Version2.1 2021-01-09T03:25:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@H](C(=O)C2=c3ccccc3=[NH+]C2)[NH2+]Cc4ccccc4CN5CCOCC5 C39729511 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@H](C(=O)C2=c3ccccc3=[NH+]C2)[NH2+]Cc4ccccc4CN5CCOCC5 C01[X(C28H31N3O2)] 186 C1 557 O=C(C1=c2ccccc2=[NH+]C1)[C@@H](c1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 O=C(C1=c2ccccc2=[NH+]C1)[C@@H](c1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 O=C([C@H]([NH2+]Cc1ccccc1CN2CCOCC2)c3ccccc3)C4=C5C=CC=CC5=[NH+]C4 InChIKey=AZILRUIWCRNUSJ-HHHXNRCGSA-P InChI=1S/C28H29N3O2/c32-28(25-19-29-26-13-7-6-12-24(25)26)27(21-8-2-1-3-9-21)30-18-22-10-4-5-11-23(22)20-31-14-16-33-17-15-31/h1-13,27,30H,14-20H2/p+2/t27-/m1/s1 InChI=1/C28H29N3O2/c32-28(25-19-29-26-13-7-6-12-24(25)26)27(21-8-2-1-3-9-21)30-18-22-10-4-5-11-23(22)20-31-14-16-33-17-15-31/h1-13,27,30H,14-20H2/p+2/t27-/m1/s1/fC28H31N3O2/h29-30H/q+2 c1ccc(cc1)[C@H](C(=O)C2=c3ccccc3=[NH+]C2)[NH2+]Cc4ccccc4CN5CCOCC5 C01[X(C28H31N3O2)] 186 C01 557 O=C(C1=c2ccccc2=[NH+]C1)[C@@H](c1ccccc1)[NH2+]Cc1ccccc1CN1CCOCC1 O=C([C@@H]([C]1[CH][CH][CH][CH][CH]1)[NH2]C[C]1[CH][CH][CH][CH][C]1CN1CCOCC1)C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C([C@H]([NH2]C[C]1[CH][CH][CH][CH][C]1CN2CCOCC2)[C]3[CH][CH][CH][CH][CH]3)C4=C5C=CC=C[C]5NC4 InChIKey=CMTWXSSZWQKDQI-HHHXNRCGSA-N InChI=1S/C28H31N3O2/c32-28(25-19-29-26-13-7-6-12-24(25)26)27(21-8-2-1-3-9-21)30-18-22-10-4-5-11-23(22)20-31-14-16-33-17-15-31/h1-13,27,29H,14-20,30H2/t27-/m1/s1 InChI=1/C28H31N3O2/c32-28(25-19-29-26-13-7-6-12-24(25)26)27(21-8-2-1-3-9-21)30-18-22-10-4-5-11-23(22)20-31-14-16-33-17-15-31/h1-13,27,29H,14-20,30H2/t27-/m1/s1 3269.4415844555 -1390.9104611 1-A 17933.9499 117 440 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.84092 -20.70086 -15.92670 -15.89456 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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| 7.0243 13.3581 14.9342 27.7163 34.8542 47.6391 51.6870 63.8703 72.1432 75.9866 96.0709 101.8566 117.8594 166.7785 174.2901 190.4558 195.7865 200.7715 244.9168 258.5549 262.6937 270.0887 302.3284 333.5635 344.6564 369.2425 371.5717 394.8268 421.2331 438.8648 441.1792 456.0451 460.6527 485.5432 492.5117 522.1975 522.7267 530.2246 534.8013 573.3610 582.4522 594.2643 618.8447 631.3028 667.6809 673.6331 676.8045 684.0254 688.2720 743.7917 780.7110 784.6145 793.7016 827.8748 830.3992 842.7738 849.4910 865.8163 872.2419 882.2059 887.2666 921.2592 940.0492 946.3194 949.1430 956.3897 967.4446 976.7634 980.0851 1005.8464 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3345.9229 3359.9655 3370.0073 3379.2512 3391.2010 3393.0389 3398.9692 3400.8038 3406.7656 3411.1837 3412.4814 3417.7890 3461.1054 3669.6575 3729.2766 3831.0092 5.5704 5.4267 5.1015 4.2511 6.0921 5.1459 3.5695 3.9148 4.0927 4.1913 5.2368 5.5170 4.2271 4.9568 3.9971 3.5396 3.6406 3.0158 3.6519 4.5444 3.7982 2.2288 3.0983 3.0135 4.0691 2.2454 2.8240 4.8564 3.1239 4.7270 3.9856 2.9003 2.0131 4.1652 3.3923 3.8101 3.6212 3.4409 2.9591 3.6404 4.2234 4.0897 4.1391 6.3583 3.6699 6.2199 4.8224 2.1563 1.1899 4.6846 2.2385 5.1637 3.6343 2.2972 4.0196 1.8502 2.1445 1.5165 1.7155 2.4164 2.9653 3.0399 2.0943 1.7299 5.2400 1.4587 1.2455 2.9002 5.0641 1.6388 1.8936 2.6992 2.6698 2.0800 1.5645 1.8641 4.6991 1.8312 2.1256 2.6674 2.6526 1.3787 2.4764 2.3005 2.6295 1.2838 1.3737 2.3575 1.3570 1.4053 1.7391 1.7172 3.3689 2.3259 2.4895 2.5830 2.3793 2.3691 1.9186 1.4883 3.2500 1.6920 2.2751 1.2078 1.1982 2.0467 1.3614 1.5514 1.6733 2.1101 1.6599 1.1138 1.5145 1.3564 1.3662 1.5571 1.7555 1.3507 1.3361 1.1870 1.3288 1.2586 1.7779 1.2690 1.3225 1.3892 1.6903 1.4265 1.4377 1.3725 