Version2.0 2020-07-17T21:07:45Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C4([C@H]2O)CC[NH+](CC4)Cc5c6ccccc6ccc5O C11881015 RHF 6-31G(d) (6D,7F) c1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C4([C@H]2O)CC[NH+](CC4)Cc5c6ccccc6ccc5O C01[X(C31H31N2O3)] 195 C1 602 O=C(c1ccccc1)N[C@@H]1c2ccccc2C2([C@H]1O)CC[NH+](CC2)Cc1c(O)ccc2c1cccc2 O=C(c1ccccc1)N[C@@H]1c2ccccc2C2([C@H]1O)CC[NH+](CC2)Cc1c(O)ccc2c1cccc2 O[C@H]1[C@H](NC(=O)c2ccccc2)c3ccccc3C14CC[NH+](CC4)Cc5c(O)ccc6ccccc56 InChIKey=SQZBKPKWXRRMKG-WDYNHAJCSA-O InChI=1S/C31H30N2O3/c34-27-15-14-21-8-4-5-11-23(21)25(27)20-33-18-16-31(17-19-33)26-13-7-6-12-24(26)28(29(31)35)32-30(36)22-9-2-1-3-10-22/h1-15,28-29,34-35H,16-20H2,(H,32,36)/p+1/t28-,29+/m1/s1 InChI=1/C31H30N2O3/c34-27-15-14-21-8-4-5-11-23(21)25(27)20-33-18-16-31(17-19-33)26-13-7-6-12-24(26)28(29(31)35)32-30(36)22-9-2-1-3-10-22/h1-15,28-29,34-35H,16-20H2,(H,32,36)/p+1/t28-,29+/m1/s1/fC31H31N2O3/h32-33H/q+1 c1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C4([C@H]2O)CC[NH+](CC4)Cc5c6ccccc6ccc5O C01[X(C31H31N2O3)] 195 C01 602 O=C(c1ccccc1)N[C@@H]1c2ccccc2C2([C@H]1O)CC[NH+](CC2)Cc1c(O)ccc2c1cccc2 O[C@H]1[C@H](NC(=O)[C]2[CH][CH][CH][CH][CH]2)[C]2[C]([CH][CH][CH][CH]2)[C@@]21CC[NH](CC2)C[C]1[C]([CH]=[CH][C]2[C]1[CH]=[CH][CH]=[CH]2)O O[C]1C=C[C]2C=CC=C[C]2[C]1C[NH]3CCC4(CC3)[C]5[CH][CH][CH][CH][C]5[C@@H](NC(=O)[C]6[CH][CH][CH][CH][CH]6)[C@@H]4O InChIKey=ZOJSOYHKVUQAQK-WDYNHAJCSA-N InChI=1S/C31H31N2O3/c34-27-15-14-21-8-4-5-11-23(21)25(27)20-33-18-16-31(17-19-33)26-13-7-6-12-24(26)28(29(31)35)32-30(36)22-9-2-1-3-10-22/h1-15,28-29,33-35H,16-20H2,(H,32,36)/t28-,29+/m1/s1 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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| 13.2012 19.8894 24.9790 34.2457 38.5084 51.3937 65.7730 70.6591 87.3205 106.5132 115.2808 144.9341 156.6903 169.9752 184.3032 195.4166 212.6824 231.8875 246.7863 268.4679 292.0683 310.8059 323.4944 340.0012 346.7259 352.2023 367.2144 374.3071 385.4498 410.9258 443.2686 453.3976 454.2690 463.5396 467.9841 472.8089 477.8892 486.9347 501.1057 524.9899 529.7575 555.4772 567.1863 572.7127 583.7646 585.7632 608.4809 616.9532 635.3566 676.5224 678.9558 690.4825 693.3215 724.4529 742.4736 746.3150 761.3009 766.2021 798.9528 805.1942 811.3493 836.2455 842.3760 855.5157 862.9076 868.3323 894.0988 896.8245 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3270.3992 3278.9049 3282.9389 3294.3887 3305.7720 3342.5227 3358.6232 3362.5115 3363.4188 3363.4203 3365.4565 3370.6214 3374.0734 3379.3521 3380.9141 3386.1582 3388.6110 3393.3768 3396.2935 3397.1051 3398.0403 3406.0317 3414.5287 3692.6814 3908.6875 3930.5486 4098.4261 5.8291 5.6760 5.4629 4.0216 5.0437 5.5122 5.3410 5.7037 4.6547 4.8622 5.3960 4.8059 4.3894 4.7649 4.5546 3.6157 4.6952 4.5816 4.3531 4.0901 2.5876 4.5170 5.1978 2.5624 2.4802 1.6589 2.6998 4.1549 3.0678 3.9074 2.5480 2.8903 2.9758 3.6472 2.4763 6.3458 3.1264 2.0761 3.2041 4.0307 3.8549 3.7878 3.1463 4.6886 3.2572 3.3826 3.3672 3.3496 4.0744 6.3761 5.2420 1.0927 4.7115 5.1432 5.6363 3.9395 2.6935 4.8022 5.1076 2.4249 2.1562 2.8164 1.5271 1.6233 2.0783 1.8875 2.3830 4.6469 2.9915 1.6172 4.1842 2.2358 1.2801 1.5472 2.9708 1.5027 3.4726 3.0921 3.6003 1.4152 2.4564 2.4205 1.5446 1.3126 5.9085 2.0238 1.3753 1.3695 2.8772 2.3527 2.3068 1.4456 1.3804 1.9478 1.3592 2.6009 2.7690 3.2411 2.9597 3.6222 1.8236 2.5695 2.3919 2.1616 2.1954 2.7408 2.5316 2.2920 1.5591 1.6791 1.2623 1.1730 1.2763 1.9925 1.5355 1.6048 1.6848 1.6681 1.7128 1.4524 1.3023 1.9649 1.9615 1.8906 1.7317 1.3769 1.3359 1.3909 4.1005 1.3613 1.7592 1.5080 1.4918 1.6158 1.4122 1.3449 1.8876 1.3305 1.5114 1.3336 1.4692 1.3665 2.2077 2.0700 1.1910 2.0531 1.1854 1.1794 1.1249 