Version2.1 2021-01-26T20:41:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc(o1)C(=O)N(C[C@H]2CCCO2)CC3CC[NH+](CC3)C4Cc5ccccc5C4 C39516152 RHF 6-31G(d) (6D,7F) COc1ccc(o1)C(=O)N(C[C@H]2CCCO2)CC3CC[NH+](CC3)C4Cc5ccccc5C4 C01[X(C26H35N2O4)] 195 C1 550 COc1ccc(o1)C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](CC1)C1Cc2c(C1)cccc2 COc1ccc(o1)C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](CC1)C1Cc2c(C1)cccc2 COc1oc(cc1)C(=O)N(CC2CC[NH+](CC2)C3Cc4ccccc4C3)C[C@H]5CCCO5 InChIKey=WJWNHDLONXGARM-HSZRJFAPSA-O InChI=1S/C26H34N2O4/c1-30-25-9-8-24(32-25)26(29)28(18-23-7-4-14-31-23)17-19-10-12-27(13-11-19)22-15-20-5-2-3-6-21(20)16-22/h2-3,5-6,8-9,19,22-23H,4,7,10-18H2,1H3/p+1/t23-/m1/s1 InChI=1/C26H34N2O4/c1-30-25-9-8-24(32-25)26(29)28(18-23-7-4-14-31-23)17-19-10-12-27(13-11-19)22-15-20-5-2-3-6-21(20)16-22/h2-3,5-6,8-9,19,22-23H,4,7,10-18H2,1H3/p+1/t23-/m1/s1/fC26H35N2O4/h27H/q+1 COc1ccc(o1)C(=O)N(C[C@H]2CCCO2)CC3CC[NH+](CC3)C4Cc5ccccc5C4 C01[X(C26H35N2O4)] 195 C01 550 COc1ccc(o1)C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](CC1)C1Cc2c(C1)cccc2 COC1=[CH][CH]=C(O1)C(=O)N(C[C@H]1CCCO1)C[C@@H]1CC[N@H](CC1)[C@@H]1C[C]2[C]([CH][CH][CH][CH]2)C1 COc1oc(cc1)C(=O)N(CC2CC[NH](CC2)C3C[C]4[CH][CH][CH][CH][C]4C3)C[C@H]5CCCO5 InChIKey=YNWAPVOMGDIUDK-HSZRJFAPSA-N InChI=1S/C26H35N2O4/c1-30-25-9-8-24(32-25)26(29)28(18-23-7-4-14-31-23)17-19-10-12-27(13-11-19)22-15-20-5-2-3-6-21(20)16-22/h2-3,5-6,8-9,19,22-23,27H,4,7,10-18H2,1H3/t23-/m1/s1 InChI=1/C26H35N2O4/c1-30-25-9-8-24(32-25)26(29)28(18-23-7-4-14-31-23)17-19-10-12-27(13-11-19)22-15-20-5-2-3-6-21(20)16-22/h2-3,5-6,8-9,19,22-23,27H,4,7,10-18H2,1H3/t23-/m1/s1 3261.8751446927 -1413.0893028 1-A 21584.6671 118 432 550 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72279 -20.70056 -20.61484 -20.59583 -15.83678 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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| 13.2199 19.1745 21.9230 37.1631 43.9079 45.8541 57.0806 66.9595 79.6558 85.4854 91.2293 96.4443 114.6926 138.9493 155.6512 184.0318 200.1902 208.8236 213.8271 218.2366 237.6010 247.7483 267.5671 283.5238 305.1736 333.6112 338.9340 362.8839 375.8261 383.3820 411.7878 421.8653 450.6578 465.6830 473.1721 481.3077 497.7426 509.8120 527.8377 552.4689 579.6660 618.2132 628.0557 639.5005 641.4521 659.0093 688.3032 716.3536 733.6412 756.7870 776.5832 784.9639 794.5917 827.2968 837.1743 850.3302 866.4955 874.5520 877.6366 889.0150 914.9605 921.6913 935.5618 939.4417 965.7583 973.4088 981.2150 993.6147 996.7253 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3246.7775 3248.9421 3252.9421 3263.1116 3269.1977 3269.4432 3270.5479 3275.1631 3278.2611 3292.5981 3292.6128 3299.5508 3307.6157 3310.5587 3350.5013 3352.0884 3353.6818 3355.5546 3366.7974 3371.0045 3373.0176 3385.2723 3399.1471 3462.6819 3474.9386 3679.9687 5.3299 4.3408 4.2472 4.0048 4.5245 4.3435 3.7989 3.6468 