1.9591 1.5676 1.6893 1.5777 1.2606 2.1016 2.0867 1.0851 1.0958 1.1392 1.1146 1.1683 1.1852 1.9784 1.8496 4.5393 6.3496 5.5209 5.0086 4.5144 4.7851 5.1339 1.0932 5.9624 12.6356 1.0742 1.0646 1.0706 1.0689 1.0713 1.0966 1.1000 1.0617 1.0862 1.0936 1.1042 1.0607 1.0928 1.0948 1.0917 1.0914 1.0919 1.1138 1.0906 1.0915 1.0936 1.0919 1.0952 1.0987 1.0990 1.0953 1.0978 1.0969 1.0563 1.0951 1.0824 0.0002 0.0006 0.0007 0.0019 0.0044 0.0069 0.0056 0.0094 0.0126 0.0143 0.0285 0.0337 0.0346 0.0812 0.0715 0.0756 0.0822 0.0716 0.1291 0.1790 0.1544 0.0958 0.1669 0.1976 0.2848 0.1804 0.2297 0.4460 0.3266 0.5364 0.4571 0.3554 0.2517 0.5786 0.4848 0.6121 0.5830 0.5700 0.4987 0.7051 0.8442 0.8509 0.9339 1.4930 0.9639 1.6630 1.3015 0.5944 0.3321 1.5270 0.8039 1.8729 1.3489 0.9276 1.6331 0.7743 0.9118 0.6698 0.7690 1.1081 1.3754 1.5201 1.0904 0.9128 2.7813 0.7861 0.6868 1.6303 2.8660 0.9769 1.1358 1.6990 1.6989 1.3703 1.0546 1.2792 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0.0338 0.4328 0.0908 5.3077 9.4854 32.4066 8.1905 10.5609 11.1736 13.2290 3.6845 24.0928 10.5331 17.4718 1.1150 3.3781 10.3891 60.8525 2.9980 39.9358 29.0628 14.0911 13.2750 10.8766 36.7046 21.8480 87.1500 68.9074 59.7062 27.8944 4.0792 0.3440 0.2612 3.5261 3.5535 0.1211 55.1950 81.4049 9.0411 21.8699 28.7936 11.2195 14.5531 0.4808 2.4659 3.5740 9.4108 12.5136 36.2444 20.0414 0.2247 1.2193 6.3018 25.0090 0.6864 0.1786 2.3605 0.0400 1.3584 2.0929 0.2087 64.0717 10.2234 0.8906 53.7522 54.2347 24.0954 4.1603 163.0352 69.4808 18.4400 11.8006 4.3268 16.4936 7.4275 11.5300 39.3069 58.6126 3.7520 16.3692 2.7411 9.4673 4.9322 44.6150 89.6241 37.0428 22.6920 58.6291 7.0349 3.8099 8.3909 45.3740 2.7622 8.2600 44.7758 37.5209 108.7732 19.8781 15.2934 52.6334 213.3228 52.1061 16.0359 5.6360 5.5745 18.2717 0.1270 1.1305 5.5075 30.4688 7.3487 3.9431 6.6773 5.2405 153.0832 136.1475 5.5027 8.2870 23.6691 3.7877 10.4932 51.8059 136.5484 105.1358 54.5556 29.2384 23.6535 36.4040 98.8770 39.4894 108.2592 2.7310 5.0110 32.3491 1.8104 20.9018 35.3435 28.4545 5.9515 14.4308 4.2018 7.0510 1.8586 0.1248 4.9155 1.3381 1.5220 5.4264 0.8504 0.8168 4.5466 7.8266 38.7327 71.6043 249.2224 4.5486 3.7379 2.7039 0.3836 5.0757 4.0081 2.0874 8.5425 2.8435 1.0161 0.6269 1.5047 2.3433 3.5799 2.5081 1.7334 3.5431 1.0975 4.0285 1.3813 0.6782 1.4641 2.8742 1.8313 1.7369 0.9577 0.9046 0.6878 0.4045 2.3021 1.2882 0.1541 1.0543 0.0921 1.1588 3.0452 1.2307 1.3477 2.7043 6.8124 3.2047 2.7985 2.3538 20.6710 0.5152 5.3087 2.6078 1.5055 0.3768 2.8426 0.7655 4.5869 11.1934 2.8714 9.1599 3.6726 4.3865 7.0205 3.1612 2.8253 14.9465 3.3309 4.3572 1.9768 5.0522 0.7816 1.4505 2.1568 3.6469 1.4558 0.5916 12.8254 33.2063 6.6238 2.8470 4.7001 21.1405 3.3187 11.2040 8.8410 9.9183 0.4707 20.2718 4.5137 12.9707 4.6254 0.5740 17.4052 0.0503 6.1826 0.8399 0.1377 1.3215 2.4118 3.3726 1.6901 5.0448 13.8830 4.5550 6.4499 3.3112 27.6418 1.5994 10.0401 10.1748 20.0935 4.8715 18.3353 16.7557 27.6166 3.2420 11.0506 3.0479 6.8554 5.8417 10.9312 80.8767 1.3626 1.8736 22.2165 1.8619 6.3150 5.4741 3.9174 10.0830 3.3891 32.4681 14.5275 0.7005 2.0757 5.8875 1.2723 94.3639 2.8166 89.6587 0.5767 0.6985 16.1626 6.1402 1.9003 9.7443 3.9198 9.9403 0.8252 6.7767 416.7654 405.7277 19.4139 8.9571 20.7083 37.0498 44.7846 9.2372 607.4236 48.3415 42.6380 27.9231 32.4460 182.9030 27.0413 45.5500 79.8920 159.2017 26.7409 50.3097 85.0865 65.5402 142.7055 135.1538 28.2635 52.3836 43.1801 31.4899 58.0523 69.3338 77.8341 67.4147 71.0602 237.4676 245.3531 107.0743 248.2083 48.0394 28.3576 14.1508 89.3593 0.7500 0.7498 0.7499 0.7435 0.7493 0.7378 0.7497 0.7419 0.7364 0.7400 0.4955 0.7401 0.7386 0.3194 0.6019 0.7338 