7082 3.6392 51.6980 19.5880 46.3393 6.2218 9.6529 23.8921 26.7854 3.2051 3.3532 8.1518 1.4084 2.4101 6.8851 237.3767 68.8063 175.8723 381.4605 0.0131 1.4190 1.6083 2.9711 1.3376 3.2878 3.5757 0.3682 0.5280 0.1464 0.3217 0.9366 3.2753 0.1944 0.7406 1.9019 1.1829 0.1824 1.2356 1.0221 1.9407 0.7384 1.2895 0.7075 1.6980 0.6211 0.3365 1.4198 0.7741 5.8772 0.7194 0.5418 1.7992 1.9654 2.4401 2.6724 1.0938 0.3508 1.8831 0.3208 0.6410 1.0807 0.6623 3.9243 1.6495 2.3901 2.2461 0.7115 0.5474 17.0161 2.4278 3.7451 1.5149 2.4735 0.6966 2.5152 2.9026 0.6813 0.9375 14.7894 8.4529 7.2467 1.2208 1.6979 1.1706 3.4941 2.6205 1.8471 1.6480 1.4372 2.8728 0.7337 0.8427 1.2683 29.2390 0.0567 4.6932 10.4953 3.3016 4.5604 5.1833 4.3741 1.7179 5.3696 3.9675 5.9547 5.8597 4.3951 4.9774 2.8778 1.8554 1.1270 2.4867 4.5233 12.2410 7.4440 2.4157 1.9491 1.3499 7.2134 1.2197 3.4460 5.2149 5.1256 7.6265 3.0031 7.5311 7.1563 2.0661 49.9130 11.7996 2.7002 11.3304 9.4747 2.9226 10.8349 15.1486 11.0558 0.6748 20.5265 25.8085 8.1143 14.6065 9.5868 0.7635 0.4573 21.0913 21.3155 20.3537 18.4863 79.6229 16.4714 5.8308 4.6140 15.3392 69.4864 109.5095 111.6436 62.7000 36.5860 134.7373 42.9213 79.9672 83.8670 126.6665 141.0330 48.2895 52.8802 68.2360 41.2261 177.7484 45.7127 38.5800 65.4862 53.7518 121.0126 0.7387 0.7453 0.7439 0.7352 0.6848 0.7474 0.7468 0.7468 0.7500 0.1840 0.7425 0.7498 0.7492 0.6634 0.1865 0.7499 0.7093 0.3752 0.7482 0.2908 0.0880 0.7167 0.6468 0.6068 0.6914 0.4159 0.7483 0.3420 0.4558 0.1408 0.5419 0.3524 0.1827 0.5937 0.7173 0.7194 0.3165 0.7005 0.7123 0.4534 0.7256 0.4666 0.4724 0.1914 0.6315 0.7422 0.6301 0.4251 0.6196 0.0823 0.0768 0.6693 0.6958 0.6075 0.3159 0.1769 0.1154 0.3469 0.3961 0.1798 0.1838 0.0344 0.7268 0.7090 0.7486 0.2854 0.7278 0.4554 0.4855 0.5524 0.6719 0.7240 0.7435 0.6936 0.0980 0.7204 0.7468 0.7482 0.4417 0.1171 0.5239 0.3493 0.7468 0.4768 0.7104 0.0997 0.2020 0.1520 0.7499 0.7494 0.7079 0.6508 0.2221 0.7246 0.4064 0.5091 0.6387 0.5805 0.6664 0.0547 0.6459 0.7498 0.4166 0.5057 0.7497 0.2880 0.1467 0.3575 0.1696 0.1665 0.3738 0.3135 0.4069 0.7485 0.6913 0.6892 0.7487 0.5813 0.6260 0.7441 0.7463 0.5697 0.6056 0.5022 0.6601 0.7084 0.2066 0.3154 0.2893 0.5355 0.7456 0.6936 0.3219 0.2890 0.3852 0.0419 0.1350 0.0281 0.6134 0.7449 0.1783 0.7473 0.1143 0.6720 0.4636 0.4620 0.6735 0.5989 0.2708 0.3152 0.1479 0.2317 0.1637 0.3848 0.3380 0.2937 0.8497 0.8541 0.8532 0.8474 0.8129 0.8554 0.8551 0.8551 0.8571 0.3108 0.8522 0.8570 0.8566 0.7976 0.3144 0.8571 0.8300 0.5456 0.8560 0.4505 0.1617 0.8350 0.7855 0.7553 0.8175 0.5875 0.8560 0.5097 0.6262 0.2469 0.7029 0.5211 0.3090 0.7451 0.8354 0.8368 0.4808 0.8238 0.8320 0.6239 0.8410 0.6363 0.6417 0.3214 0.7741 0.8520 0.7731 0.5966 0.7651 0.1521 0.1427 0.8019 0.8206 0.7558 0.4801 0.3006 0.2070 0.5152 0.5674 0.3048 0.3105 0.0665 0.8418 0.8297 0.8562 0.4441 0.8425 0.6258 0.6536 0.7117 0.8038 0.8399 0.8529 0.8191 0.1784 0.8375 0.8551 0.8560 0.6127 0.2097 0.6876 