3.8265 4.3255 3.6083 3.9227 4.8520 3.8622 6.1288 4.7234 3.0661 2.8817 2.4103 1.2168 2.4622 2.6443 2.7727 2.9285 3.7917 3.3775 3.5237 4.8467 4.6629 3.0310 2.3131 3.1960 4.5430 2.0451 2.4636 2.5769 2.9839 3.2184 3.3493 3.1357 2.6068 4.6008 3.3047 5.7770 3.9357 2.1239 4.2627 3.2167 5.0222 3.7885 4.4788 3.1769 5.8659 3.0195 6.1449 1.3724 2.1800 1.6061 1.4411 3.0625 2.4700 4.6849 3.0935 1.7189 2.2112 2.9673 1.4398 2.2502 1.9963 1.5437 1.9235 1.4485 2.3813 1.8275 1.8550 1.9351 1.4185 2.8538 3.1057 2.9438 1.6900 1.9917 2.1998 1.9472 1.3456 2.8829 2.1194 2.1323 3.0620 3.2257 3.5606 2.1098 1.7369 1.9636 2.2049 2.0999 1.5149 2.3954 1.4827 2.3309 1.2619 1.8201 1.9014 1.3792 1.5193 2.0400 1.5615 1.5892 1.7523 1.8257 1.2735 1.3595 1.2064 1.6806 2.5570 1.5883 1.2274 1.3178 1.7970 1.2976 1.4484 1.4669 1.4513 1.3342 1.3255 1.3293 1.3325 1.2748 1.3527 1.4525 3.8747 1.4876 1.4483 1.3806 1.4378 1.5313 1.2740 1.3461 1.8793 1.2861 1.1267 1.5314 1.0955 1.4033 1.0929 1.0920 1.0457 1.0982 1.1216 1.1068 1.0524 2.1912 1.1455 1.1003 1.1057 5.6533 6.1880 5.9493 6.5070 11.3127 1.0728 1.0731 1.0834 1.0760 1.0758 1.0729 1.0694 1.0679 1.0328 1.0649 1.0664 1.0772 1.0884 1.0863 1.1032 1.0760 1.0894 1.0750 1.1001 1.0925 1.1005 1.1033 1.1092 1.1039 1.1055 1.0919 1.1056 1.0891 1.0918 1.0912 1.0946 1.0982 1.0966 1.1022 1.0778 0.0005 0.0009 0.0012 0.0033 0.0051 0.0054 0.0073 0.0096 0.0143 0.0186 0.0177 0.0215 0.0376 0.0439 0.0875 0.0943 0.0724 0.0740 0.0649 0.0341 0.0819 0.0956 0.1170 0.1387 0.2081 0.2215 0.2385 0.3760 0.3880 0.2625 0.2311 0.3351 0.5436 0.2613 0.3250 0.3517 0.4356 0.4928 0.5498 0.5639 0.5161 1.0360 0.7680 1.3920 0.9541 0.5434 1.1899 0.9725 1.5926 1.2784 1.5914 1.1533 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8.5998 0.2093 0.5780 0.0495 0.7665 0.7978 1.7917 0.6269 4.8972 8.4166 3.2290 2.2676 2.1135 1.7082 1.0733 4.1830 1.5114 0.3113 2.5283 0.0060 1.0173 2.7389 2.2958 2.9470 2.8751 2.3866 2.4821 1.1446 5.8553 6.4120 1.5034 5.9969 2.8431 18.6525 1.4796 6.7971 10.0598 0.3361 1.2074 1.1058 0.0246 2.2814 7.4479 8.9746 0.3076 2.9324 6.1827 5.4998 7.2818 22.3877 3.5354 9.1892 0.0351 9.9287 8.5713 47.3837 46.7998 6.2428 7.1534 58.7297 10.1820 7.5737 0.0201 18.6645 2.8154 5.1407 19.0631 1.3653 6.9009 1.5532 5.5860 27.4648 2.5101 21.1771 23.4985 21.0647 24.3421 3.3149 34.5985 17.4620 12.7420 133.7045 24.6597 9.7670 9.1984 0.0038 15.5420 24.1230 39.4606 0.9077 108.3901 60.3002 0.9765 12.5984 1.8392 83.6470 64.7044 16.8754 61.5107 11.8159 0.9666 3.8298 10.6286 20.7789 10.4732 20.0332 0.1705 0.8841 0.1793 6.2591 6.5485 12.6935 1.1925 7.9863 109.0623 103.9696 27.6531 11.2284 37.9052 39.2278 26.9946 12.9917 9.8047 2.1948 1.2624 22.3126 2.9162 10.7348 27.9730 2.9164 29.2897 92.5342 20.4674 22.1018 5.9732 25.8433 25.3042 22.1205 132.5843 180.4789 131.9094 2.7419 2.4298 3.5583 4.6987 4.1552 14.1510 6.6456 9.0347 2.3632 15.4780 12.9912 32.5520 8.8100 4.0835 