1.7099 1.2349 2.3523 1.7567 1.2449 2.9853 2.1830 5.1294 6.7616 6.3022 5.1439 5.7106 5.1921 5.9453 8.4588 1.0850 1.0702 1.0705 1.0855 1.0810 1.0783 1.0954 1.0665 1.0668 1.1094 1.0892 1.0906 1.0891 1.0897 1.0991 1.0910 1.0902 1.0932 1.0936 1.0940 1.0966 1.1040 1.0981 1.0978 1.0960 1.0959 1.0950 1.0782 1.0786 1.0668 1.0671 0.0006 0.0013 0.0020 0.0028 0.0044 0.0086 0.0136 0.0168 0.0209 0.0325 0.0423 0.0595 0.0635 0.0811 0.0912 0.0814 0.1251 0.1452 0.1562 0.1737 0.1301 0.2571 0.3205 0.1745 0.1757 0.1212 0.2145 0.3430 0.2685 0.3887 0.2950 0.3501 0.3618 0.4617 0.3195 0.8358 0.4207 0.2900 0.4740 0.6545 0.6374 0.6886 0.5964 0.9061 0.6540 0.6838 0.7345 0.7512 0.9691 1.7194 1.4237 0.3069 1.3344 1.5904 1.8307 1.2928 0.9198 1.6610 1.9209 0.9263 0.8363 1.1604 0.6384 0.7000 0.9118 0.8385 1.1224 2.2021 1.4364 0.7968 2.1778 1.2145 0.6968 0.8567 1.7160 0.8735 2.1111 1.9082 2.2576 0.9450 1.6549 1.6436 1.0681 0.9181 4.1445 1.4413 0.9940 1.0004 2.1313 1.7668 1.7347 1.0937 1.0468 1.4786 1.0453 2.0228 2.1946 2.6067 2.3981 2.9914 1.5213 2.1967 2.0807 1.9114 1.9791 2.5032 2.3891 2.1854 1.4924 1.6375 1.2462 1.1628 1.2814 2.0182 1.5688 1.6960 1.7841 1.7843 1.8501 1.5994 1.4776 2.2592 2.2652 2.1947 2.0541 1.6768 1.6589 1.7313 5.2080 1.7441 2.2552 1.9601 1.9854 2.1605 1.9093 1.8691 2.6352 1.8772 2.1665 1.9438 2.1876 2.0492 3.3560 3.1688 1.8246 3.2040 1.8519 1.8620 1.7871 2.7253 1.9799 3.8100 2.8666 2.0351 5.0438 3.7236 9.5787 12.7116 11.8545 9.8986 11.0361 10.0826 11.8669 17.8377 6.5075 6.4900 6.5191 6.6240 6.8118 6.8301 6.9560 6.8197 6.8687 7.3025 7.2393 7.2650 7.2590 7.2628 7.3349 7.3026 7.3122 7.3553 7.3650 7.3904 7.4188 7.4898 7.4628 7.4643 7.4560 7.4906 7.5221 8.6619 9.7089 9.7106 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12.4589 5.9808 11.0322 25.9689 23.1877 44.0713 170.0200 14.5037 31.9768 11.3475 77.3050 31.8659 10.0228 0.6832 17.9565 12.5661 17.1877 71.2173 88.1353 23.2684 64.7480 489.9075 22.6742 59.0238 0.8145 25.0278 3.5862 5.2070 53.8330 318.3608 26.7779 4.8449 30.6875 25.3225 10.8045 14.8831 8.8047 11.8527 14.0544 3.0785 15.9431 3.2884 13.2171 0.5593 4.5182 1.0192 3.8224 1.8463 17.8641 21.1516 8.7159 3.6986 18.1126 18.0293 23.7934 16.3975 3.4036 53.2349 39.4280 553.2835 185.6785 0.7031 2.7241 1.9355 9.7691 7.1078 4.4305 2.8266 0.6773 1.8637 1.6404 3.2974 3.3382 2.6011 3.1875 1.4007 1.6252 1.9003 1.4903 2.6373 0.7542 0.6104 0.9348 1.4607 0.4478 1.1484 1.5202 0.8731 1.6272 1.1180 2.5223 0.8878 1.8828 1.9148 3.0907 1.0107 10.4771 2.0236 1.1256 1.6661 1.4317 2.3213 1.5072 2.3051 4.9086 3.2114 0.1483 0.0480 1.1321 5.3565 6.3279 1.6466 0.5818 3.9298 2.6489 2.8177 4.5064 0.3712 4.3246 4.9624 13.9112 10.4293 2.9482 4.9375 4.1843 2.5071 3.1489 5.2176 1.1687 0.8609 2.5819 4.0656 1.0413 2.8553 2.1517 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 15.99491 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 9682.1328 36913.3554 43486.9751 1.00000 0.00005 0.00090 -0.00006 0.99999 0.00422 -0.00090 -0.00422 0.99999 1 0.00895 0.00235 0.00199 0.18640 0.04889 0.04150 18.99 28.62 35.94 49.27 55.40 73.94 94.63 101.66 125.63 153.25 165.86 208.53 225.44 244.56 265.17 281.16 306.00 333.63 355.07 386.27 420.22 447.18 465.44 489.19 498.86 506.74 528.34 538.54 554.58 591.23 637.76 652.34 653.59 666.93 673.32 680.27 687.58 700.59 720.98 755.34 762.20 799.21 816.05 824.01 839.91 842.78 875.47 887.66 914.14 973.36 976.87 993.45 997.53 1042.33 1068.25 1073.78 1095.34 1102.39 1149.51 1158.49 1167.35 1203.17 1211.99 1230.90 1241.53 1249.34 1286.41 1290.33 1298.84 1315.73 1352.29 1381.48 1382.97 1394.79 1424.62 1429.09 1461.49 1472.49 1484.28 1531.70 1538.50 1544.58 1558.71 1567.61 1569.88 1581.85 1593.53 1602.00 1613.28 1624.36 1625.46 1630.46 1632.30 