0.5178 0.8551 0.6458 0.8307 0.1813 0.3361 0.2638 0.8571 0.8567 0.8290 0.7885 0.3634 0.8403 0.5779 0.6747 0.7795 0.7346 0.7998 0.1037 0.7849 0.8570 0.5882 0.6717 0.8570 0.4472 0.2559 0.5267 0.2900 0.2855 0.5442 0.4774 0.5784 0.8561 0.8175 0.8160 0.8563 0.7352 0.7700 0.8533 0.8547 0.7259 0.7544 0.6686 0.7953 0.8293 0.3425 0.4795 0.4488 0.6975 0.8542 0.8191 0.4870 0.4484 0.5562 0.0805 0.2378 0.0547 0.7604 0.8538 0.3027 0.8554 0.2052 0.8038 0.6335 0.6320 0.8049 0.7491 0.4262 0.4793 0.2576 0.3762 0.2813 0.5558 0.5052 0.4540 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 6 8 6 6 6 6 6 6 8 6 6 1 7 1 1 6 6 6 6 7 6 7 6 8 6 6 6 6 6 6 6 9 9 9 8 8 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 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 18.99840 15.99491 15.99491 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 8453.2726 28586.0734 29403.6028 0.99993 0.01193 0.00241 -0.01206 0.99778 0.06551 -0.00163 -0.06553 0.99785 1 0.01025 0.00303 0.00295 0.21350 0.06313 0.06138 11.87 18.74 23.74 35.96 64.48 77.77 89.25 110.60 123.42 147.32 178.74 197.92 211.19 236.03 279.46 284.17 287.29 324.97 331.66 360.19 366.95 379.09 402.72 435.45 442.02 483.75 494.22 517.04 534.68 543.78 595.54 605.94 626.63 655.61 670.41 687.72 710.26 729.81 735.95 746.00 824.03 828.66 840.43 866.09 888.89 891.77 906.12 919.03 970.85 1003.96 1007.08 1033.50 1060.35 1082.69 1113.64 1125.33 1135.62 1144.68 1165.65 1182.90 1208.73 1261.30 1282.94 1295.54 1314.40 1376.06 1395.16 1412.05 1429.72 1457.25 1471.43 1495.48 1533.75 1538.09 1574.66 1627.35 1631.25 1643.77 1691.98 1704.67 1707.02 1719.96 1744.94 1756.12 1773.69 1791.43 1809.00 1849.76 1860.41 1862.00 1893.54 1902.56 1917.50 1917.59 1937.85 1951.45 1960.42 1964.53 1987.33 1998.98 2001.51 2013.81 2037.41 2052.61 2064.64 2093.43 2130.33 2137.67 2160.79 2181.46 2208.53 2255.73 2273.12 2307.17 2315.06 2347.49 2348.78 2353.19 2357.36 2375.77 2376.13 2377.60 2382.10 2383.42 2396.42 2402.40 2462.03 2521.41 2579.52 2586.29 2601.19 2628.98 2646.62 2655.39 2732.64 4613.53 4618.85 4625.96 4700.60 4704.02 4714.69 4721.85 4723.69 4790.97 4815.98 4820.97 4870.58 4890.48 4890.75 4900.86 4909.22 4915.74 5092.54 5358.37 5808.51 5821.47 0.453581 0.480592 0.481536 0.391763 -1680.695164 -1680.668152 -1680.667208 -1680.756982 3.011035D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE COc1cc2c(cc1OC)[C@H]([NH2+]CC2)c3c(nc(n(c3=O)c4cccc(c4)C(F)(F)F)O)O C09330782 RHF 6-31G(d) (6D,10F) C1 464.143331 |X|Y|Z| 47.237384 51.258486 113.288685 64.974964 22 6 7 19 3 |36.858105| |13.566124|73.516695| |8.031963|25.420339|36.858105| |6.721261|14.096866|13.902436|36.858105| |4.494414|9.217434|7.862135|13.560741|36.858105| |3.786183|8.211703|6.816509|7.950373|13.880640|36.858105| |3.990114|9.454827|7.920071|6.923035|7.935029|13.540210|36.858105| |5.235138|14.548871|13.424788|7.926850|6.815132|7.870270|13.915245|36.858105| |4.800453|13.191970|8.176928|5.315510|4.614101|5.182616|7.926814|14.256511|73.516695| |3.552853|8.543119|5.237855|3.992077|3.784777|4.493103|6.722400|8.030212|24.180097|36.858105| |2.911575|5.997860|4.410774|4.981183|7.477617|12.483378|7.595166|5.031021|6.896039|3.696988|36.858105| |2.724939|5.584192|3.995559|4.384881|6.079711|8.879340|6.594103|4.585339|6.529266|3.592602|17.614290|0.500000| |2.709228|5.304447|3.757008|4.534919|6.803349|7.690687|5.045513|3.893020|5.520845|2.909356|12.615886|0.254496|53.358707| |2.376982|4.612942|3.164971|3.676963|5.044665|5.708071|4.198093|3.317164|4.883792|2.640622|9.234844|0.231158|25.724220|0.500000| |2.701669|5.252016|3.683631|4.437257|6.389947|6.884426|4.751828|3.769836|5.390131|2.827644|9.328439|0.183103|25.473551|0.325659|0.500000| |2.917524|5.527958|3.889508|5.044752|7.617299|6.694668|4.500028|3.747463|5.293764|2.704078|7.546713|0.187998|17.378715|0.255110|0.254865|36.858105| |3.691733|6.895401|5.031572|7.592294|12.587631|7.537725|4.999320|4.422141|6.005055|2.917694|6.331092|0.148997|10.652453|0.159389|0.204503|12.563093|36.858105| |2.563779|5.282496|3.705783|3.907493|5.105228|7.415446|6.290556|4.381389|6.450735|3.667516|12.613508|0.249563|10.631193|0.199597|0.211129|5.007366|4.466594|36.858105| |2.298221|4.743789|3.211752|3.236164|3.937772|5.387613|5.313460|3.893576|6.113611|3.709842|7.528728|0.201131|7.195150|0.147676|0.138889|3.862877|3.467437|13.958494|36.858105| |2.068237|4.224606|2.767384|2.741381|3.187453|4.062959|4.169055|3.302650|5.436463|3.380077|5.034417|0.133246|5.483938|0.114003|0.111512|3.105179|2.863985|7.958838|14.181576|53.358707| |2.041383|4.128067|2.681923|2.676111|3.082466|3.795211|3.822123|3.124104|5.140480|3.116249|4.520985|0.113102|5.256748|0.107796|0.113132|2.982559|2.809864|7.041392|8.460722|20.076529|36.858105| |2.197853|4.417050|2.907828|2.973271|3.487797|4.236532|4.057120|3.307173|5.270510|3.057240|5.019427|0.117008|6.100903|0.121375|0.140622|3.361936|3.213187|7.914885|7.101207|11.080849|14.138735|53.358707| |2.489029|5.032731|3.447766|3.662326|4.593536|5.841649|5.073977|3.897962|5.863165|3.274256|7.505356|0.155305|8.924735|0.166645|0.218278|4.448652|4.199978|13.282460|7.954026|9.291997|7.997535|18.454216|36.858105| |2.608198|5.158735|3.533438|3.922665|4.969780|5.707198|4.661747|3.767704|5.576972|2.991403|6.639519|0.136272|9.476294|0.166763|0.277494|4.881632|4.804427|8.147576|5.406482|6.488587|5.482667|11.457321|15.766843|73.516695| |2.062833|4.060232|2.602453|2.666999|3.022365|3.438751|3.302045|2.854758|4.636532|2.647550|3.815827|0.090843|4.985397|0.099086|0.117682|2.915882|2.862301|5.091285|4.612135|7.100402|7.814636|17.903872|7.756121|12.483816|36.858105| |2.146449|4.226359|2.661280|2.670180|2.913596|3.240991|3.224356|2.901383|4.805417|2.726074|3.358261|0.080421|4.324199|0.083760|0.100963|2.644082|2.703485|4.198271|3.835869|5.772451|5.754680|10.610054|5.828211|10.147367|13.796520|36.858105| |1.962657|3.779744|2.324149|2.342317|2.503179|2.686227|2.656690|2.464737|4.137143|2.326497|2.750684|0.067