0.7063 0.7394 0.7366 0.7453 0.4555 0.4974 0.3755 0.1407 0.4619 0.0421 0.6260 0.5608 0.3503 0.4002 0.3495 0.4680 0.0739 0.6203 0.6034 0.6753 0.4984 0.7495 0.7480 0.4262 0.7382 0.5237 0.5541 0.5224 0.7347 0.7412 0.7498 0.1680 0.5994 0.5625 0.4447 0.1985 0.0564 0.1811 0.7242 0.7367 0.5129 0.7487 0.5810 0.3295 0.0815 0.3273 0.2465 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0.2561 0.5533 0.8065 0.1582 0.5191 0.4350 0.5785 0.4994 0.5927 0.8465 0.7214 0.7718 0.8288 0.8187 0.8545 0.2585 0.2231 0.8495 0.2389 0.2793 0.0816 0.7409 0.5212 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 6 6 6 6 6 6 6 1 6 8 6 6 6 6 6 6 6 7 1 6 7 1 1 6 6 6 6 6 6 6 6 7 6 6 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 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 11167.6388 25322.5958 28667.4208 0.99999 0.00446 0.00167 -0.00447 0.99998 0.00509 -0.00165 -0.00509 0.99999 1 0.00776 0.00342 0.00302 0.16160 0.07127 0.06295 10.11 19.22 21.49 39.88 50.15 68.54 74.37 91.90 103.80 109.33 138.22 146.55 169.57 239.96 250.76 274.02 281.69 288.87 352.38 372.00 377.96 388.60 434.98 479.92 495.88 531.26 534.61 568.07 606.06 631.43 634.76 656.15 662.78 698.59 708.61 751.33 752.09 762.87 769.46 824.94 838.02 855.01 890.38 908.30 960.64 969.21 973.77 984.16 990.27 1070.15 1123.27 1128.89 1141.96 1191.13 1194.76 1212.56 1222.23 1245.72 1254.96 1269.30 1276.58 1325.49 1352.52 1361.54 1365.61 1376.03 1391.94 1405.34 1410.12 1447.19 1451.68 1487.14 1495.26 1521.41 1538.96 1552.75 1564.43 1581.45 1583.32 1610.59 1613.63 1617.00 1625.12 1625.45 1629.27 1638.46 1653.94 1661.02 1670.75 1673.12 1717.95 1732.77 1736.23 1753.09 1756.57 1782.40 1797.23 1804.36 1819.91 1829.20 1843.90 1861.09 1876.76 1881.53 1884.20 1897.73 1898.90 1901.27 1919.50 1921.50 1938.21 1946.17 1961.56 2002.59 2041.95 2057.79 2062.57 2073.63 2099.21 2107.93 2120.13 2150.30 2151.99 2168.40 2189.78 2207.24 2212.08 2222.50 2234.68 2262.19 2269.50 2270.73 2280.56 2290.83 2296.73 2333.83 2336.02 2358.80 2370.76 2377.98 2386.21 2388.59 2397.45 2399.22 2402.61 2436.96 2523.52 2554.70 2562.11 2576.05 2580.50 2596.34 2616.35 2652.10 2871.20 4539.94 4542.53 4554.02 4564.27 4578.82 4598.56 4632.89 4661.84 4701.69 4719.82 4741.52 4744.25 4747.69 4765.40 4807.48 4814.04 4834.24 4848.69 4861.99 4879.18 4881.83 4890.36 4893.00 4901.58 4907.93 4909.80 4917.44 4979.76 5279.82 5365.60 5511.97 0.588773 0.615510 0.616454 0.525783 -1390.321688 -1390.294951 -1390.294007 -1390.384678 3.041120D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE c1ccc(cc1)[C@H](C(=O)C2=c3ccccc3=[NH+]C2)[NH2+]Cc4ccccc4CN5CCOCC5 C39729511 RHF 6-31G(d) (6D,10F) C1 441.241627 |X|Y|Z| 63.948358 47.904542 107.468676 69.049838 32 6 7 8 28 3 1 |36.858105| |13.745492|36.858105| |7.934750|13.740288|36.858105| |6.862735|7.919230|13.702665|36.858105| |7.935278|6.861000|7.910119|13.662206|36.858105| |13.721588|7.922189|6.860543|7.915837|13.765237|36.858105| |4.438246|5.018660|7.559809|12.561956|7.550368|5.018383|36.858105| |3.986680|4.778318|7.313230|8.871398|5.589317|4.186747|17.580644|0.500000| |3.733627|3.934021|5.150125|7.483887|6.311232|4.384854|12.422777|0.246954|36.858105| |3.216368|3.279860|4.053014|5.553730|5.250867|3.825105|8.074474|0.174104|16.007370|73.516695| |3.561591|3.750974|4.668066|5.934333|5.251625|4.033578|7.238436|0.183015|12.687207|14.481258|36.858105| |2.936729|3.009712|3.524995|4.225300|4.026924|3.303544|4.900994|0.127948|7.564888|11.838046|14.140626|36.858105| |2.509331|2.525511|2.892619|3.447595|3.404507|2.844368|4.025841|0.104126|5.929043|11.349357|7.379241|13.108335|36.858105| |2.198052|2.201353|2.454852|2.817488|2.809418|2.445581|3.158642|0.083697|4.208960