Version2.1 2021-01-15T04:55:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3 C29150503 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3 C01[X(C25H34Cl1N2O5)] 195 C1 567 CCOc1cc(ccc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc1cc2OCCCOc2cc1Cl CCOc1cc(ccc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc1cc2OCCCOc2cc1Cl CCOc1ccc(cc1OCC)[C@@H]([NH2+]CC(=O)Nc2cc3OCCCOc3cc2Cl)C(C)C InChIKey=ITVGZOWHAOBINY-VWLOTQADSA-O InChI=1S/C25H33ClN2O5/c1-5-30-20-9-8-17(12-21(20)31-6-2)25(16(3)4)27-15-24(29)28-19-14-23-22(13-18(19)26)32-10-7-11-33-23/h8-9,12-14,16,25,27H,5-7,10-11,15H2,1-4H3,(H,28,29)/p+1/t25-/m0/s1 InChI=1/C25H33ClN2O5/c1-5-30-20-9-8-17(12-21(20)31-6-2)25(16(3)4)27-15-24(29)28-19-14-23-22(13-18(19)26)32-10-7-11-33-23/h8-9,12-14,16,25,27H,5-7,10-11,15H2,1-4H3,(H,28,29)/p+1/t25-/m0/s1/fC25H34ClN2O5/h27-28H/q+1 CCOc1ccc(cc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3 C01[X(C25H34Cl1N2O5)] 195 C01 567 CCOc1cc(ccc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc1cc2OCCCOc2cc1Cl CCO[C]1[CH][C]([CH][CH][C]1OCC)[C@H](C(C)C)[NH2]C[C]([NH][C]1[CH][C]2[C]([CH][C]1Cl)OCCCO2)=O CCO[C]1[CH][CH][C]([CH][C]1OCC)[C@@H]([NH2]CC(=O)N[C]2[CH][C]3OCCCO[C]3[CH][C]2Cl)C(C)C InChIKey=KCIKMXPHKQBELT-VWLOTQADSA-N InChI=1S/C25H34ClN2O5/c1-5-30-20-9-8-17(12-21(20)31-6-2)25(16(3)4)27-15-24(29)28-19-14-23-22(13-18(19)26)32-10-7-11-33-23/h8-9,12-14,16,25H,5-7,10-11,15,27H2,1-4H3,(H,28,29)/t25-/m0/s1 InChI=1/C25H34ClN2O5/c1-5-30-20-9-8-17(12-21(20)31-6-2)25(16(3)4)27-15-24(29)28-19-14-23-22(13-18(19)26)32-10-7-11-33-23/h8-9,12-14,16,25H,5-7,10-11,15,27H2,1-4H3,(H,28,29)/t25-/m0/s1/f/h28H 3491.6495376620 -1908.9818752 1-A 27753.3090 127 440 567 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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| 5.4580 11.4103 15.0982 25.0801 40.0487 44.0298 57.5809 59.8905 66.9367 73.6579 83.3819 93.1004 99.2599 109.3038 114.8462 116.2493 122.6583 152.1427 165.3078 192.1906 200.7005 204.6630 225.8688 234.3136 240.7006 254.2256 256.7970 272.2349 277.4925 291.5589 296.5161 324.6885 329.1367 340.3460 349.5566 360.0519 373.5748 395.0151 411.3871 422.2120 426.4064 433.6123 443.8806 479.8424 506.4233 521.7339 526.6782 541.8516 571.7597 584.5688 606.8193 611.2807 646.1789 648.4451 661.2921 675.4918 712.0646 718.0167 746.4995 777.1438 795.8065 806.0232 813.0347 817.0230 867.0990 872.5197 899.8139 903.4416 912.1352 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3223.9684 3224.1650 3241.7511 3252.9374 3256.0010 3272.0580 3272.8628 3282.7068 3284.7355 3293.2629 3293.6055 3297.4222 3305.9367 3307.2360 3312.3975 3312.6739 3316.0682 3347.8060 3353.4414 3393.6872 3418.1359 3418.8207 3442.0925 3645.6011 3722.8696 3853.6582 7.2602 4.6553 4.7583 4.4224 4.4653 7.8362 2.7339 5.0025 3.5986 3.6367 5.1224 3.7529 3.1150 2.0785 2.0465 2.5523 3.4099 4.4831 2.6495 3.3683 3.9322 4.7065 4.5996 1.7470 1.4759 1.6753 4.3631 1.2615 1.2210 3.5737 3.8975 3.7042 3.4295 5.7096 4.7779 4.1417 2.3422 3.6617 3.5668 4.8462 4.3190 5.5830 2.8389 3.6994 3.2580 3.5232 3.1791 2.8648 3.0153 1.9791 2.4796 4.3171 2.8704 3.4789 5.3921 2.9831 4.3508 5.7103 6.2079 3.1609 4.9728 5.0211 4.2838 4.4350 3.8979 3.9583 1.1631 1.1203 1.9266 3.0364 1.4986 2.5005 1.8591 1.5064 1.4683 2.1709 1.4870 1.9947 1.8561 2.0737 1.5203 2.0215 1.3763 1.7886 2.0948 4.2720 2.6431 3.2642 2.5210 3.4566 2.8435 3.1582 3.5819 2.8512 2.0082 8.2819 1.9836 2.5265 2.2622 1.7835 2.0441 1.7136 1.7461 2.2119 1.5124 1.5176 2.0315 2.9003 2.1062 1.2309 1.3735 1.6277 3.0684 1.7158 1.3472 1.1000 1.0979 1.2730 1.5528 1.4140 2.5574 2.7361 1.4771 1.4856 1.6575 1.4101 1.2407 1.2363 1.6284 1.3928 1.2578 1.3496 2.2683 1.2701 1.3206 1.3518 1.4376 2.4519 1.1088 1.0399 1.0400 1.0536 1.1030 1.0570 1.0493 1.0591 1.0663 1.1336 1.2960 1.0528 1.1739 1.1369 2.1700 2.8077 3.3669 5.5680 5.2042 3.6681 6.3640 1.0745 8.9279 1.0420 1.0563 1.0831 1.0708 1.0554 1.0686 1.0448 1.0688 1.0375 1.0378 1.1087 1.1100 1.1024 1.0998 1.0869 1.0659 1.0969 1.1029 1.1029 1.0979 1.1056 1.1055 1.0975 1.1032 1.0990 1.0911 1.1071 1.0910 1.0941 1.0930 1.0934 1.0596 1.0900 1.0786 0.0001 0.0004 0.0006 