1633.12 1643.78 1653.04 1668.71 1680.98 1687.22 1703.41 1712.01 1733.14 1748.27 1762.60 1779.71 1791.35 1820.92 1830.30 1833.87 1851.09 1862.43 1866.24 1878.19 1886.50 1894.65 1926.95 1928.85 1938.61 1948.09 1967.01 1996.59 2009.90 2014.29 2019.57 2041.47 2068.54 2088.79 2091.28 2112.45 2121.65 2122.25 2137.02 2162.41 2167.45 2179.47 2209.74 2214.71 2226.50 2244.19 2263.02 2287.27 2295.39 2311.03 2319.17 2320.02 2341.57 2342.86 2355.19 2362.55 2366.43 2373.42 2385.52 2394.43 2396.60 2436.45 2448.06 2561.46 2570.06 2570.77 2600.22 2605.75 2612.06 2648.19 2721.97 4590.47 4615.95 4625.71 4630.36 4705.38 4717.61 4723.42 4739.89 4756.27 4809.14 4832.31 4837.90 4839.21 4839.21 4842.14 4849.57 4854.54 4862.13 4864.38 4871.93 4875.46 4882.31 4886.51 4887.68 4889.02 4900.52 4912.75 5312.94 5623.73 5655.18 5896.72 0.607938 0.635425 0.636369 0.547293 -1524.718303 -1524.690815 -1524.689871 -1524.778947 2.987624D-04 MUNgauss RevisionA2.0 retrievium 17-Jul-2020 DUDE c1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C4([C@H]2O)CC[NH+](CC4)Cc5c6ccccc6ccc5O C11881015 RHF 6-31G(d) (6D,10F) C1 479.233468 |X|Y|Z| 67.579198 137.544289 32.307229 66.965600 33 6 7 31 2 |36.858105| |13.742905|36.858105| |7.942885|13.773471|36.858105| |6.863701|7.923982|13.701454|36.858105| |7.944682|6.872438|7.925736|13.690154|36.858105| |13.745314|7.930824|6.869407|7.918211|13.767832|36.858105| |4.463007|5.080964|7.724260|12.750489|7.511686|5.017849|36.858105| |3.822855|4.553098|6.777274|8.055302|5.291218|4.010695|15.711188|73.516695| |3.758573|3.959707|5.223331|7.823492|6.524478|4.441996|14.110100|15.187047|53.358707| |2.932982|3.107736|3.909596|5.017388|4.358297|3.317823|7.777997|12.331969|17.838362|36.858105| |2.814920|3.061800|3.876003|4.681467|3.909673|3.076641|7.085355|12.608010|12.494883|17.535344|0.500000| |2.583829|2.640404|3.140160|3.911937|3.727960|2.960232|5.103207|8.010575|10.549616|12.611677|0.245670|36.858105| |2.572823|2.571035|2.970235|3.658325|3.656684|2.975626|4.368248|6.666855|8.476468|7.308750|0.172761|13.757204|36.858105| |2.219088|2.190417|2.456990|2.924146|2.989194|2.540391|3.336312|5.272934|5.916458|4.966755|0.123185|7.977280|13.745347|36.858105| |1.986305|1.971341|2.204953|2.585355|2.616366|2.247621|2.973074|4.852549|5.112093|4.474807|0.110935|6.905313|7.918899|13.728053|36.858105| |1.989800|2.000975|2.270543|2.667678|2.638430|2.238407|3.172725|5.300066|5.466609|5.151694|0.124607|7.931961|6.828310|7.911343|13.742109|36.858105| |2.234399|2.279904|2.658763|3.193347|3.067726|2.521499|4.025485|6.730591|7.311438|7.982327|0.177203|13.741254|7.906776|6.882754|7.964372|13.747399|36.858105| |2.194727|2.283781|2.696998|3.181222|2.949535|2.430982|4.132938|7.409571|6.947568|7.691682|0.179046|7.930936|5.127137|4.454080|4.946007|7.266931|12.511450|36.858105| |2.621725|2.777492|3.420271|4.188150|3.699527|2.921074|6.045406|11.035421|10.332495|12.339446|0.245344|8.004650|5.107069|4.053629|4.056303|5.112642|8.020590|12.251623|36.858105| |2.757160|2.865665|3.491798|4.387626|4.020996|3.138119|6.053452|10.383690|10.182227|8.958215|0.176854|6.795089|4.728974|3.853668|3.860454|4.747888|6.819758|8.858569|17.505851|0.500000| |2.536997|2.771781|3.446149|3.974190|3.357441|2.725578|5.658266|12.256883|7.969344|7.714996|0.206248|5.281132|3.860433|3.192714|3.195554|3.868507|5.296911|7.806275|13.675931|0.258984|73.516695| |2.008877|2.064245|2.380574|2.761262|2.630768|2.221400|3.391673|6.086737|5.382589|5.019696|0.119985|5.211695|3.914473|3.665410|4.242140|6.038209|7.447719|12.398408|7.434839|0.203810|10.494323|36.858105| |1.898506|1.977056|2.273457|2.559710|2.394319|2.055630|3.106819|5.840848|4.613026|4.103839|0.104159|3.907221|3.080280|2.869954|3.195200|4.140605