|7.859677|5.141159|7.963596|14.255454|36.858105| |2.142977|2.155559|2.366661|2.633220|2.609682|2.333668|2.854616|0.077257|3.616367|6.349211|4.642275|6.829174|7.791543|13.041909|36.858105| |2.350214|2.388953|2.622950|2.872821|2.805470|2.523598|3.055186|0.083783|3.810645|6.312711|5.275246|7.550090|6.541847|7.689419|14.110252|36.858105| |2.791170|2.875431|3.251263|3.637915|3.470072|3.022517|3.915066|0.106976|5.112229|7.916024|8.402606|12.955524|7.578815|6.836587|8.101228|13.433122|36.858105| |3.165137|3.346734|3.795940|4.083058|3.763944|3.323700|4.198920|0.117799|5.065545|7.341879|8.307214|8.427388|5.284190|4.681580|5.288049|7.755299|14.639960|53.358707| |3.012256|3.194670|3.499021|3.591383|3.336988|3.068951|3.574462|0.101744|4.054989|6.051909|5.837228|5.901854|4.226003|3.967819|4.671085|6.863315|9.334020|25.925702|0.500000| |3.901454|4.278587|5.239327|5.846577|4.974857|4.129957|6.011831|0.168229|7.103712|9.064572|12.654932|8.165985|5.043776|4.102693|4.149987|5.187303|8.340269|17.913498|0.244525|36.858105| |3.796642|4.115230|5.514730|7.663931|6.027506|4.318296|12.706630|0.254287|7.804219|13.049738|4.934942|3.848522|3.480999|2.798670|2.483493|2.566291|3.112795|4.357810|0.077977|4.113094|53.358707| |3.973830|4.071072|5.133820|7.347905|6.797284|4.767892|9.217564|0.181645|6.880290|12.460968|4.531351|3.642201|3.369030|2.728082|2.409517|2.467645|2.955282|4.094360|0.073665|3.780152|25.673241|0.500000| |3.198316|3.415068|4.375592|5.707531|4.826788|3.618745|9.190937|0.212169|7.720728|15.027232|4.859487|3.954365|3.725348|2.964967|2.571745|2.605801|3.124094|4.241462|0.075501|3.872938|25.671434|0.331656|0.500000| |3.556060|4.011880|5.219869|5.950734|4.693135|3.760302|7.433177|0.199950|4.972270|8.288825|3.713174|3.025435|2.760346|2.316026|2.108746|2.189560|2.588576|3.688990|0.068080|3.374940|16.975076|0.254735|0.253792|36.858105| |2.970501|3.187512|3.797337|4.256215|3.770317|3.173571|4.943697|0.130052|3.892509|7.015764|3.015972|2.583537|2.454931|2.098344|1.897695|1.933740|2.224951|3.101826|0.057805|2.718650|10.469294|0.202742|0.198744|12.655997|36.858105| |3.032195|3.139507|3.545437|3.922389|3.713977|3.256852|4.136172|0.105541|3.366285|6.088889|2.687474|2.333274|2.229249|1.930043|1.756539|1.787718|2.036473|2.841478|0.053419|2.459545|7.908899|0.176539|0.145227|7.672144|13.703714|36.858105| |2.540171|2.581611|2.825171|3.078627|3.006185|2.718952|3.232624|0.083722|2.794434|5.167547|2.299135|2.052301|2.001294|1.760876|1.602765|1.614767|1.807580|2.494897|0.047230|2.107196|5.773761|0.128054|0.113267|5.050407|7.887264|13.761075|36.858105| |2.203160|2.260308|2.493521|2.709224|2.609917|2.347010|2.945141|0.077933|2.621238|4.924568|2.175209|1.971525|1.950736|1.727195|1.565451|1.564205|1.735795|2.373167|0.044942|1.979849|5.195242|0.110431|0.107788|4.453441|6.868610|7.987590|13.782656|36.858105| |2.178362|2.277517|2.575890|2.810582|2.627307|2.313922|3.196101|0.086346|2.844910|5.370718|2.336489|2.113542|2.094281|1.842758|1.661367|1.657818|1.846533|2.516736|0.047429|2.106115|5.751911|0.115959|0.124909|5.024133|7.966684|6.923354|7.937634|13.729558|36.858105| |2.459392|2.626978|3.078184|3.398214|3.052440|2.612337|4.048628|0.110696|3.450104|6.419467|2.745332|2.423514|2.359630|2.039541|1.834673|1.846578|2.092122|2.872603|0.053687|2.455786|7.805656|0.147360|0.171731|7.495517|13.581294|7.870587|6.782754|7.863084|13.729779|36.858105| |2.283214|2.476961|2.944742|3.219613|2.820878|2.403050|4.019081|0.116131|3.540750|6.564451|2.861680|2.549404|2.490607|2.153786|1.934229|1.942826|2.198411|3.001140|0.055950|2.546537|7.177273|0.126216|0.170142|6.283892|7.398532|4.960507|4.399167|5.012803|7.603371|12.509866|36.858105| |2.311