0.0016 0.0042 0.0090 0.0053 0.0106 0.0095 0.0116 0.0210 0.0192 0.0181 0.0146 0.0159 0.0203 0.0302 0.0611 0.0427 0.0733 0.0933 0.1162 0.1383 0.0565 0.0504 0.0638 0.1695 0.0551 0.0554 0.1790 0.2019 0.2301 0.2189 0.3897 0.3440 0.3163 0.1926 0.3366 0.3557 0.5090 0.4627 0.6185 0.3296 0.5018 0.4923 0.5650 0.5196 0.4956 0.5808 0.3985 0.5380 0.9504 0.7061 0.8619 1.3893 0.8020 1.2998 1.7345 2.0382 1.1248 1.8555 1.9220 1.6684 1.7443 1.7267 1.7755 0.5549 0.5387 0.9444 1.5389 0.7729 1.3442 1.0120 0.8491 0.8413 1.2881 0.8878 1.2058 1.1357 1.2743 0.9384 1.2761 0.8958 1.1684 1.3699 2.8414 1.8436 2.3859 1.8803 2.7058 2.2304 2.5354 2.9837 2.3907 1.7605 7.3270 1.7837 2.2936 2.0919 1.6806 1.9544 1.6762 1.7300 2.1965 1.5028 1.5099 2.0660 2.9804 2.2248 1.3434 1.5185 1.8493 3.5567 2.0363 1.6198 1.3301 1.3301 1.5589 1.9152 1.7974 3.2858 3.5252 1.9174 1.9754 2.2600 1.9599 1.7477 1.7449 2.3167 1.9939 1.8115 1.9552 3.3350 1.8800 1.9555 2.0026 2.1651 3.7266 1.6967 1.6223 1.6234 1.6453 1.7273 1.6800 1.6678 1.6858 1.7100 1.8243 2.0952 1.7256 1.9387 1.8830 3.5987 4.8402 5.9349 10.4128 9.8599 6.9597 12.2895 2.1237 19.9911 6.2847 6.3712 6.5702 6.4999 6.4073 6.4959 6.3641 6.5296 6.3533 6.3565 6.8646 6.9200 6.8860 6.9377 6.8597 6.7677 6.9728 7.0478 7.0492 7.0331 7.1195 7.1243 7.0948 7.1329 7.1202 7.2051 7.3351 7.4034 7.5317 7.5269 7.6324 8.2970 8.9008 9.4372 0.7889 0.5305 0.4324 0.8267 1.0981 4.8680 1.2006 5.9134 3.4382 5.9187 2.7539 1.0906 0.4627 1.0081 2.5408 1.4080 1.3985 2.2168 2.9550 0.8544 12.2485 1.1508 2.0112 0.7061 1.4273 0.3362 3.1572 1.0186 0.0700 1.0558 4.5738 5.2406 3.0050 1.6196 12.4086 3.6588 2.9759 6.2590 2.6147 4.3201 5.7187 4.8350 5.6824 3.6391 5.5589 13.7757 11.7768 35.7135 8.1577 60.1695 3.3347 5.7042 22.2704 4.3137 2.6833 6.2088 15.2136 24.9207 5.0986 6.5693 0.6462 1.6230 10.7526 10.3484 2.2331 13.1496 7.6075 1.8293 3.9550 20.0223 33.6538 53.5685 8.7898 40.6897 0.9108 18.5419 2.8786 8.8550 12.2969 4.6932 48.5956 4.4175 10.0884 10.2145 19.2245 25.4773 10.9390 18.6611 2.6714 83.3355 52.2334 18.4352 89.0852 138.5166 9.1462 6.4037 1.1007 24.3532 26.1141 105.3336 18.5149 66.2169 21.6602 75.5745 4.7923 9.1435 40.8151 20.8035 70.7863 7.9164 71.1700 242.7200 338.8838 182.4045 21.9656 1.3038 2.5760 4.6176 35.3940 37.4201 355.3201 262.5104 122.6815 35.1739 33.5201 8.1327 12.2394 19.9569 36.9722 19.1992 5.8990 67.5923 159.9675 16.8602 70.3985 64.4258 120.6569 71.0018 13.5531 0.7099 9.3805 2.8896 34.7630 2.3509 9.3440 5.5235 16.6210 10.1231 53.8573 20.4279 55.0216 14.8809 122.6202 353.0201 592.2595 72.3859 36.0723 172.1910 1.3528 57.6866 306.4335 21.9974 42.3509 2.2760 19.8694 29.2505 28.6230 16.5731 52.9936 19.2358 23.5835 39.6788 32.5506 36.2872 33.6506 11.8661 1.4775 18.2666 52.7950 4.0755 23.3363 32.0063 38.2654 34.0863 27.7558 47.3575 17.4452 0.5161 7.4320 0.5990 5.3290 0.3629 119.4596 67.3230 59.9136 1.8304 1.6673 2.2720 1.1279 0.5484 1.0790 0.0353 0.5059 1.8907 0.8056 0.7290 0.7676 0.8846 0.2826 0.1693 0.0417 2.0800 0.6802 0.3129 1.0713 1.5461 1.0653 1.2074 1.2089 0.3533 0.3604 1.4232 0.3224 0.0532 1.5057 2.0644 4.0933 1.2205 1.6174 1.7571 1.5736 0.6993 0.9516 1.3035 6.4803 1.0151 1.6368 1.3781 0.9133 3.3697 1.7827 0.3923 0.5055 4.3436 2.6840 0.7737 1.8402 2.5888 2.5986 2.0220 2.1324 1.4464 0.4188 2.1347 2.3577 5.3480 22.3379 1.4717 6.1573 9.0134 11.9175 1.2390 0.7100 9.2595 1.1839 3.8852 3.7136 3.2800 4.6303 2.6085 7.5419 1.1407 4.8632 1.0096 3.9762 3.5374 9.4508 2.5889 2.2369 7.5840 19.2728 5.5724 2.8817 1.2986 3.0804 2.9473 15.1679 8.9625 8.0276 10.8890 8.6319 1.1838 19.7957 6.7657 7.0194 0.9753 5.4433 7.7936 14.3656 1.5833 1.1235 9.2737 4.7280 11.9484 2.4513 2.9699 2.3984 0.9466 4.6142 7.9794 12.9022 13.1707 16.7392 0.3988 7.5992 51.9288 41.8772 10.6727 9.0510 4.9477 8.8630 0.3871 1.0761 3.0087 7.4820 3.7404 2.3807 16.6323 5.4574 2.5472 6.5638 7.3689 9.4477 15.7289 23.1486 21.1986 10.3502 11.6117 23.6481 18.6726 8.6898 15.0675 11.4054 7.5261 10.1981 10.5683 9.7113 1.5796 16.7659 3.0923 38.8646 98.0136 39.6428 104.2487 4.2463 29.0163 50.3937 59.4147 82.6287 18.8824 44.9792 50.2890 75.5947 211.7959 17.1271 279.3767 52.7006 58.1794 