6.6252 651.6660 1.0930 0.4128 150.7690 354.8863 16.1009 53.9732 7.4662 6.1459 37.5140 93.1901 43.5062 86.8290 29.6798 5.9275 17.7462 29.5837 16.3068 2.7351 23.8167 4.8489 9.9040 17.1864 29.3568 23.2507 9.9652 53.5567 27.8764 6.8130 7.4499 5.6118 23.4293 5.6517 0.4543 6.2154 15.3745 16.5722 2.4168 3.1387 26.2233 1.5084 2.2740 2.4340 3.4758 2.7951 1.2607 1.0868 0.6229 0.8129 1.5614 0.2814 0.3984 0.5470 0.9299 0.5986 1.2707 1.1324 1.0805 1.4716 0.4676 0.2431 0.4732 1.7914 3.7147 0.8383 0.4590 0.2148 1.4200 1.0851 1.4488 0.8421 1.0414 1.1210 1.0814 2.2739 0.7397 0.0474 2.5912 3.6186 0.5467 2.3356 3.3200 5.9918 4.3946 0.2156 2.1244 2.6537 0.6893 4.5309 1.0344 2.0222 0.0936 2.6942 0.7174 2.6326 9.0328 26.9172 5.8438 1.9297 7.7005 5.9130 0.0892 11.4244 0.3220 5.0115 3.6211 1.9474 4.2389 3.6908 1.1280 2.2959 5.6311 1.8862 1.1427 0.9140 1.6429 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12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 8085.6852 32014.5039 37678.2450 0.99998 -0.00705 -0.00023 0.00705 0.99997 0.00284 0.00021 -0.00284 1.00000 1 0.01071 0.00271 0.00230 0.22320 0.05637 0.04790 19.02 27.59 31.54 53.47 63.17 65.97 82.13 96.34 114.61 122.99 131.26 138.76 165.02 199.92 223.95 264.78 288.03 300.45 307.65 313.99 341.85 356.45 384.97 407.93 439.08 479.99 487.65 522.11 540.73 551.60 592.47 606.97 648.40 670.01 680.79 692.49 716.14 733.51 759.44 794.88 834.01 889.47 903.63 920.10 922.91 948.17 990.31 1030.67 1055.55 1088.85 1117.33 1129.39 1143.24 1190.30 1204.51 1223.44 1246.69 1258.29 1262.72 1279.09 1316.42 1326.11 1346.06 1351.65 1389.51 1400.52 1411.75 1429.59 1434.07 1466.57 1481.03 1486.13 1489.27 1508.52 1515.99 1522.86 1549.50 1550.81 1565.09 1575.56 1610.47 1616.85 1618.38 1624.51 1634.61 1640.20 1645.25 1646.51 1690.04 1717.89 1727.68 1752.91 1753.28 1758.40 1774.11 1778.43 1830.14 1831.58 1841.83 1852.47 1865.32 1871.09 1888.81 1904.93 1914.34 1919.77 1927.49 1931.68 1935.83 1964.35 1980.96 1987.21 1992.04 2009.86 2036.33 2048.00 2054.30 2084.32 2093.12 2096.03 2112.31 2115.88 2118.71 2128.32 2138.96 2151.10 2165.19 2170.93 2191.83 2213.47 2233.24 2237.65 2240.32 2248.61 2256.76 2262.13 2264.30 2291.39 2301.67 2325.71 2344.10 2346.49 2353.45 2354.93 2360.74 2362.18 2364.89 2366.92 2372.03 2378.79 2381.68 2386.13 2388.09 2403.56 2423.71 2500.12 2577.47 2607.66 2615.97 2741.62 4569.61 4572.98 4585.22 4609.02 4613.08 4632.96 4635.49 4653.51 4654.21 4671.39 4674.50 4680.26 4694.89 4703.65 4704.00 4705.59 4712.23 4716.69 4737.31 4737.34 4747.32 4758.92 4763.16 4820.62 4822.91 4825.20 4827.89 4844.07 4850.12 4853.02 4870.65 4890.61 4982.03 4999.66 5294.65 0.630574 0.657932 0.658877 0.568524 -1412.458729 -1412.431370 -1412.430426 -1412.520778 3.030421D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2021 DUDE COc1ccc(o1)C(=O)N(C[C@H]2CCCO2)CC3CC[NH+](CC3)C4Cc5ccccc5C4 C39516152 RHF 6-31G(d) (6D,10F) C1 439.259683 |X|Y|Z| 129.474963 62.903516 29.392872 62.091799 29 6 7 8 25 2 2 |36.858105| |13.467567|73.516695| |8.198661|25.680339|36.858105| |6.541802|13.761847|14.133397|36.858105| |4.470044|9.634307|8.653761|13.288528|36.858105| |4.238743|10.007829|8.767002|8.520878|14.207160|36.858105| |5.435446|15.331132|14.373761|8.596405|8.615636|13.849088|73.516695| |3.221819|7.196967|5.299741|5.168597|7.528310|12.867834|13.459687|36.858105| |2.825322|5.998617|4.294172|4.525926|6.693204|8.328484|9.566852|15.843961|73.516695| |2.947414|6.613861|4.478952|4.060992|5.089735|7.660639|11.413207|13.875496|15.018646|53.358707| |2.407358|5.154278|3.350733|3.164238|3.871180|5.033130|7.676521|7.958048|12.758190|17.774244|36.858105| |2.173538|4.541099|2.910309|2.807874|3.381100|4.118690|6.353529|5.783065|9.954935|10.284838|12.346686|36.858105| |2.110655|4.404452|2.753506|2.603231|3.025539|3.665062|5.964367|4.767992|7.826406|8.726635|8.815435|17.551510|0.500000| |1.886025|3.839860|2.434384|2.407058|2.868912|3.300218|5.098894|4.378582|8.334777|6.812130|7.472137|12.431111|0.243467|36.858105| |1.912635|3.852193|2.487463|2.544757|3.114354|3.447395|5.112237|4.536418|9.464236|6.254676|5.946677|8.009601|0.161031|12.440770|36.858105| |2.093257|4.237585|2.770760|2.851554|3.533031|3.907877|5.706462|5.045753|9.999483|6.771590|5.690753|8.155054|0.169967|8.024211|12.479334|36.858105| |2.302811|4.790112|3.135506|3.102656|3.826229|4.557602|6.755196|6.206483|10.795396|9.431204|7.849997|13.583849|0.262612|8.129888|8.101265|13.438154|73.516695| |3.110672|7.134168|4.573136|3.887306|4.447937|6.354339|11.652678|7.661117|9.523088|17.850167|7.715120|6.198095|0.174515|4.168349|3.729154|4.205818|10.581940|36.858105| |2.959639|6.725112|3.982323|3.301522|3.549956|4.706672|9.480447|5.227193|7.202874|10.370500|5.947660|4.734646|0.140981|3.517175|3.061453|3.247933|7.495231|12.398761|36.858105| |2.935775|6.526746|3.629873|2.988608|3.061045|3.810678|7.964216|3.912066|5.649251|6.776204|4.173568|3.750667|0.115620|2.920625|2.585789|2.794084|6.258841|7.580968|12.437238|36.858105| |2.645590|5.666235|3.044144|2.545616|2.558415|3.061343|6.329651|3.118021|4.695445|5.150386|3.381332|3.040544|0.092800|2.503691|2.218162|2.327284|4.992670|4.904319|7.504599|12.504938|36.858105| |2.860961|6.159912|3.220392|2.648676|2.612373|3.105984|6.601005|3.080745|4.655808|4.910132|3.170188|2.744729|0.080594|2.307606|2.084218|2.158108|4.529280|4.354906|6.423350|7.619393|12.655410|53.358707| |3.296782|7.207321|3.610622|2.887411|2.771863|3.274324|7.254039|3.119451|4.675299|4.823157|3.018571|2.627830|0.076217|2.205688|2.028971|2.128337|4.447694|4.305013|5.894861|7.156321|9.317963|25.680307|0.500000| |2.869738|6.291188|3.436960|2.842163|2.879293|3.513564|7.338100|3.591526|5.389149|5.845039|3.759740|3.061301|0.087810|2.565645|2.304293|2.340623|4.922543|4.873184|7.533076|6.547127|7.709726|17.199128|0.258958|36.858105| |3.264