451|2.581637|3.097257|3.234631|2.741129|2.365583|3.980440|0.123092|3.385786|5.946828|2.830057|2.492471|2.370577|2.066518|1.894750|1.934948|2.198882|3.062769|0.057630|2.610888|6.527351|0.111387|0.143202|6.132456|6.080876|4.290670|3.714850|3.992066|5.322939|7.612351|13.099590|53.358707| |2.114499|2.360447|2.816053|2.924938|2.488374|2.158239|3.621330|0.115008|3.258680|5.707856|2.831675|2.546649|2.434238|2.143171|1.973957|2.012158|2.268170|3.136823|0.059154|2.621146|5.467856|0.094040|0.122700|4.541130|4.273154|3.276295|2.921767|3.130263|3.967907|5.032288|7.929774|17.746349|36.858105| |2.069544|2.351455|2.776168|2.759951|2.329000|2.061738|3.275756|0.106864|2.914930|4.938252|2.642779|2.375067|2.224563|1.988214|1.876198|1.943420|2.183257|3.081602|0.059093|2.555615|4.650341|0.081094|0.098977|3.899949|3.535156|2.847436|2.541075|2.650271|3.180583|3.855900|5.087032|10.616344|12.524630|36.858105| |1.940161|2.193132|2.523182|2.469137|2.121124|1.914426|2.815989|0.089051|2.489179|4.248597|2.264120|2.047802|1.930399|1.743988|1.654816|1.710868|1.901607|2.690115|0.052128|2.213139|4.066795|0.072889|0.084874|3.523778|3.347166|2.775086|2.528594|2.657725|3.151880|3.673994|4.554746|9.193115|7.935233|13.687594|73.516695| |2.076983|2.353409|2.702279|2.629334|2.256757|2.042457|2.955070|0.092082|2.531581|4.322115|2.255237|2.013783|1.893256|1.698608|1.604921|1.660234|1.856531|2.637579|0.050993|2.200348|4.410689|0.079431|0.090111|4.077674|3.976037|3.274635|2.959239|3.094566|3.674359|4.333432|5.067120|10.615822|6.796963|8.204324|24.237067|36.858105| |2.122497|2.362287|2.736515|2.766172|2.398059|2.135290|3.190299|0.096709|2.734894|4.788753|2.358477|2.105333|2.008008|1.784110|1.657633|1.695236|1.899533|2.660959|0.050837|2.232681|5.077634|0.091377|0.106489|4.836059|5.160570|4.008536|3.643970|3.982941|5.126807|6.310625|7.842937|17.696189|7.967503|6.789772|14.080891|12.533088|36.858105| |17.736448|8.920504|5.646598|4.948159|5.648215|8.914318|3.549955|0.090724|3.100927|4.876096|3.018023|2.576862|2.240766|2.000813|1.969876|2.153082|2.497908|3.823744|0.075786|3.310447|4.282874|0.091569|0.075580|3.013738|2.606913|2.701633|2.322390|2.023204|1.981888|2.197355|2.041002|2.814056|1.902325|1.875168|3.160861|1.900479|1.929441|0.500000| |8.909959|17.737195|8.924468|5.640379|4.947323|5.638431|4.094006|0.113642|3.309250|5.002501|3.227407|2.665611|2.261372|2.005224|1.987174|2.206364|2.606970|4.140994|0.082746|3.736919|4.736252|0.094370|0.082396|3.537486|2.880117|2.840887|2.380333|2.104192|2.119810|2.420396|2.302028|3.321919|2.248786|2.289229|3.846242|2.320551|2.279214|0.214919|0.500000| |5.648080|8.930258|17.695970|8.874421|5.623184|4.943946|6.992829|0.223886|4.776560|6.734371|4.402450|3.370999|2.775139|2.373781|2.302557|2.558109|3.150942|5.037174|0.095848|5.029613|7.138062|0.127994|0.119038|5.349932|3.803311|3.426726|2.745159|2.468402|2.598292|3.145444|3.094883|4.618368|3.110956|3.156194|5.055925|3.036384|2.992479|0.124276|0.215952|0.500000| |5.650229|4.942207|5.616602|8.833153|17.669974|8.954184|6.961031|0.140277|6.826576|11.031610|5.391336|4.286837|3.763591|3.050509|2.752997|2.886915|3.536239|4.972055|0.088635|4.636921|8.278914|0.205414|0.142295|4.440705|3.745538|3.701417|3.055394|2.675574|2.689530|3.090571|2.848420|3.655780|2.449046|2.247518|3.627827|2.158186|2.331241|0.124380|0.107368|0.123370|0.500000| |8.902536|5.639487|4.947106|5.637179|8.932096|17.737586|4.092894|0.096255|3.808121|6.184056|3.559644|3.051521|2.705343|2.362589|2.252630|2.404109|2.809672|4.101056|0.077910|3.565624|5.036720|0.115638|0.089153|3.240278|2.860473|2.997395|2.578164|2.231276|2.171667|2.399164|2.198472|2.909480|1.959964|1.865228|3.099471|1.854367