42.0727 78.4438 19.8176 63.2470 34.1777 49.9716 120.7229 143.6425 33.6561 47.5369 119.4796 67.5045 161.6611 53.3484 22.5123 39.4007 69.6776 90.9855 48.3475 56.2080 15.2863 45.7758 0.7470 0.7290 0.7480 0.7045 0.6783 0.5368 0.5742 0.5393 0.7180 0.7497 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0.2446 0.2027 0.7475 0.4847 0.3196 0.5843 0.6085 0.3052 0.0272 0.1564 0.2392 0.6294 0.2047 0.7418 0.0196 0.0848 0.0841 0.0108 0.7276 0.7463 0.7103 0.7042 0.1773 0.0116 0.6751 0.7471 0.7274 0.4645 0.7485 0.7473 0.5685 0.7427 0.2370 0.3216 0.6391 0.2380 0.2850 0.2334 0.2632 0.0684 0.7476 0.1282 0.8552 0.8433 0.8559 0.8266 0.8083 0.6986 0.7295 0.7007 0.8359 0.8569 0.8109 0.7142 0.6418 0.7517 0.7884 0.8408 0.5421 0.8387 0.8540 0.8284 0.7587 0.8080 0.5467 0.4534 0.6360 0.8360 0.6110 0.5939 0.5401 0.6105 0.4443 0.5073 0.4346 0.8392 0.5610 0.3879 0.1400 0.8546 0.8129 0.2118 0.8042 0.8139 0.4901 0.8350 0.4994 0.8507 0.7175 0.7761 0.4550 0.8039 0.8534 0.4379 0.6984 0.7771 0.7437 0.5966 0.7398 0.2295 0.7527 0.8473 0.3167 0.1730 0.6721 0.2518 0.2721 0.4092 0.5300 0.4225 0.2348 0.7447 0.3244 0.8200 0.3691 0.8086 0.8436 0.5053 0.6283 0.8571 0.6174 0.8211 0.6672 0.7563 0.8335 0.7315 0.8353 0.2989 0.7685 0.4238 0.5702 0.6726 0.8520 0.7015 0.8176 0.7328 0.5330 0.6926 0.6823 0.1454 0.7063 0.7318 0.6167 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12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 15.99491 12.00000 12.00000 12.00000 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 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 9778.6991 42729.2059 47350.0042 0.99999 0.00448 0.00240 -0.00447 0.99997 -0.00700 -0.00243 0.00699 0.99997 1 0.00886 0.00203 0.00183 0.18456 0.04224 0.03811 7.85 16.42 21.72 36.08 57.62 63.35 82.85 86.17 96.31 105.98 119.97 133.95 142.81 157.26 165.24 167.26 176.48 218.90 237.84 276.52 288.76 294.46 324.97 337.12 346.31 365.77 369.47 391.69 399.25 419.49 426.62 467.15 473.55 489.68 502.93 518.03 537.49 568.34 591.89 607.47 613.50 623.87 638.65 690.39 728.63 750.66 757.77 779.60 822.63 841.06 873.08 879.50 929.71 932.97 951.45 971.88 1024.50 1033.07 1074.05 1118.14 1144.99 1159.69 1169.78 1175.51 1247.56 1255.36 1294.63 1299.85 1312.36 1334.41 1346.10 1374.33 1382.94 1407.27 1418.86 1443.85 1448.37 1457.38 1466.21 1469.38 1472.61 1489.27 1512.25 1514.99 1515.78 1528.69 1565.46 1602.53 1618.81 1658.43 1660.08 1679.45 1710.77 1716.37 1755.03 1763.06 1777.46 1785.94 1802.49 1819.51 1832.85 1853.83 1865.76 1867.91 1868.42 1869.67 1890.28 1900.16 1926.49 1958.18 1970.85 1997.94 2018.07 2041.98 2055.39 2061.16 2063.17 2074.27 2081.67 2113.32 2124.67 2127.62 2135.62 2161.50 2188.76 2209.87 2224.71 2226.85 2235.75 2242.72 2249.49 2256.05 2272.80 2280.51 2280.93 2281.45 2300.31 2310.87 2318.74 2341.22 2341.91 2342.34 2345.60 2363.10 2363.13 2364.83 2373.70 2377.86 2383.28 2399.70 2408.86 2412.28 2413.86 2461.07 2488.62 2563.31 2580.05 2581.91 2604.78 2635.19 2804.87 4603.32 4603.58 4616.73 4618.19 4618.53 4621.46 4626.17 4632.97 4638.57 4638.85 4664.16 4680.25 4684.66 4707.76 4708.92 4723.08 4726.00 4738.27 4738.76 4744.26 4756.51 4758.37 4765.80 4766.20 4771.08 4816.75 4824.85 4882.76 4917.94 4918.92 4952.40 5245.21 5356.38 5544.55 0.611176 0.643169 0.644113 0.541958 -1908.370699 -1908.338706 -1908.337762 -1908.439917 3.426295D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE CCOc1ccc(cc1OCC)[C@H](C(C)C)[NH2+]CC(=O)Nc2cc3c(cc2Cl)OCCCO3 C29150503 RHF 6-31G(d) (6D,10F) C1 477.215625 |X|Y|Z| 64.656465 40.761854 148.024654 73.069025 22 6 7 8 18 2 2 |36.858105| |12.584205|36.858105| |8.068979|13.471140|73.516695| |5.246335|7.984855|25.457710|36.858105| |4.399191|6.681939|14.076997|13.822695|36.858105| |3.332981|4.487434|9.248615|7.897223|13.652381|36.858105| |2.972265|3.771142|8.206784|6.805670|7.921147|13.850105|36.858105| |3.202822|3.973226|9.440081|7.898639|6.895920|7.958602|13.581947|36.858105| |4.087723|5.220726|14.568306|13.447583|7.905964|6.844216|7.864973|13.831918|36.858105| |4.155044|4.791541|13.198636|8.187553|5.307850|4.630330|5.186867|7.918900|14.286033|73.516695| |3.237902|3.543751|8.528156|5.221761|3.974100|3.780825|4.477909|6.676983|7.977645|24.003436|36.858105| |3.168858|3.238520|7.395644|4.089404|3.203814|2.978663|3.327311|4.396908|5.242743|14.353079|12.581763|36.858105| |2.405383|2.910891|6.005801|4.417456|5.005438|7.547813|12.586225|7.567789|5.019640|6.879445|3.666873|2.839531|36.858105| |2.267072|2.676143|5.589704|3.988943|4.193384|5.601937|8.910009|7.399789|4.821950|6.956517|3.935759|3.006723|17.596215|0.500000| |2.198376|2.628357|5.216173|3.670435|4.249999|6.022342|7.353559|5.176443|3.925991|5.641158|3.025448|2.446622|12.343583|0.246106|36.858105| |2.228826|2.633496|5.272897|3.648237|4.013692|5.168406|6.224592|5.079662|3.982859|5.866848|3.196075|2.588891|7.593690|0.192600|12.420257|36.858105| |1.872755|2.177958|4.246478|2.861194|3.204518|4.158571|4.833264|3.846399|3.060352|4.628577|2.560536|2.132953|7.432526|0.190243|12.400261|7.573935|36.858105| |2.242750|2.686351|5.375556|3.802925|4.377935|6.185087|7.725682|5.454618|4.095428|5.853212|3.115678|2.506118|12.498058|0.255210|7.615275|4.945778|6.487077|53.358707| |2.297742|2.786270|5.435203|3.830409|4.668120|6.756056|7.089606|4.869664|3.885319|5.521827|2.861107|2.343073|9.151522|0.181657|7.038242|4.611993|5.875728|25.701150|0.500000| |2.005170|2.354346|4.641099|3.176530|3.577705|4.750255|5.669106|4.384652|3.415862|5.077277|2.771356|2.277752|9.006257|0.220197|7.152866|4.666994|7.559507|25.609529|0.330948|0.500000| |2.275996|2.690552|5.449936|3.780063|4.107207|5.208013|6.354658|5.328442|4.163247|6.123600|3.290508|2.652001|7.439321|0.194402|4.916639|3.764751|4.432977|17.472052|0.258932|0.262671|36.858105| |1.974124|2.276948|4.458685|2.945862|3.190692|3.824517|4.264202|3.731509|3.134711|4.842746|2.644656|2.228994|4.990104|0.134374|3.913713|3.067793|3.898478|10.701831|0.193152|0.222908|12.440201|36.858105| |1.810115|2.076630|4.012577|2.630443|2.882959|3.485995|3.836670|3.295705|2.772520|4.307400|2.368247|2.017360|4.747640|0.127286|4.032470|3.096562|4.331062|10.054045|0.187469|0.255393|8.106800|15.858322|73.516695| |1.937893|2.200140|4.278457|2.749901|2.902993|3.293726|3.564971|3.296797|2.902537|4.616244|2.526422|2.176427|3.854351|0.105683|3.114405|2.571912|3.066340|7.143125|0.136740|0.142973|7.883253|14.263840|14.903613|53.358707| |1.726345|1.925882|3.672654|2.301388|2.420901|2.682225|2.830140|2.646159|2.392460|3.888770|2.142132|1.894739|3.045613|0.083791|2.603579|2.197351|2.633200|5.331381|0.105614|0.111110|5.025852|7.743061|11.636591|18.249113|36.858105| |1.553647|1.720783|3.270525|2.041306|2.145698|2.390443|2.541573|2.374205|2.133313|3.493016|1.950804|1.737362|2.814183|0.078539|2.485257|2.107674|2.608992|4.828342|0.094680|0.105672|4.219729|6.276913|11.355738|10.574590|13.751783|36.858105| |1.418162|1.552842|2.917721|1.793356|1.877450|2.055718|2.152137|2.028659|1.856176|3.075886|1.718912|1.556203|2.344081|0.065257|2.124514|1.838022|2.234272|3.867760|0.077204|0.083920|3.240642|4.341689|7.974506|6.972576|7.906956|13.769717|36.858105| |1.411227|1.534912|2.859100|1.736646|1.811678|1.948459|2.007662|1.907446|1.777486|2.964453|1.644419|1.503912|2.130030|0.058802|1.930433|1.688882|1.989531|3.458275|0.070106|0.073083|2.907030|3.713494|6.517314|6.159619|6.830434|7.927561|13.663691|36.858105| |1.536730|1.674790|3.116334|1.888513|1.967614|2.096098|2.141054|2.040984|1.919962|3.197107|1.755848|1.604151|2.225194|0.060934|1.983568|1.733579|1.999411|3.629147|0.074160|0.074798|3.136862|3.962291|6.569933|7.019714|7.927380|6.909108|7.950316|13.771003|36.858105| |1.712770|1.890740|3.555733|2.183981|2.283345|2.455231|2.523127|2.392377|2.229951|3.669529|2.002645|1.802305|2.615581|0.071304|2.268946|1.955005|2.256577|4.388929|0.089328|0.089062|3.995722|5.268189|8.123934|10.699282|13.732429|7.980128|6.884927|7.936380|13.802599|36.858105| |1.941538|2.143827|4.009972|2.433626|2.525049|2.632641|2.643706|2.541366|2.439496|4.022952|2.149300|1.942623|2.610941|0.070242|2.234326|1.947922|2.145820|4.271104|0.088378|0.082870|3.930912|4.578401|6.758518|8.687804|6.983505|4.755194|4.221745|4.768730|7.063113|10.912707|448.794386| |1.296012|1.397288|2.582424|1.553167|1.615755|1.721389