185|7.576510|4.378905|3.516135|3.672175|4.828553|10.383413|5.006176|7.006317|8.646180|4.945181|3.778526|0.105957|3.013246|2.721064|2.812832|6.108606|7.441108|12.453660|7.641422|6.537455|10.379884|0.199625|12.514376|36.858105| |2.473081|5.074348|2.635056|2.234187|2.189039|2.515184|5.178770|2.498243|3.900679|3.863973|2.598906|2.303212|0.067481|2.002316|1.817052|1.858391|3.804927|3.255260|4.336159|4.943100|7.600177|17.198591|0.258801|7.588298|4.944067|36.858105| |2.352539|4.698758|2.402835|2.055943|1.989331|2.241405|4.596689|2.198026|3.460553|3.342564|2.255757|2.064289|0.060860|1.807709|1.654276|1.709945|3.474024|2.841378|3.568699|4.332890|6.324702|10.180717|0.194707|4.892179|3.778554|12.347948|36.858105| |2.157144|4.192857|2.141343|1.861688|1.791776|1.982318|4.012559|1.936749|3.098947|2.884838|1.969250|1.804070|0.052552|1.610222|1.487511|1.524456|3.045018|2.370708|2.868119|3.264913|4.281795|6.990484|0.138652|3.950998|3.113098|8.036487|12.608389|36.858105| |1.930145|3.674690|1.884745|1.663749|1.599661|1.746093|3.487237|1.706173|2.759553|2.516010|1.734672|1.613723|0.046999|1.456596|1.352436|1.386088|2.741375|2.049366|2.405463|2.722157|3.399682|5.153400|0.103713|3.075725|2.548070|5.129709|7.307207|13.767479|36.858105| |1.797761|3.375030|1.736994|1.549736|1.488095|1.608139|3.183923|1.569670|2.562939|2.288684|1.586771|1.474548|0.042599|1.345161|1.256862|1.280858|2.508348|1.830441|2.113587|2.321219|2.796137|4.275192|0.086529|2.696792|2.264953|4.073744|4.972445|8.000365|13.746575|36.858105| |1.833839|3.440403|1.772264|1.582645|1.518749|1.638993|3.243435|1.597895|2.616154|2.317537|1.605824|1.475797|0.042305|1.350334|1.265205|1.282032|2.503126|1.829453|2.113900|2.263847|2.698232|4.275362|0.086540|2.794794|2.322666|4.073815|4.479111|6.913463|7.901200|13.707769|36.858105| |2.023911|3.851977|1.979562|1.749470|1.679732|1.829010|3.651415|1.782082|2.899314|2.595430|1.786151|1.617019|0.046215|1.469935|1.373664|1.389086|2.727683|2.046562|2.406375|2.546969|3.077706|5.153930|0.103748|3.397871|2.724283|5.129892|5.151929|7.916419|6.800941|7.901020|13.746504|36.858105| |2.220051|4.319692|2.208211|1.919318|1.845820|2.040747|4.133183|1.990306|3.194000|2.943035|2.005878|1.806355|0.052005|1.619086|1.501342|1.526433|3.035740|2.368583|2.868911|3.111402|3.954252|6.991244|0.138695|4.278624|3.267612|8.036955|7.993252|13.765414|7.915961|6.913035|8.000173|13.767392|36.858105| |2.504724|5.034266|2.580825|2.201583|2.128065|2.400230|4.939093|2.344797|3.709399|3.510153|2.357166|2.070335|0.059385|1.830160|1.688575|1.714877|3.449659|2.834807|3.571258|3.776979|4.897152|10.183662|0.194896|6.318312|4.337834|12.348334|7.759385|7.992586|5.151631|4.478927|4.972420|7.307293|12.608507|36.858105| |17.673060|16.899721|5.961132|4.812498|3.618876|3.560814|8.038893|2.841127|4.448901|3.652269|2.228917|2.023146|0.055227|1.763260|1.768126|1.920871|3.764066|2.883888|2.838958|2.900989|2