|1.946821|0.214853|0.124029|0.107398|0.216689|0.500000| |2.482814|2.487462|2.866944|3.488356|3.472777|2.852357|4.199637|0.106026|6.286884|13.999793|6.507338|8.692763|17.810766|9.029696|5.553338|4.784520|5.464456|5.826826|0.097925|4.394159|5.190867|0.103658|0.117237|2.954981|2.669400|2.412178|2.170989|2.127786|2.295268|2.585659|2.722944|3.435432|2.566359|2.288999|3.532701|1.961240|2.117315|0.061406|0.061573|0.076147|0.109731|0.075649|0.500000| |1.996341|1.988454|2.197494|2.507326|2.522271|2.218896|2.801602|0.074183|3.611978|6.982145|4.102380|5.630709|9.088333|17.751897|8.749288|5.586775|4.939208|5.042508|0.090284|3.353684|3.497327|0.070208|0.076329|2.153355|1.990687|1.841341|1.701507|1.682522|1.792271|1.958327|2.066137|2.670053|2.035298|1.876069|2.946698|1.614025|1.704562|0.050891|0.050591|0.059129|0.076533|0.060182|0.215952|0.500000| |1.927373|1.931775|2.092456|2.295059|2.287258|2.081298|2.459702|0.066891|3.010309|5.344383|3.679022|4.931746|5.631548|8.754822|17.725820|9.097960|5.708643|5.733789|0.108938|3.395543|2.973972|0.059184|0.062834|1.888533|1.721529|1.604206|1.478077|1.449797|1.533304|1.675788|1.764406|2.353336|1.805188|1.723971|2.726288|1.484210|1.528729|0.049777|0.049948|0.056752|0.066788|0.056316|0.123689|0.215638|0.500000| |2.227065|2.267884|2.445464|2.607711|2.545818|2.346491|2.711220|0.075214|3.230879|5.324901|4.287119|5.443229|4.780537|5.503588|8.948299|17.754476|8.751908|9.272200|0.194328|4.543174|3.126244|0.061435|0.064220|2.002516|1.775799|1.652086|1.498782|1.451310|1.531852|1.696650|1.780807|2.436020|1.863382|1.825321|2.880129|1.569211|1.586794|0.057393|0.059015|0.066660|0.071646|0.062318|0.104693|0.123021|0.216132|0.500000| |4.832580|5.209222|6.130691|6.696780|5.944789|5.091148|5.834346|0.154487|6.253207|8.222501|8.797418|6.212601|4.273902|3.571211|3.615352|4.405337|6.340247|12.420818|0.207502|17.585023|5.485451|0.106205|0.101792|3.348363|2.700685|2.499768|2.132528|1.972843|2.065765|2.391338|2.416397|3.359849|2.422344|2.369396|3.721795|2.115528|2.146103|0.111373|0.122238|0.151509|0.145384|0.118825|0.106844|0.083263|0.084445|0.111136|0.500000| |3.744719|4.363425|5.560184|5.686448|4.479413|3.779361|6.068557|0.192250|6.284303|8.154499|8.762689|6.172839|4.251767|3.554266|3.598980|4.385440|6.306090|12.418320|0.207356|17.555549|5.645940|0.102222|0.108040|3.549977|2.800855|2.492456|2.123641|2.004301|2.153188|2.538661|2.675688|3.846683|2.871048|2.866299|4.355058|2.415454|2.407730|0.088559|0.108925|0.161944|0.112936|0.089645|0.106332|0.082909|0.084115|0.110755|0.300479|0.500000| |3.216158|3.729233|4.888877|5.229790|4.029318|3.305314|6.836456|0.216691|4.754396|7.771043|3.689381|3.020949|2.738907|2.311875|2.120611|2.212353|2.613930|3.745160|0.069372|3.409874|12.306180|0.180541|0.220975|17.671018|8.834927|5.686256|4.201965|3.956425|4.678583|7.022023|7.120197|11.175887|5.823858|4.971078|7.669927|4.992173|5.855506|0.076661|0.094061|0.150592|0.105381|0.079488|0.080545|0.059556|0.052787|0.056378|0.091530|0.103157|0.500000| |4.192368|4.877538|6.382736|6.747845|5.198933|4.288108|6.983480|0.185793|4.558252|7.325840|3.559626|2.880572|2.584299|2.191176|2.027172|2.130216|2.521531|3.667090|0.068430|3.380854|12.365147|0.219840|0.180578|17.662823|8.847657|7.275686|4.775490|3.999705|4.213804|5.602082|4.723883|6.596867|3.790073|3.471410|5.736579|3.761323|4.189017|0.097145|0.118130|0.178021|0.128443|0.099919|0.075476|0.056368|0.050556|0.054608|0.096341|0.098914|0.298536|0.500000| |3.527248|3.601404|3.979974|4.364875|4.229481|3.785885|4.277597|0.106987|3.404517|6.003784|2.743327|2.356652|2.219428|1.922078|1.763415|1.810020|2.072460|2.923667|0.055127|2.551676|7.743692|0.180597|0.133617|