|4.874658|7.491452|6.008734|0.163234|10.651230|12.502774|36.858105| |1.743183|1.832155|2.099556|2.313871|2.140539|1.859545|2.794556|5.350271|4.096753|3.702354|0.099837|3.552099|2.861674|2.694994|3.004591|3.833450|4.372690|6.374488|4.977612|0.124199|9.493871|7.679224|12.715986|53.358707| |1.636915|1.705820|1.934618|2.132190|2.000682|1.750809|2.534929|4.754001|3.764870|3.381748|0.090987|3.406802|2.805901|2.719209|3.114940|4.004943|4.305469|5.805603|4.310498|0.109224|7.722572|7.207462|9.345437|25.698346|0.500000| |1.845689|1.965493|2.288008|2.519191|2.278643|1.959656|3.131682|6.124414|4.609791|4.395013|0.125240|4.076253|3.203109|2.931881|3.192261|4.053115|4.886702|7.340569|5.791092|0.130335|11.713548|6.510609|7.687421|17.258644|0.257216|36.858105| |1.969780|2.078378|2.435382|2.757245|2.514927|2.126917|3.501489|6.571137|5.506259|5.779342|0.162117|5.764375|4.231286|3.816645|4.230313|5.756268|7.612382|12.304851|7.345385|0.152345|12.017749|7.641884|6.561773|10.356909|0.194548|12.484231|36.858105| |1.617905|1.708420|1.936440|2.085035|1.925540|1.701383|2.456418|4.769351|3.473140|2.988525|0.082049|2.813469|2.353104|2.224586|2.427747|2.942434|3.264201|4.317120|3.811865|0.098687|7.677372|4.977068|7.671332|17.203238|0.261255|7.608304|4.938665|36.858105| |1.469814|1.553104|1.744336|1.854347|1.716270|1.533477|2.154135|4.163519|3.038026|2.598014|0.073052|2.490395|2.137535|2.048437|2.233160|2.645576|2.847948|3.543344|3.122026|0.079899|6.177770|3.831691|4.981508|10.337484|0.203151|6.225680|4.283389|12.634849|36.858105| |1.433580|1.528245|1.713350|1.792334|1.643788|1.478516|2.068602|4.050061|2.863881|2.416616|0.069457|2.277633|1.979600|1.882165|2.011163|2.326963|2.519870|3.055434|2.817512|0.071674|5.721086|3.133640|3.864639|7.176239|0.136623|5.152088|3.699601|7.354903|13.292649|36.858105| |1.518041|1.637487|1.846812|1.909501|1.726188|1.551972|2.210410|4.426081|2.992954|2.497880|0.072648|2.281912|1.976179|1.846460|1.936505|2.222320|2.460702|2.999649|2.908851|0.073785|6.178763|2.993861|3.686395|6.399110|0.114939|4.911523|3.557727|6.234086|7.565659|13.396744|36.858105| |1.448562|1.569748|1.756615|1.787815|1.613782|1.465592|2.038711|4.081649|2.727569|2.236087|0.065742|2.043392|1.801478|1.684740|1.746391|1.965091|2.158010|2.545710|2.515829|0.064169|5.277176|2.495984|2.939129|4.829408|0.089610|3.797219|2.970153|4.314283|5.076902|7.864929|14.003212|36.858105| |1.319390|1.420133|1.572827|1.599348|1.458639|1.334567|1.802288|3.547106|2.432432|1.986559|0.058332|1.853754|1.659770|1.572229|1.634902|1.820457|1.960451|2.255806|2.190916|0.056158|4.444201|2.218158|2.545662|4.164634|0.080365|3.236775|2.633272|3.615937|4.477518|6.749554|7.889924|13.486477|36.858105| |1.263480|1.348385|1.489346|1.529147|1.407805|1.287114|1.723266|3.347154|2.360344|1.942988|0.056615|1.848040|1.658908|1.590493|1.674094|1.870301|1.984444|2.272690|2.147885|0.055122|4.262165|2.264627|2.591833|4.335436|0.086233|3.291278|2.680557|3.779310|5.078007|7.768792|6.849813|7.965855|14.038321|36.858105| |1.308503|1.389783|1.542332|1.603360|1.481242|1.344744|1.823936|3.528966|2.529033|2.111367|0.060931|2.024412|1.796709|1.729581|1.846505|2.097585|2.221019|2.589851|2.383449|0.061020|4.704827|2.631737|3.081453|5.416641|0.109348|3.968325|3.105963|4.937238|7.782282|13.480215|7.854596|6.853546|7.887655|13.426272|36.858105| |1.235426|1.300648|1.434702|1.500514|1.402050|1.276281|1.696326|3.230736|2.381350|1.987934|0.056810|1.951394|1.749059|1.711582|1.850795|2.096876|2.167193|2.478563|2.227274|0.057458|4.260884|2.560404|2.931072|5.099829|0.109098|3.606588|2.948219|4.429419|6.810756|7.792150|5.111094|4.538631|5.139613|7.731717|13.437039|36.858105| |1.258253|1.316272|1.453246|1.535985|1.445180|1.310390