|1.761261|1.681285|1.581550|2.657467|1.475917|1.364312|1.857109|0.051264|1.710751|1.516050|1.766684|2.947498|0.060065|0.062220|2.414219|2.951929|5.256178|4.668192|4.607714|5.214755|7.913878|14.133270|8.140070|5.276814|30.403860|73.516695| |1.209733|1.295190|2.401280|1.438247|1.482574|1.574741|1.624557|1.567151|1.475675|2.502686|1.404048|1.307071|1.716022|0.047897|1.588116|1.423515|1.648664|2.676260|0.053929|0.056685|2.178122|2.604705|4.652856|4.040956|3.793389|4.383368|6.271259|8.011288|5.538588|4.105127|25.149430|23.905440|36.858105| |1.159269|1.243838|2.311846|1.391259|1.437779|1.540466|1.599651|1.536612|1.434426|2.427781|1.369649|1.271326|1.715034|0.048112|1.604929|1.438321|1.694125|2.667754|0.053463|0.057391|2.134033|2.557668|4.705811|3.831829|3.504531|4.310924|6.132915|6.142568|4.315370|3.514838|21.726104|13.881372|12.544481|36.858105| |1.217627|1.314782|2.465008|1.497584|1.548818|1.679281|1.766928|1.692503|1.559203|2.627245|1.490782|1.371194|1.925766|0.054491|1.792111|1.592854|1.914945|3.027535|0.059872|0.066100|2.434934|2.989203|5.594133|4.442713|4.098855|5.539236|8.009341|6.291541|4.395950|3.812757|22.802116|11.149949|7.498468|12.543186|36.858105| |1.306643|1.424733|2.671695|1.638159|1.713660|1.879464|1.973253|1.860722|1.699302|2.827313|1.591051|1.447081|2.173579|0.060908|2.014725|1.757296|2.162976|3.514679|0.069913|0.077585|2.834290|3.649190|7.024880|5.415462|5.268292|8.151499|14.125012|7.919129|5.222300|4.631130|26.101810|11.885144|6.257750|7.797152|13.444873|73.516695| |17.588276|8.869451|12.936341|4.902893|4.025658|3.138889|2.869934|3.148751|4.026675|7.567066|3.361776|3.374200|2.340129|0.061912|2.159839|2.237414|1.841784|2.919168|0.060435|0.053592|2.157982|1.869961|3.067791|2.484127|1.628579|1.478593|1.351175|1.338094|1.446170|1.604922|14.398859|2.189633|1.156149|1.113224|1.171546|2.226484|0.500000| |17.565092|8.895046|10.242279|4.246437|3.840953|2.998462|2.648563|2.774020|3.383358|5.996960|2.736708|2.688062|2.193285|0.057213|2.037654|2.056183|1.754908|2.819060|0.059472|0.051881|2.089293|1.842515|3.027735|2.468108|1.633816|1.476099|1.357060|1.356464|1.475438|1.631670|14.831205|2.227037|1.168274|1.118661|1.168848|2.227996|0.300511|0.500000| |17.586506|8.867585|12.938409|4.889996|4.022544|3.132753|2.861685|3.136413|4.005899|7.513634|3.323541|3.326867|2.334862|0.061770|2.101620|2.109393|1.808268|3.003635|0.062351|0.054871|2.289339|1.994797|3.223088|2.703023|1.771428|1.584797|1.447888|1.448160|1.586524|1.770725|16.315294|2.362549|1.241526|1.183639|1.241177|2.361153|0.300911|0.300508|0.500000| |8.841125|17.550802|16.514875|7.078578|6.761634|4.582235|3.739543|3.795658|4.747501|7.524192|3.226761|2.927715|2.916275|0.073657|2.611609|2.539419|2.180186|3.785469|0.081460|0.067425|2.819754|2.405834|3.874850|3.191110|2.052552|1.814388|1.636643|1.628136|1.792994|2.034265|18.849504|2.628357|1.360313|1.299069|1.369190|2.650495|0.173376|0.212552|0.212142|0.500000| |8.839196|17.555476|16.520057|7.121390|6.778042|4.602377|3.758936|3.818829|4.784231|7.580983|3.262832|2.960726|2.927104|0.073915|2.726494|2.773373|2.240027|3.620722|0.077323|0.065099|2.584631|2.195574|3.613287|2.846775|1.838809|1.659668|1.500583|1.476065|1.597219|1.793149|16.049764|2.395988|1.250160|1.207563|1.277324|2.463988|0.212193|0.212434|0.173343|0.300500|0.500000| |4.680284|7.431734|12.584043|8.945373|17.775412|8.939134|5.660688|4.968608|5.623036|7.604344|3.319237|2.807219|4.093594|0.096465|3.694175|3.490713|2.890213|5.130183|0.115021|0.088205|3.541215|2.892493|4.714509|3.635850|2.279120|2.026014|1.794785|1.748026|1.901696|2.184200|19.530519|2.792177|1.436703|1.389493|1.484141|2.917132|0.115051|0.117981|0.115173|0.226813|0.225863|0.500000| |2.985935|3.911342|7.483150|5.653474|8.961550|17.690180|8.881940|5.628592|4.935857|6.526366|3.122371|2.550252|6.905219|0.139405|6.324501|5.052152|4.425927|8.540177|0.214103|0.137672|4.926958|3.830950|6.423862|4.422001|2.689121|2.417681|2.087226|1.974510|2.112552|2.459125|20.878044|3.107684|1.589432|1.560197|1.697810|3.405325|0.077865|0.076830|0.077694|0.113704|0.114252|0.218703|0.500000| |2.809437|3.321539|7.619733|5.