7.157990|8.902902|17.681331|8.946945|5.671378|4.975551|5.611347|4.043587|5.037968|2.935770|2.635068|4.557072|2.992913|3.476683|0.086771|0.089392|0.103636|0.114056|0.096029|0.066008|0.050624|0.044667|0.046603|0.073524|0.071431|0.145453|0.222687|0.500000| |2.481446|2.474433|2.633447|2.837535|2.846126|2.649590|2.881217|0.074361|2.527737|4.653186|2.120522|1.907643|1.862525|1.653477|1.513834|1.525424|1.696647|2.344094|0.044632|1.963259|4.914051|0.110650|0.095440|4.123307|5.624806|8.913411|17.739451|8.904987|5.640798|4.906753|3.525073|4.201238|2.513915|2.237937|3.984222|2.593229|3.074198|0.063987|0.063736|0.070308|0.080305|0.070998|0.055788|0.044496|0.038955|0.039511|0.055711|0.054619|0.097046|0.113584|0.215853|0.500000| |1.985506|2.020025|2.193630|2.362418|2.305902|2.107526|2.535610|0.067380|2.307644|4.345670|1.953423|1.795148|1.791150|1.604449|1.458735|1.451197|1.593874|2.170564|0.041317|1.787484|4.301933|0.091578|0.089679|3.559532|4.951069|5.664678|8.922733|17.733454|8.925426|5.622661|4.105783|4.595542|2.758426|2.373346|4.276422|2.758256|3.449873|0.051252|0.052657|0.060275|0.065870|0.056334|0.054118|0.043719|0.037776|0.037550|0.049502|0.050104|0.090132|0.090976|0.124476|0.214253|0.500000| |1.952810|2.040731|2.292883|2.481416|2.325613|2.064578|2.827258|0.077438|2.588035|4.911349|2.168071|1.992882|1.997022|1.775847|1.601763|1.588587|1.751427|2.371609|0.044844|1.957249|4.874002|0.097135|0.107950|4.082524|5.655613|4.978978|5.658491|8.950897|17.726351|8.941580|7.119384|6.856342|3.965059|3.147249|5.599784|3.580957|4.999951|0.049719|0.053194|0.064684|0.066302|0.054155|0.060755|0.048341|0.041300|0.040864|0.052931|0.055652|0.110644|0.096747|0.107924|0.124314|0.216710|0.500000| |2.024760|2.170385|2.521069|2.731856|2.454100|2.128131|3.307589|0.094763|3.039020|5.719108|2.530972|2.313266|2.303467|2.025665|1.819920|1.810344|2.014649|2.724295|0.051122|2.261977|5.619960|0.103331|0.131955|4.654135|5.545116|4.186105|4.005028|4.853777|7.506954|8.938197|17.490669|12.276920|7.037859|4.637004|7.679716|4.644181|7.056261|0.050903|0.056532|0.073135|0.069393|0.054826|0.070016|0.054658|0.046546|0.046280|0.059610|0.065565|0.140916|0.104112|0.095931|0.091131|0.115925|0.235481|0.500000| |2.356655|2.544722|3.071901|3.468807|3.027817|2.520615|4.574354|0.131015|4.184856|7.991804|3.285083|2.924355|2.882345|2.447080|2.160569|2.156235|2.459822|3.314764|0.060970|2.826193|8.240012|0.140335|0.218774|6.255610|6.562438|4.536902|3.955629|4.328052|5.977540|8.857353|17.475458|12.579036|7.501174|4.812185|7.194741|4.231332|5.692365|0.058057|0.064886|0.088907|0.086338|0.063954|0.089033|0.065016|0.054274|0.054259|0.073299|0.081914|0.194196|0.128519|0.106391|0.090114|0.100584|0.156248|0.305408|0.500000| |1.899978|2.087658|2.437157|2.541576|2.220257|1.947224|3.075939|0.094471|2.861390|5.131364|2.521175|2.323164|2.269644|2.027414|1.863495|1.877112|2.079886|2.840432|0.053833|2.324834|4.659370|0.082874|0.105491|3.770499|3.758116|2.983719|2.759711|3.043036|3.883766|4.603499|7.121243|12.249760|17.462986|8.884010|12.535316|5.885189|7.072424|0.047946|0.055442|0.073463|0.061376|0.049731|0.066782|0.054179|0.047780|0.048428|0.059899|0.069637|0.125496|0.089073|0.073816|0.066422|0.076060|0.113421|0.209952|0.183490|0.500000| |2.200589|2.450858|2.970173|3.158976|2.666622|2.272746|4.084245|0.131572|3.788950|6.653460|3.267764|2.935170|2.805484|2.434891|2.218268|2.255842|2.567688|3.516652|0.065438|2.952020|6.024544|0.101420|0.140478|4.634823|4.173709|3.199430|2.819724|2.975312|3.710685|4.741708|7.247014|12.412687|17.518672|8.877926|10.176022|5.046234|5.710848|0.054581|0.064095|0.090660|0.073519|0.057178|0.082508|0.063814|0.055826|0.057396|0.074215