|1.742021|3.288319|2.476208|2.082575|0.058705|2.075506|1.851293|1.828674|2.011461|2.309940|2.356603|2.707694|2.363768|0.061280|4.435735|2.882396|3.314682|5.884996|0.133420|3.909589|3.208295|5.036873|7.834410|6.755406|4.492560|3.780444|3.941244|5.135502|7.874855|14.048866|36.858105| |1.368144|1.432027|1.593600|1.699599|1.594765|1.433067|1.951362|3.697965|2.787684|2.373694|0.066215|2.350788|2.052795|2.011299|2.229210|2.627260|2.723121|3.255285|2.785812|0.072110|5.258716|3.586786|4.364689|8.419814|0.196532|5.035891|3.878749|7.758916|13.942920|7.887953|5.092734|3.938881|3.784096|4.539238|6.857708|7.994314|13.513322|36.858105| |1.383649|1.435169|1.593920|1.719427|1.632009|1.462993|1.971297|3.679110|2.858798|2.438417|0.066594|2.471277|2.155520|2.141607|2.425697|2.904041|2.941131|3.496721|2.889891|0.076007|5.255511|4.096159|4.915939|8.995863|0.242229|4.864457|3.996641|7.105357|8.189823|5.228842|3.933230|3.150653|2.994716|3.427846|4.602991|5.248040|7.912808|13.995017|73.516695| |17.723407|8.914601|5.649450|4.947642|5.651007|8.920041|3.565309|5.611534|4.235494|2.521540|0.067610|2.271113|2.282088|2.008881|1.810561|1.803779|1.994883|1.956866|2.287181|0.066633|3.951274|1.812550|1.722061|2.163967|0.041689|1.672194|1.773313|1.486871|1.359624|1.329322|1.404113|1.346684|1.233767|1.182776|1.220765|1.155975|1.175642|1.271543|2.285497|0.500000| |8.910458|17.729259|8.932924|5.641574|4.952635|5.642788|4.142717|7.001205|4.517457|2.725136|0.075870|2.340626|2.280293|1.971741|1.790787|1.818869|2.053457|2.072207|2.477353|0.070242|4.477941|1.886358|1.829474|2.333715|0.044399|1.838270|1.919762|1.617396|1.482401|1.471121|1.583505|1.532707|1.390449|1.314183|1.344573|1.255449|1.263200|1.366365|2.420256|0.214872|0.500000| |5.643973|8.902111|17.756097|8.944870|5.650819|4.953309|7.241763|13.515694|6.612778|3.873396|0.111053|3.049538|2.832644|2.351416|2.133901|2.221413|2.615002|2.711399|3.447704|0.095089|6.465195|2.376986|2.310242|2.946940|0.055021|2.391004|2.506799|2.013297|1.820406|1.807777|1.974020|1.889790|1.680628|1.576699|1.623133|1.496262|1.504589|1.648186|2.901233|0.124080|0.214577|0.500000| |5.662505|4.952277|5.627309|8.850680|17.715238|8.976239|6.857211|8.614314|9.706351|4.719932|0.111926|4.213621|4.176417|3.394444|2.946065|2.953230|3.431499|3.208936|3.986329|0.124004|6.118135|2.872150|2.544237|3.049290|0.058507|2.363422|2.655048|1.987210|1.761106|1.667233|1.732325|1.605909|1.454847|1.414936|1.500485|1.429662|1.485730|1.646858|3.027622|0.124572|0.107529|0.123974|0.500000| |8.908109|5.641953|4.951125|5.638705|8.930786|17.728520|4.082850|5.953799|5.237627|2.986491|0.076379|2.767973|2.835673|2.481263|2.200561|2.165690|2.391612|2.277286|2.665163|0.080072|4.371328|2.112913|1.944482|2.389412|0.046279|1.830189|1.989138|1.607413|1.452844|1.395070|1.453191|1.371673|1.256373|1.218084|1.274625|1.217445|1.254245|1.368295|2.497206|0.214935|0.124074|0.107548|0.217157|0.500000| |3.923585|3.929864|4.909664|7.411580|7.342731|4.884624|9.397819|10.902665|26.114002|9.036638|0.190759|7.491162|7.050735|4.805760|3.947891|4.011039|5.079045|4.462819|5.848413|0.167610|8.105888|3.596422|3.037719|3.681097|0.070398|2.980503|3.568744|2.307845|2.041896|1.921537|1.987026|1.822348|1.644522|1.605633|1.717093|1.633260|1.703154|1.901804|3.493085|0.090382|0.090578|0.121234|0.249265|0.120054|0.500000| |2.839825|2.825068|3.258887|4.041276|4.075917|3.304420|4.657994|6.873112|8.872320|6.592667|0.165550|8.867263|17.700777|8.918012|5.638248|4.927708|5.621002|4.188520|4.469351|0.116683|6.328886|3.304749|2.718534|3.462053|0.068697|2.850619|3.599289|2.144917|1.962405|1.844911|1.862687|1.718736|1.585301|1.572348|1.683391|1.629810|1.706667|1.875187|3.459971|0.069514|0.069032|0.085165|0.127883|0.