254|3.658198|0.071552|0.084782|2.315608|2.380037|3.257888|3.016762|4.479936|4.185866|6.989834|4.226161|7.767381|7.988830|13.763488|36.858105| |1.769260|3.361845|2.063119|2.112436|2.278569|2.419085|2.342789|2.162882|3.614215|2.031123|2.537644|0.062805|3.480247|0.069494|0.080592|2.213169|2.229954|2.971589|2.768028|4.105536|3.780005|6.173422|3.791646|7.052511|6.922426|7.941149|13.760567|36.858105| |1.723086|3.279723|2.037707|2.113333|2.332562|2.501837|2.375556|2.146105|3.544868|2.000411|2.723139|0.067514|3.803965|0.077641|0.088495|2.368415|2.319420|3.248833|3.026402|4.517888|4.226062|6.999832|4.205789|7.724573|7.998254|6.873124|7.939843|13.742943|36.858105| |1.842618|3.556990|2.252415|2.343724|2.652811|2.930104|2.753960|2.414706|3.936287|2.236293|3.307915|0.080860|4.571344|0.094059|0.107425|2.723679|2.615226|4.177884|3.854872|5.852629|5.857341|10.635605|5.772493|10.048832|13.808321|7.912804|6.864550|7.931515|13.765400|36.858105| |1.541201|2.898760|1.785477|1.862519|2.047839|2.165088|2.043384|1.860397|3.085357|1.739611|2.368306|0.059944|3.378083|0.070262|0.077186|2.149997|2.078010|2.737628|2.587875|3.814319|3.380839|5.251935|3.346294|6.157268|5.062409|4.453685|5.040682|7.602244|12.648580|7.620357|36.858105| |1.498167|2.786448|1.699472|1.776853|1.927862|1.999421|1.887649|1.745849|2.903276|1.621545|2.141733|0.054301|3.078531|0.063360|0.070279|2.008775|1.970840|2.405414|2.253902|3.256144|2.811669|4.357698|2.893398|5.465432|4.071617|3.865360|4.605673|6.861847|8.145632|5.362864|14.441145|97.533100| |1.531306|2.873408|1.782533|1.882887|2.100491|2.217059|2.054362|1.851290|3.040303|1.708820|2.480104|0.063073|3.632551|0.077152|0.082949|2.299657|2.172634|2.843421|2.668174|3.861937|3.345230|5.189071|3.430934|6.346945|4.645109|3.866899|4.042846|5.320164|8.141520|6.959388|14.395133|20.079006|97.533100| |1.424493|2.684941|1.642152|1.693689|1.847886|1.967066|1.885390|1.723741|2.894957|1.651872|2.149141|0.055261|3.008648|0.062949|0.067269|1.927144|1.856787|2.489355|2.428647|3.657650|3.207569|4.703122|2.942813|5.228943|4.330543|3.890607|4.348464|6.039464|8.145583|5.960038|14.411991|20.147442|20.143213|97.533100| |1.839458|3.676749|2.327305|2.300408|2.571187|3.040468|3.109778|2.665972|4.520265|2.761947|3.455597|0.088753|4.189602|0.086412|0.090185|2.489497|2.375416|4.756547|5.517103|11.559725|14.651582|11.598103|5.388526|7.528998|7.174831|5.687836|4.369049|4.005948|4.439265|5.842134|3.563755|6.572040|7.656361|7.964059|73.516695| |2.249834|4.649566|3.120713|3.109155|3.720477|5.008056|5.101709|3.805218|6.081744|3.767923|6.672995|0.217129|6.413772|0.133890|0.116795|3.695285|3.272373|8.203050|14.474505|11.513730|5.561165|6.487137|5.275730|7.284639|3.499344|3.048637|2.503802|2.324587|2.510844|3.060919|2.213695|4.410377|5.156924|4.738039|7.534579|73.516695| |17.569443|16.432896|7.043439|6.707454|4.555050|3.730968|3.793284|4.741469|7.535676|3.248629|2.902239|0.076698|3.729827|0.066955|0.074676|3.047785|3.866335|2.497560