|0.089959|0.163470|0.106005|0.080556|0.067707|0.072808|0.101692|0.173577|0.231128|0.301188|0.500000| |1.909742|2.151765|2.508092|2.498744|2.137551|1.904658|2.939993|0.094926|2.711661|4.616160|2.525741|2.317017|2.185924|1.979505|1.880751|1.943459|2.156487|3.023582|0.058322|2.453171|4.073904|0.072130|0.087404|3.267036|2.990454|2.473870|2.242471|2.344274|2.771283|3.251810|4.192204|7.668073|8.851479|17.620803|16.943919|5.891386|5.055235|0.048378|0.058405|0.078464|0.057633|0.048197|0.061998|0.052044|0.048271|0.050934|0.062606|0.076337|0.110782|0.081952|0.064149|0.055551|0.059213|0.077340|0.110849|0.114486|0.217183|0.210780|0.500000| |2.288913|2.658517|3.199902|3.112357|2.556406|2.254989|3.696946|0.125896|3.191166|5.241694|2.909317|2.557631|2.337525|2.072757|1.970807|2.071854|2.363465|3.400247|0.065217|2.872852|5.057759|0.086690|0.104670|4.269720|3.636590|2.928312|2.549839|2.587380|3.039960|3.751965|4.691454|9.501190|8.864105|17.459270|16.575379|7.270002|5.887561|0.057160|0.072115|0.104392|0.067439|0.055968|0.066126|0.053687|0.049947|0.054097|0.073846|0.091780|0.156365|0.107580|0.076743|0.062627|0.063892|0.081342|0.113558|0.126850|0.173841|0.216620|0.300338|0.500000| |1.919199|2.153601|2.414944|2.335782|2.042729|1.878073|2.560867|0.078244|2.224539|3.820443|2.004741|1.808764|1.710615|1.549671|1.471141|1.518701|1.682153|2.386388|0.046467|1.967855|3.801934|0.070116|0.077322|3.448033|3.470202|2.991843|2.784849|2.927076|3.378860|3.766193|4.172693|7.668019|5.062492|5.897562|16.925723|17.633870|8.859563|0.049341|0.059556|0.074417|0.054347|0.047766|0.049121|0.041107|0.038032|0.040098|0.052972|0.059494|0.111259|0.090694|0.076488|0.068921|0.074028|0.092865|0.111075|0.097788|0.132131|0.110581|0.132447|0.147529|0.500000| |2.298425|2.660103|3.080629|2.917726|2.455620|2.227399|3.231469|0.102476|2.684758|4.488284|2.393311|2.103315|1.945495|1.736707|1.649920|1.724191|1.946983|2.805410|0.054335|2.372979|4.735009|0.084501|0.093803|4.514750|4.149453|3.428488|3.000027|3.021470|3.487609|4.211314|4.671048|9.489421|5.888346|7.268252|16.556769|17.483963|8.861514|0.058120|0.073428|0.098567|0.064154|0.055543|0.055617|0.045485|0.042202|0.045334|0.063831|0.073190|0.157042|0.119722|0.089161|0.073402|0.074079|0.091326|0.113637|0.112113|0.134556|0.131696|0.147442|0.216354|0.300622|0.500000| |2.215368|2.453451|2.812748|2.835868|2.481755|2.225704|3.189371|0.094356|2.686881|4.709393|2.296991|2.039514|1.942509|1.723734|1.601360|1.639004|1.838854|2.583810|0.049412|2.179029|5.206239|0.095771|0.106211|5.223030|6.024614|4.766025|4.337581|4.703319|5.933831|7.155387|7.128399|12.388677|5.715491|5.047688|10.175462|8.899341|17.595177|0.056029|0.065689|0.084344|0.066785|0.056421|0.057014|0.045768|0.041036|0.042651|0.059031|0.064681|0.164929|0.128414|0.112341|0.099909|0.110470|0.151517|0.174168|0.143935|0.143417|0.127274|0.110563|0.131799|0.211138|0.216766|0.500000| |1.906217|2.089152|2.382460|2.430022|2.152107|1.929513|2.785485|0.083025|2.470483|4.402111|2.154366|1.958542|1.897276|1.702172|1.578604|1.600344|1.771726|2.456137|0.047041|2.027975|4.399182|0.080953|0.094166|3.945948|4.362250|3.544706|3.389648|3.872391|5.043689|5.596709|7.067179|12.265190|7.096581|5.893370|12.535359|8.885453|17.458854|0.048541|0.056067|0.071307|0.058817|0.049440|0.055755|0.045581|0.040700|0.041674|0.054026|0.060165|0.126003|0.095923|0.085169|0.080377|0.096294|0.148569|0.211089|0.145044|0.209462|0.143646|0.132192|0.134725|0.217122|0.173806|0.301015|0.500000| 1389.434462 -9733.268063 3876.049992 -192.568732 -4660.352341 3269.441820 -1390.910521 2.001062 40B43FFFFFFFFFB7 44B21E688360B73D 4433A77E631F2639 42E38F8E57E78005 B8289181B37E0548 451451BCAA4CFD97