086883|0.222236|0.500000| |2.152132|2.101683|2.314169|2.712391|2.819812|2.456194|2.983548|4.712914|5.088492|4.027385|0.103153|5.662906|8.922060|17.727951|8.917295|5.638353|4.957917|3.560532|3.335138|0.089369|4.859794|3.047184|2.472517|3.189074|0.065823|2.527121|3.163121|1.978705|1.843498|1.709920|1.679780|1.548424|1.455730|1.472125|1.587906|1.576430|1.675073|1.819586|3.427622|0.054662|0.052799|0.061205|0.088225|0.067504|0.116762|0.215413|0.500000| |1.810774|1.787789|1.970495|2.272278|2.317751|2.033868|2.551998|4.205918|4.234377|3.573595|0.090829|4.969448|5.641906|8.920344|17.725882|8.924307|5.658429|4.014908|3.337674|0.089577|4.864907|3.668418|2.862196|3.710164|0.079790|2.834703|3.594116|2.246609|2.096716|1.889385|1.803656|1.635150|1.546236|1.594098|1.756203|1.781417|1.943551|2.128156|4.144459|0.046331|0.045459|0.053014|0.071878|0.055869|0.090852|0.124172|0.215506|0.500000| |1.814576|1.826389|2.053726|2.371385|2.343529|2.020735|2.780467|4.743330|4.595134|4.198618|0.104525|5.628027|4.928297|5.641212|8.938277|17.709095|8.855746|6.549881|4.469167|0.117274|6.337974|6.371283|4.380258|5.597963|0.125176|4.129980|5.589594|3.124177|2.821671|2.428290|2.270305|1.991043|1.855838|1.931231|2.195112|2.230220|2.507316|2.872861|5.824263|0.046051|0.046503|0.056141|0.072067|0.054547|0.092555|0.107089|0.124269|0.216170|0.500000| |2.825785|3.165882|4.083104|4.685461|3.748297|3.002749|7.084433|17.945039|8.855828|7.554776|0.211162|4.875895|3.718385|3.026965|2.940225|3.419106|4.538465|5.860366|9.931579|0.221753|35.360894|4.647279|4.680384|5.778613|0.099268|5.073033|5.207962|3.652980|3.041320|2.901357|3.197343|2.818061|2.378156|2.249194|2.430012|2.193401|2.251724|2.612155|4.600796|0.067870|0.079448|0.122682|0.103633|0.073739|0.135302|0.098857|0.073157|0.070383|0.086702|0.500000| |2.113554|2.143549|2.458788|2.895281|2.820827|2.371497|3.496692|6.103024|5.579921|4.876896|0.112096|5.063615|3.903190|3.651181|4.145131|5.593151|6.692955|8.777750|6.968872|0.227749|9.492134|17.577331|8.945486|7.610081|0.146555|4.857811|5.521187|4.139544|3.247036|2.726622|2.648195|2.250548|2.007618|2.034352|2.324840|2.264076|2.521727|3.061712|6.180286|0.052896|0.053994|0.067120|0.087181|0.063104|0.105451|0.092360|0.084973|0.100057|0.158285|0.122976|0.500000| |1.834261|1.870831|2.124880|2.436237|2.355375|2.022575|2.910676|5.170429|4.606717|4.202788|0.103580|4.678108|3.720500|3.686777|4.524818|6.651762|6.892543|8.793666|5.453031|0.147613|8.042204|17.519416|8.915322|9.533360|0.215379|5.770924|6.846128|4.666246|3.791302|3.049788|2.820802|2.368277|2.148788|2.234607|2.620289|2.622717|3.025277|3.751429|8.017838|0.046394|0.047781|0.058796|0.071447|0.054005|0.088109|0.086537|0.085608|0.111993|0.225539|0.103658|0.304317|0.500000| |2.040808|2.148421|2.500019|2.808605|2.578680|2.198658|3.457645|6.692117|4.973288|4.328429|0.110010|3.843419|3.016127|2.733428|2.937819|3.678584|4.483362|6.798962|6.656864|0.185131|13.314598|8.773559|17.640790|12.426471|0.182112|7.057045|5.864129|7.035298|4.593251|3.786590|3.833199|3.064769|2.588581|2.567194|2.984142|2.755687|3.010504|3.846053|7.235828|0.051106|0.055146|0.071129|0.075266|0.057168|0.088841|0.075421|0.065858|0.072675|0.103494|0.159205|0.210899|0.173489|0.500000| |1.774697|1.832029|2.073016|2.312593|2.199404|1.918230|2.720734|5.052616|3.990531|3.398243|0.086502|3.312176|2.718425|2.591867|2.901738|3.653012|4.044335|5.466867|4.612191|0.131874|8.117073|8.808835|17.619962|12.412007|0.225385|5.617506|4.898327|7.246801|4.793470|3.658259|3.418458|2.753005|2.419710|2.489199|2.969285|2.881806|3.318265|4.388063|9.269185|0.045092|0.047313|0.058166|0.064969|0.050892|0.074605|0.067281|0.063022|0.073975|0.110119|0.105510|0.214741|0.215091|0.300277|0.500000| |