|2.239885|2.719224|1.954195|2.851253|2.388849|4.447966|1.954213|2.001528|1.832381|1.672318|1.645925|1.764543|1.485207|3.246210|3.348285|3.090975|3.122564|3.950199|0.500000| |17.569393|16.432674|7.052655|6.714344|4.559465|3.740494|3.798660|4.742135|7.522976|3.234698|2.904236|0.074056|3.767823|0.067111|0.078278|2.981148|3.865140|2.578577|2.277539|2.805258|2.065082|3.076271|2.567268|4.892673|2.152374|2.257789|2.079970|1.872334|1.812389|1.925503|1.616997|3.558857|3.606482|3.338013|3.312478|3.894660|0.298364|0.500000| |17.670328|17.007427|5.906190|4.908224|3.608071|3.183761|3.422480|4.414644|7.806683|3.358743|2.537718|0.066717|3.213334|0.058473|0.065482|2.507132|3.054021|2.287493|2.090236|2.598787|1.886852|2.735692|2.230325|4.115005|1.902849|1.994367|1.842310|1.662281|1.609487|1.707117|1.445935|3.173278|3.217207|3.026596|3.060986|3.654755|0.299949|0.299879|0.500000| |7.494932|12.623305|8.985730|17.756243|8.920590|5.673902|4.981096|5.633087|7.615319|3.331401|4.070746|0.101853|5.411637|0.091783|0.109515|4.645384|7.142376|3.291927|2.773363|3.266406|2.366734|3.578557|3.168723|6.152700|2.419726|2.434739|2.185527|1.993626|1.987426|2.168451|1.772651|3.848733|4.037775|3.622521|3.679134|4.753066|0.224818|0.224481|0.146353|0.500000| |3.332997|7.629499|5.637824|4.982959|5.662039|8.885977|17.780340|9.014851|12.667034|7.521038|7.144005|0.183835|6.290281|0.112311|0.120658|3.939413|4.081306|6.921179|6.553915|6.854224|4.380017|5.981673|5.249403|7.950300|3.446501|3.321911|2.696227|2.373217|2.421079|2.842050|2.075752|4.265573|4.682796|4.356639|6.225810|11.411042|0.088195|0.088256|0.082322|0.108087|0.500000| |3.227615|7.501393|4.717284|3.776349|3.714870|4.541276|6.699514|7.014333|16.440109|17.552921|3.862814|0.101626|4.098798|0.076134|0.082679|2.711875|2.896011|4.072471|4.179093|5.325716|3.646977|4.822846|3.704014|5.873296|3.033073|3.156319|2.632862|2.259274|2.215485|2.499312|1.897847|3.949921|4.162418|4.055864|5.719127|7.219443|0.081610|0.084487|0.084339|0.087721|0.226340|0.500000| |3.253440|7.564670|4.765784|3.816888|3.751719|4.567142|6.719741|7.072576|16.444634|17.560635|3.882617|0.109381|4.077404|0.076328|0.078976|2.783634|2.923048|3.784204|3.952040|4.778934|3.115156|4.073011|3.230382|5.170250|2.544559|2.550904|2.178875|1.932886|1.932539|2.176858|1.696155|3.540631|3.785419|3.636491|4.863191|7.563315|0.085565|0.081932|0.084877|0.088629|0.224330|0.298398|0.500000| |3.357587|7.809816|4.415097|3.422893|3.182285|3.606857|4.907812|5.901713|17.020112|17.666898|3.057452|0.083178|3.403282|0.063814|0.067918|2.358109|2.541607|3.052077|3.113857|3.982934|2.736714|3.636073|2.796285|4.604930|2.375182|2.475107|2.157250|1.890344|1.846682|2.033255|1.618684|3.417018|3.560175|3.482255|4.438196|5.638552|0.084835|0.084388|0.091474|0.082252|0.146710|0.300052|0.299881|0.500000| |2.850372|5.432142|3.789023|4.744027|6.727883|6.276140|4.440538|3.708080|5.295303|2.728862|7.065756|0.206469|12.424599|0.217321|0.180142|17.617386|8.787896|4.