626553|4.966515|5.665265|8.889037|17.750190|8.977729|12.653425|7.467960|4.694209|7.064770|0.230149|4.907641|4.948371|3.857244|7.004345|0.121712|0.120407|5.176039|3.699725|5.843672|4.457680|2.638447|2.400279|2.046132|1.906846|2.021334|2.358347|19.715853|2.987078|1.580220|1.558097|1.729073|3.357243|0.077811|0.068277|0.077455|0.088146|0.088697|0.107834|0.123866|0.500000| |2.924559|3.219771|7.504002|4.725219|3.777693|3.731111|4.558026|6.737057|7.038907|16.518601|17.534253|8.845311|3.857325|0.118311|3.073808|3.136469|2.643555|4.577917|0.084068|0.083076|3.704335|2.947228|4.611134|3.861781|2.372676|2.146890|1.873080|1.784188|1.909928|2.199258|18.891709|2.824296|1.512017|1.472636|1.613390|3.063604|0.082186|0.069806|0.084494|0.084283|0.082012|0.087722|0.086256|0.228360|0.500000| |2.960491|3.266724|7.606732|4.800464|3.833922|3.781323|4.604860|6.779989|7.137291|16.527926|17.546531|8.838435|3.874219|0.118008|3.267808|3.605396|2.748140|4.296478|0.079868|0.078758|3.208532|2.581037|4.184711|3.288875|2.056991|1.899687|1.674609|1.588974|1.678983|1.904048|16.106880|2.541489|1.363438|1.341094|1.465120|2.780826|0.086404|0.070649|0.082201|0.082292|0.086543|0.088964|0.087399|0.226074|0.300455|0.500000| |2.688166|2.737173|6.002697|3.384065|2.774524|2.653183|2.993957|3.838130|4.243420|10.246276|8.889681|17.563704|2.656631|0.079579|2.313834|2.455823|2.058023|3.212780|0.060848|0.060498|2.498564|2.133769|3.458747|2.841557|1.833395|1.698648|1.526989|1.470632|1.557263|1.738056|14.835491|2.378425|1.290940|1.260603|1.362451|2.539240|0.079099|0.064861|0.078012|0.069865|0.070662|0.068235|0.064199|0.118234|0.212695|0.212366|0.500000| |3.376377|3.368485|7.599214|4.040301|3.159174|2.882930|3.137963|4.027035|4.909255|12.940944|8.872089|17.590571|2.666577|0.077188|2.357768|2.540833|2.047195|3.179637|0.061421|0.059151|2.417551|2.047615|3.331722|2.706280|1.745533|1.608661|1.449988|1.404276|1.493760|1.667105|14.411187|2.277411|1.226790|1.195330|1.283634|2.407924|0.103683|0.079127|0.096718|0.082387|0.086598|0.077973|0.069000|0.115281|0.173433|0.212233|0.300478|0.500000| |3.326474|3.320081|7.504756|3.998507|3.129508|2.861829|3.124092|4.019397|4.880407|12.949417|8.868403|17.587620|2.661520|0.077277|2.282183|2.360083|2.003083|3.289164|0.063283|0.060920|2.609708|2.216564|3.535185|2.999331|1.926108|1.750443|1.572983|1.533458|1.649280|1.854467|16.302310|2.473973|1.331475|1.285488|1.379645|2.584273|0.096716|0.078010|0.100609|0.084450|0.082127|0.077182|0.068461|0.115591|0.212188|0.173342|0.300448|0.301002|0.500000| |2.266556|2.746417|5.310104|3.725171|4.574035|6.647512|6.803039|4.664378|3.752315|5.352938|2.788387|2.293739|8.869918|0.174388|17.522615|8.914147|8.877714|9.381605|0.207251|0.175011|4.554711|3.732379|6.852606|4.097992|2.545682|2.411648|2.080166|1.909532|1.972613|2.250485|17.975971|3.019797|1.565076|1.574422|1.741239|3.494849|0.061315|0.058894|0.059626|0.076652|0.080360|0.113974|0.222374|0.116907|0.077822|0.082100|0.059732|0.062007|0.060117|0.500000| |2.117922|2.455316|4.982316|3.390564|3.548661|4.374149|5.536309|5.002392|3.874253|5.910082|3.367604|2.714532|6.858411|0.205616|8.764102|17.536472|6.866021|6.239639|0.113637|0.123152|3.662701|3.001503|5.366721|3.451388|2.170264|2.097879|1.828760|1.672465|1.708497|1.922013|15.266640|2.669759|1.421037|1.440965|1.604017|3.122769|0.059496|0.054038|0.056266|0.065444|0.070710|0.085447|0.114834|0.146848|0.092571|0.108508|0.072736|0.073376|0.067818|0.173539|0.500000| |2.063425|2.405700|4.688906|3.138639|3.467152|4.265849|4.711862|3.972837|3.311863|5.026828|2.742283|2.294728|5.515696|0.141516|8.838052|17.587907|6.990776|5.580008|0.110062|0.111429|3.195241|2.720653|4.976065|3.143290|2.014843|1.954805|1.726522|1.589435|1.620599|1.805897|14.368714|2.557748|1.354125|1.374414|1.515263|2.962595|0.057711|0.053544|0.054002|0.064529|0.071178|0.087091|0.121236|0.107527|0.074368|0.085095|0.060893|0.063262|0.058477|0.214665|0.302191|0.500000| |2.514974|3.022779|6.135946|4.334734|4.758968|6.002953|6.996995|5.837337|4.688333|6.719929|3.543451|2.834966|6.915440|0.170415|8.723599|17.609184|5.485215|6.193831|0.120957|0.114039|3.619893|