1.961585|2.118457|2.498250|2.727198|2.412576|2.065729|3.445992|7.032288|4.895107|4.584480|0.133323|3.940664|3.093462|2.758898|2.907495|3.575804|4.419685|6.521972|6.194612|0.137857|15.065014|5.664818|6.973438|12.450426|0.181799|17.720830|8.816323|7.098346|5.614165|5.070137|5.387068|4.144958|3.370650|3.283955|3.823148|3.333486|3.472236|4.333794|7.237619|0.049114|0.055118|0.073628|0.068581|0.053038|0.085865|0.078199|0.066612|0.071528|0.098191|0.176616|0.126057|0.132441|0.210938|0.143739|0.500000| |1.701422|1.812925|2.086700|2.259660|2.052298|1.790234|2.744758|5.347533|3.990497|3.690939|0.108118|3.511379|2.881810|2.690697|2.927026|3.595669|4.098158|5.419095|4.452893|0.103572|8.855301|4.930671|5.627026|12.412500|0.226155|17.648653|8.821759|7.073768|7.147200|6.156439|5.507361|4.234727|3.685842|3.846216|4.770067|4.292386|4.580610|5.781936|9.148333|0.043131|0.047530|0.060831|0.058715|0.046606|0.072909|0.072110|0.065484|0.073670|0.103106|0.114750|0.107891|0.131058|0.143904|0.127116|0.300452|0.500000| |1.811364|1.890376|2.176405|2.448132|2.281083|1.957421|3.003907|5.502376|4.735397|4.711909|0.130893|5.196874|4.081258|3.921097|4.598264|6.410284|7.214148|8.859463|5.455545|0.123724|8.711592|6.804818|5.648496|9.181768|0.200918|8.889724|17.522991|4.535749|4.168444|3.542414|3.266215|2.761271|2.521752|2.631152|3.078003|3.031440|3.379203|4.027623|7.609118|0.045692|0.048711|0.061713|0.067265|0.051430|0.088492|0.095189|0.090538|0.110846|0.186434|0.111912|0.139509|0.199502|0.133019|0.126194|0.174088|0.219434|0.500000| |2.042630|2.179038|2.577964|2.899587|2.596119|2.189436|3.735565|7.092793|5.847667|6.325204|0.199991|6.010406|4.470861|3.889336|4.085445|5.160662|6.839943|8.734934|6.914195|0.139455|11.855964|5.530055|4.935994|7.597114|0.142961|9.003112|17.587784|4.129509|3.761824|3.452870|3.429201|2.956074|2.628455|2.633622|2.963315|2.774510|2.923729|3.392060|5.997723|0.050900|0.055992|0.074532|0.075155|0.056399|0.104056|0.107963|0.090202|0.095868|0.131769|0.151282|0.123133|0.139311|0.131985|0.108204|0.217909|0.212102|0.304665|0.500000| |1.702555|1.815319|2.071281|2.212980|2.016354|1.778605|2.620413|5.205954|3.621179|3.076906|0.085086|2.793094|2.326992|2.161371|2.310837|2.764300|3.141952|4.176431|3.964603|0.102768|8.532863|4.601448|6.980342|12.429386|0.183108|7.082010|4.647075|17.702370|8.773113|6.969466|7.163854|4.799815|3.777319|3.737648|4.611825|3.913696|4.149963|5.647892|9.035190|0.043332|0.047841|0.060397|0.057256|0.046341|0.066013|0.059611|0.053537|0.058975|0.079443|0.113860|0.109995|0.114146|0.210946|0.175758|0.218557|0.176051|0.113171|0.112416|0.500000| |1.562916|1.636066|1.836715|1.980301|1.853671|1.648559|2.296206|4.391549|3.249670|2.737034|0.073781|2.616330|2.216693|2.119832|2.327212|2.801556|3.040513|3.900525|3.461360|0.093136|6.711619|4.792636|7.413728|12.474697|0.224725|5.611459|4.160259|17.637091|8.922256|5.731750|4.920841|3.661057|3.170727|3.339546|4.259406|4.028202|4.724778|7.100664|13.299099|0.040068|0.043017|0.052574|0.053397|0.043561|0.060688|0.056164|0.052659|0.060438|0.083695|0.090422|0.115352|0.127860|0.182810|0.234997|0.146390|0.144019|0.109340|0.097155|0.302903|0.500000| |1.641829|1.779806|2.026379|2.100889|1.882641|1.680504|2.459598|5.005738|3.299240|2.753514|0.079683|2.458180|2.098392|1.936322|2.020991|2.336773|2.640689|3.303507|3.293555|0.083538|7.297305|3.298646|4.193258|7.086171|0.120274|5.435845|3.835609|6.948897|6.857138|8.760559|17.757062|9.095742|5.643934|4.943905|5.589270|4.131562|3.883076|4.612338|6.751321|0.041956|0.047633|0.060413|0.052395|0.043487|0.060136|0.054938|0.048653|0.051818|0.065766|0.104348|0.081214|0.083889|0.126947|0.105900|0.180209|0.156325|0.094415|0.101958|0.262251|0.148772|0.500000| |1.496178