635771|3.786934|4.103158|2.812286|4.157922|3.900775|7.178959|2.626991|2.393341|2.102287|2.008817|2.143882|2.455371|1.961803|4.119070|4.707900|4.016110|4.199957|6.812066|0.084137|0.078856|0.068506|0.120712|0.109613|0.074742|0.079812|0.066157|0.500000| |2.605835|4.813934|3.256606|4.102647|5.523401|4.906826|3.606011|3.112657|4.549834|2.350094|5.561543|0.142968|12.401217|0.227359|0.216786|17.623325|8.768674|4.205692|3.364447|3.816588|2.738268|4.206347|3.944933|7.859792|2.761362|2.493495|2.226941|2.169564|2.341872|2.658646|2.166355|4.586767|5.290089|4.347402|4.141201|5.697806|0.075691|0.074773|0.063090|0.110239|0.090209|0.065743|0.066840|0.057886|0.300310|0.500000| |3.531063|6.443665|4.523824|6.474680|8.855193|6.109722|4.374972|3.967783|5.544201|2.710827|5.387670|0.123788|9.374342|0.145890|0.211008|8.896640|17.520397|4.207553|3.254872|3.767755|2.799207|4.479805|4.280191|9.337284|3.028222|2.883114|2.565713|2.411443|2.497172|2.786453|2.229274|4.801037|5.236793|4.417467|4.245574|5.302387|0.100025|0.106953|0.081952|0.179775|0.101730|0.076021|0.074029|0.066339|0.173496|0.217883|0.500000| |3.830675|6.820055|4.746196|7.114130|8.876403|5.717695|4.243698|3.992128|5.587636|2.698060|4.849063|0.123259|7.702118|0.127406|0.146365|8.976983|17.581039|3.611173|2.953747|3.388966|2.431011|3.699602|3.392586|6.722286|2.464767|2.357342|2.115324|1.995142|2.061286|2.282946|1.874079|4.039258|4.401732|3.798944|3.727805|5.093962|0.116647|0.110577|0.087670|0.213672|0.097834|0.073008|0.075360|0.066402|0.216660|0.207846|0.303818|0.500000| |2.346244|4.706170|2.966710|2.901028|3.112996|3.509545|3.630920|3.301130|5.524282|3.146097|3.497186|0.083421|4.330125|0.082297|0.099554|2.670228|2.787311|4.340006|3.981139|5.903516|5.638802|9.766705|5.764487|9.756109|8.927691|17.732395|8.897462|5.642753|4.953311|5.640633|3.559672|7.170988|7.178287|7.214246|9.563350|5.654130|0.060013|0.068330|0.060574|0.072473|0.104457|0.103852|0.079996|0.078866|0.067624|0.068731|0.081654|0.067505|0.500000| |1.971070|3.777369|2.283182|2.272352|2.372349|2.511881|2.524856|2.402038|4.093928|2.292337|2.505460|0.061758|3.310661|0.064302|0.075789|2.142761|2.238549|2.888076|2.694097|3.953293|3.550841|5.668564|3.594012|6.630401|5.670823|8.931018|17.743616|8.925633|5.649132|4.949665|4.106843|8.944644|7.575225|8.279575|6.589931|4.063918|0.050708|0.058237|0.051836|0.059308|0.070719|0.071824|0.058965|0.059785|0.054379|0.057155|0.066953|0.055894|0.214561|0.500000| |1.658419|3.117660|1.889118|1.932177|2.057457|2.152729|2.090810|1.959102|3.299681|1.848574|2.234324|0.055926|3.084317|0.061706|0.070645|2.003688|2.028247|2.551142|2.394556|3.516703|3.127345|4.916865|3.139098|5.871884|4.979960|5.650724|8.925114|17.747051|8.920130|5.647318|7.048556|17.120884|10.939117|13.294883|5.911996|3.654029|0.043591|0.048838|0.043566|0.051205|0.058526|0.056551|0.048864|0.048266|0.050790|0.054976|0.060957|0.051045|0.124109|0.215269|0.500000| 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