2.903636|5.077640|3.381602|2.118286|2.003636|1.754988|1.631519|1.691269|1.910861|15.582234|2.608782|1.375922|1.379085|1.515485|2.961005|0.070597|0.063852|0.065286|0.079490|0.089731|0.112525|0.154529|0.149020|0.093697|0.111945|0.073320|0.078360|0.071278|0.212623|0.301008|0.302159|0.500000| |1.810785|2.102921|4.051289|2.707516|3.067382|3.955544|4.411984|3.500841|2.843590|4.316539|2.369633|1.995105|6.505893|0.161825|8.623307|5.471430|17.533081|9.539720|0.184535|0.256082|4.709946|4.400464|9.261356|4.579410|2.907334|2.910690|2.471356|2.175881|2.173142|2.457133|18.420938|3.413211|1.775768|1.831527|2.081804|4.255574|0.049025|0.047416|0.048800|0.059319|0.059730|0.078071|0.120558|0.096283|0.068591|0.069229|0.053426|0.053004|0.052721|0.213526|0.138579|0.143487|0.121853|0.500000| |1.772732|2.043902|3.929663|2.598946|2.900854|3.631693|4.021529|3.312305|2.734791|4.204309|2.326009|1.972728|5.458869|0.141825|8.830296|7.127838|17.594230|6.544408|0.127942|0.149047|3.554093|3.222128|6.340391|3.578846|2.317770|2.316754|2.027199|1.819529|1.819072|2.021556|15.478676|2.909541|1.534898|1.583306|1.774305|3.529793|0.048690|0.046470|0.047281|0.056543|0.059011|0.074169|0.108544|0.091821|0.065751|0.069678|0.053046|0.053197|0.051393|0.210139|0.176464|0.217561|0.143764|0.305292|0.500000| |1.800197|2.068195|4.077897|2.724466|2.948203|3.712537|4.496670|3.806575|3.001302|4.633143|2.635940|2.192843|6.841307|0.206306|8.731807|6.715001|17.527464|8.078789|0.139707|0.196338|4.388760|3.886044|7.628230|4.191787|2.646195|2.654875|2.265308|1.998881|1.995071|2.247304|16.987863|3.151730|1.670572|1.726499|1.970996|3.925231|0.049433|0.046664|0.048653|0.057201|0.058490|0.073276|0.104973|0.111261|0.076559|0.079282|0.059513|0.057968|0.056881|0.173027|0.198742|0.166907|0.138051|0.300230|0.302822|0.500000| |2.237481|2.605702|5.394030|3.712946|3.816584|4.664993|6.116065|5.751393|4.348550|6.573211|3.688952|2.916856|7.151617|0.220947|4.664360|3.773596|4.254495|12.388102|0.181861|0.212473|17.612750|8.842685|11.520631|9.158991|4.547595|3.950521|3.073223|2.747223|2.930131|3.654609|28.734061|4.090617|2.117457|2.084636|2.394176|4.846537|0.059625|0.056590|0.062909|0.074423|0.069152|0.090249|0.117655|0.169820|0.119922|0.100125|0.077194|0.072494|0.079034|0.114418|0.106518|0.087893|0.100610|0.119908|0.095252|0.123786|0.500000| |2.552523|3.072241|6.263333|4.408930|4.830244|5.943652|6.745840|5.743914|4.710372|6.760728|3.478908|2.797653|6.478192|0.161181|4.419462|3.524108|3.801522|12.331008|0.230327|0.183503|17.663087|8.668534|10.694592|9.733893|4.712390|3.796232|3.011544|2.802596|3.118078|4.013185|34.457667|4.168777|2.102215|2.025431|2.263338|4.634097|0.066208|0.064672|0.071743|0.091197|0.080562|0.114411|0.150600|0.144584|0.108081|0.091618|0.071793|0.070832|0.077673|0.118987|0.093630|0.083526|0.097983|0.110135|0.087700|0.102223|0.301363|0.500000| |2.088703|2.371695|4.652947|2.980065|3.089352|3.419834|3.688550|3.513871|3.153705|5.042226|2.737195|2.354871|3.782940|0.103816|2.998264|2.525621|2.859298|6.668697|0.128214|0.126379|7.639158|9.512637|10.848719|26.023410|9.266672|5.824040|4.295677|4.044424|4.822109|7.346009|59.472008|5.615212|2.765544|2.576108|2.910831|6.058408|0.054315|0.053942|0.060071|0.070608|0.061726|0.078487|0.091388|0.096213|0.086328|0.071336|0.062266|0.059263|0.067049|0.080682|0.069231|0.062601|0.068972|0.084991|0.068562|0.079687|0.189375|0.221560|0.500000| |1.536102|1.706808|3.263943|2.054373|2.163151|2.448063|2.649139|2.457868|2.170040|3.538809|1.993259|1.761962|3.029512|0.085693|2.690986|2.261541|2.903397|5.235497|0.100194|0.119401|4.453740|6.714807|13.588277|9.608103|8.896609|17.798708|9.023310|5.666859|4.977490|5.658954|31.414380|7.505267|3.768167|3.935856|5.270838|13.406552|0.040843|0.040436|0.043298|0.049599|0.046000|0.056313|0.068875|0.069797|0.060985|0.054500|0.048056|0.045321|0.048844|0.071509|0.062959|0.058222|0.058899|0.090941|0.070995|0.083289|0.117676|0.106209|0.146328|0.500000| |1.509293|1.631455|3.009434|1.802143|1.869868|1.962234|1.982468|1.902872|1.816259|3.046152|1.666146|1.537732|2.028667|0.055380|1.820927|1.609078|1.820390|3.244644|0.066807|0.066