|1.634681|1.830373|1.840878|1.648631|1.501645|2.089566|4.231196|2.750158|2.223871|0.065696|2.002518|1.770150|1.641915|1.683358|1.880327|2.080675|2.440346|2.479750|0.063501|5.271326|2.367798|2.758784|4.363984|0.080241|3.468017|2.787950|3.775224|4.120386|5.612973|9.033622|17.724377|8.842880|5.671622|4.942449|3.613375|3.127453|3.285498|4.875454|0.038637|0.044591|0.055211|0.045201|0.038868|0.050879|0.047319|0.042036|0.043654|0.052386|0.079951|0.060064|0.061724|0.081628|0.071554|0.108302|0.103643|0.071108|0.078196|0.120053|0.090752|0.220572|0.500000| |1.271762|1.370985|1.509259|1.521587|1.388548|1.278768|1.697858|3.334209|2.277290|1.838889|0.054135|1.716124|1.551946|1.470687|1.518323|1.672098|1.794489|2.033666|1.996932|0.051436|4.023359|1.987654|2.242604|3.572397|0.069295|2.786284|2.339831|3.015729|3.575056|4.889267|5.638121|8.824526|17.737342|8.996604|5.611942|4.160146|3.291071|3.131799|4.564744|0.033156|0.037503|0.044889|0.038299|0.033452|0.042949|0.041473|0.038063|0.039999|0.047104|0.060633|0.050502|0.053511|0.063615|0.059404|0.080868|0.086535|0.062389|0.065611|0.087741|0.075009|0.124622|0.213790|0.500000| |1.184836|1.259840|1.382362|1.416471|1.311646|1.205710|1.582712|3.047748|2.172697|1.777193|0.051706|1.707610|1.550401|1.497710|1.575901|1.743036|1.827624|2.055578|1.938446|0.050007|3.785290|2.048320|2.299480|3.769749|0.076333|2.848626|2.399768|3.188549|4.143100|5.576876|4.939957|5.643948|9.002449|17.716440|8.852970|7.135897|4.736493|3.967066|5.510468|0.030929|0.034183|0.040512|0.036630|0.031804|0.041353|0.040928|0.038751|0.041984|0.050072|0.055816|0.051494|0.056685|0.062855|0.061834|0.078076|0.091455|0.066363|0.065783|0.086544|0.080342|0.107369|0.124287|0.215905|0.500000| |1.162016|1.221277|1.339056|1.394057|1.307147|1.196999|1.562198|2.960576|2.189004|1.811064|0.051858|1.787070|1.622269|1.596061|1.718357|1.919143|1.965273|2.201894|1.995473|0.051708|3.784685|2.255845|2.522650|4.232074|0.090570|3.042803|2.583361|3.544024|4.920048|5.583670|4.162698|3.961875|4.732325|7.126982|8.848339|17.723055|9.039744|5.664296|7.510278|0.030316|0.032854|0.038752|0.036958|0.031792|0.041957|0.042217|0.041154|0.046269|0.056510|0.054723|0.056105|0.064400|0.066296|0.069131|0.078927|0.098761|0.074223|0.068551|0.089264|0.091606|0.095641|0.090222|0.112173|0.218030|0.500000| |1.197639|1.245712|1.367565|1.447507|1.372886|1.249816|1.629355|3.044306|2.328211|1.946740|0.054576|1.969731|1.778366|1.779395|1.970297|2.241448|2.239869|2.513002|2.182491|0.057034|4.015983|2.689932|2.999941|5.098758|0.118236|3.387949|2.919765|4.129724|5.612587|4.890174|3.583459|3.128156|3.289619|4.155741|5.601497|8.977772|17.708036|8.826717|12.774772|0.031178|0.033202|0.039121|0.039329|0.033387|0.044864|0.045505|0.045532|0.053530|0.068242|0.056937|0.066103|0.079955|0.075116|0.084575|0.083423|0.107313|0.087172|0.074082|0.096068|0.112039|0.088690|0.074019|0.079028|0.112224|0.216424|0.500000| |1.304282|1.346743|1.485152|1.598135|1.527777|1.378449|1.812918|3.356108|2.631089|2.220288|0.060617|2.278674|2.022407|2.035903|2.313651|2.721395|2.691016|3.085182|2.573335|0.068236|4.616972|3.567548|4.058000|6.853043|0.176743|3.989138|3.461582|5.268459|6.082167|4.396076|3.389083|2.820054|2.751686|3.182679|4.153779|5.012132|7.748406|9.901563|35.691489|0.033803|0.035554|0.042095|0.044320|0.036935|0.050707|0.050870|0.051362|0.062710|0.085876|0.064041|0.086334|0.110947|0.095266|0.120672|0.094680|0.117638|0.104787|0.082968|0.113162|0.156301|0.089962|0.068704|0.066518|0.082185|0.117147|0.230327|0.500000| 1523.659528 -10893.451999 4375.872442 -210.205560 -5204.125589 3678.799258 -1525.326332 2.001094 40DD880000000034 453266B3886EBBAE 44B2792CB523DF8E 4302B868C18D4FFE 37BA22391F5F0C00 4531FC743BA48591