186|2.764521|3.332495|5.524630|5.689620|5.640807|4.974519|5.664210|8.986780|17.764991|8.920525|53.988453|13.310353|5.256331|3.929532|3.770056|7.495529|0.039353|0.040454|0.043438|0.048671|0.043114|0.050628|0.054871|0.052107|0.050033|0.044095|0.041410|0.039918|0.044159|0.050581|0.043970|0.041940|0.043900|0.054518|0.046378|0.050277|0.072101|0.077810|0.113613|0.108006|0.500000| |1.233918|1.317464|2.455065|1.468050|1.501147|1.589009|1.649704|1.606813|1.515575|2.585474|1.457996|1.360878|1.734839|0.048756|1.590557|1.431527|1.641814|2.692908|0.053812|0.056716|2.222648|2.638842|4.624796|4.165420|3.890039|4.388598|5.927473|7.384318|5.598466|4.238960|26.181748|16.509531|17.532022|8.807354|6.822896|9.920551|0.032782|0.032994|0.035324|0.038371|0.035172|0.040231|0.044193|0.045225|0.043850|0.039178|0.037436|0.035324|0.038627|0.043303|0.039879|0.037657|0.038527|0.048782|0.042303|0.046481|0.060733|0.059704|0.080294|0.104500|0.147765|0.500000| |1.155742|1.231091|2.269329|1.350509|1.390751|1.466797|1.503049|1.452880|1.378272|2.345570|1.312923|1.229938|1.575812|0.043843|1.467724|1.324415|1.517431|2.432831|0.049303|0.051249|1.961396|2.299323|4.099747|3.524981|3.202589|3.555944|4.715346|5.928909|4.640037|3.520865|22.785786|17.015614|17.643115|8.865015|5.490332|8.420839|0.030682|0.031122|0.032955|0.035924|0.033033|0.037635|0.041167|0.040568|0.039066|0.035403|0.033732|0.032187|0.034860|0.040350|0.036659|0.035130|0.035683|0.045210|0.039491|0.042556|0.052934|0.053054|0.067995|0.086771|0.131131|0.301383|0.500000| |1.099998|1.173943|2.182278|1.307448|1.343457|1.432693|1.490682|1.442312|1.351278|2.302054|1.305162|1.219084|1.592928|0.044909|1.496054|1.353751|1.578172|2.443569|0.048793|0.052422|1.945254|2.283145|4.178443|3.389426|2.999644|3.575846|4.672591|4.678183|3.578997|3.007255|19.319751|10.100921|8.944837|17.520214|8.947297|10.095597|0.029432|0.029497|0.031220|0.033928|0.031667|0.036061|0.040158|0.040777|0.038921|0.035539|0.033717|0.031868|0.034234|0.040656|0.037826|0.036013|0.036097|0.047004|0.041173|0.044868|0.053317|0.051397|0.064182|0.093171|0.093058|0.212073|0.216360|0.500000| |1.133037|1.217272|2.250809|1.354532|1.408692|1.511274|1.558524|1.486133|1.388021|2.340101|1.313912|1.218685|1.673667|0.046627|1.582554|1.415898|1.677340|2.604451|0.052655|0.056199|2.052215|2.452945|4.580275|3.608872|3.257848|3.966844|5.491735|5.495779|3.967485|3.265468|20.505989|12.674408|8.912497|17.566155|8.912486|12.664507|0.030210|0.030469|0.032023|0.035353|0.032955|0.037994|0.042821|0.041655|0.039026|0.035839|0.033486|0.031966|0.034163|0.043388|0.039218|0.037779|0.037664|0.050629|0.043790|0.047164|0.055165|0.054179|0.067172|0.102026|0.101724|0.173554|0.214096|0.301722|0.500000| |1.242747|1.338894|2.525564|1.533303|1.572187|1.699914|1.804012|1.746929|1.609268|2.727710|1.558771|1.435876|1.959284|0.055989|1.801984|1.609365|1.912597|3.063171|0.059898|0.066459|2.506519|3.054692|5.577580|4.624989|4.233964|5.596098|7.385376|5.955516|4.409328|3.915271|23.521588|9.950838|6.829544|8.810131|17.529297|16.510467|0.033255|0.033018|0.035320|0.038645|0.035984|0.041626|0.047306|0.049927|0.047182|0.042423|0.039780|0.037144|0.040206|0.048279|0.045303|0.042286|0.042628|0.057219|0.048977|0.055148|0.069590|0.064668|0.085104|0.147769|0.104812|0.203468|0.140379|0.212077|0.173582|0.500000| |1.167208|1.259531|2.361382|1.435571|1.485620|1.615694|1.704699|1.630684|1.497512|2.524500|1.437860|1.323292|1.872959|0.053191|1.764956|1.575310|1.909978|2.915594|0.057509|0.064251|2.299475|2.778852|5.303326|3.993089|3.518454|4.643472|5.928393|4.724317|3.563184|3.216437|19.983924|8.431442|5.491131|8.867316|17.640246|17.017959|0.031312|0.031141|0.032936|0.036276|0.034139|0.039533|0.045474|0.046437|0.043068|0.039508|0.036637|0.034508|0.036799|0.047495|0.044203|0.041854|0.041413|0.057647|0.049489|0.054873|0.063123|0.058964|0.072811|0.131610|0.086773|0.140354|0.123661|0.216702|0.213998|0.301349|0.500000| 1907.095979 -11440.557359 4356.942112 -224.112449 -5400.631717 3491.649789 -1908.981928 2.000989 406200000000002D 44C2B8AC39B7296A 4442CB77B16891FC 41E4430D1A000006 B7C16C2614EA0801 43826375B5292C16