.687221|4.006346|0.095833|2.867948|3.143962|2.587698|2.505416|2.314570|2.074890|1.931930|1.967152|2.166168|2.375618|2.648901|0.500000| |17.599639|16.442845|7.243554|6.566800|4.460804|4.073082|8.783317|3.110427|4.903593|3.841930|2.323965|2.143001|0.057799|1.864302|1.908919|2.118181|4.110766|2.985543|2.766948|2.770349|2.465745|3.523205|0.081587|2.574247|2.935554|2.249380|2.169633|1.985025|1.797275|1.672810|1.690932|1.843574|2.015388|2.241775|0.299352|0.500000| |17.598480|16.441467|7.240223|6.568552|4.465214|4.072704|8.778416|3.120260|4.977963|3.815437|2.320628|2.079822|0.055576|1.829412|1.869510|2.020762|3.894849|2.858083|2.726551|2.639545|2.412477|3.589392|0.082898|2.711002|3.058509|2.315513|2.179186|2.031039|1.823801|1.719703|1.773219|1.960694|2.120484|2.389968|0.299272|0.298500|0.500000| |6.671152|11.554906|8.767307|17.833301|8.463221|5.824737|10.431524|4.065468|6.659256|4.514781|2.702662|2.451789|0.063572|2.151350|2.288981|2.546226|4.806127|3.203237|2.797967|2.595853|2.263377|3.209523|0.071342|2.492880|2.969129|2.034506|1.897601|1.740649|1.571680|1.474709|1.506584|1.652883|1.793524|2.025658|0.134634|0.200213|0.200296|0.500000| |3.690973|7.457288|5.876671|8.466855|17.820048|8.888459|10.447601|6.629632|12.360764|6.156172|3.683877|3.308588|0.080878|2.903228|3.279163|3.712091|6.763840|3.842244|3.098207|2.686398|2.279771|3.143138|0.067144|2.541163|3.152743|1.970376|1.800219|1.635335|1.472373|1.377427|1.405812|1.545212|1.683247|1.919697|0.085352|0.104277|0.104486|0.193395|0.500000| |2.287047|4.878100|3.068346|2.837653|3.323799|4.226028|6.920139|5.890079|9.390553|12.456556|17.533502|8.847461|0.225785|6.355985|4.778557|4.444147|10.237150|7.019300|6.579114|4.464444|3.733201|4.738767|0.089279|4.245142|5.411072|2.852631|2.427801|2.108126|1.843456|1.680402|1.702465|1.903865|2.152007|2.551950|0.059725|0.060740|0.061213|0.068142|0.086998|0.500000| |2.322453|4.896998|3.214085|3.129491|3.907486|4.883959|7.158952|7.791309|15.078583|12.637383|17.700405|8.789856|0.175222|7.312946|6.486731|5.575630|11.650560|5.678074|4.682494|3.458037|2.922570|3.854750|0.075493|3.386026|4.307898|2.378461|2.067055|1.837332|1.627462|1.504554|1.533920|1.705504|1.891368|2.211582|0.059412|0.062192|0.063261|0.074868|0.106698|0.303745|0.500000| |1.750620|3.528749|2.203357|2.173013|2.531885|2.863463|4.538421|3.607503|6.686628|5.580179|5.543492|8.822539|0.225194|17.558693|8.802675|6.820086|11.999725|3.676424|3.188116|2.755683|2.389640|2.956087|0.057553|2.362812|2.707860|1.906746|1.743469|1.554088|1.415898|1.306412|1.303848|1.409339|1.549800|1.732758|0.045797|0.048313|0.046989|0.054543|0.071001|0.141565|0.145039|0.500000| |1.817596|3.692511|2.322711|2.285742|2.698190|3.099578|4.851298|4.077699|7.811874|6.369410|7.189396|8.672012|0.192079|17.567587|8.650970|5.708790|10.367961|3.847781|3.422642|2.808675|2.469503|3.144236|0.060754|2.613878|3.020189|2.023130|1.807231|1.620303|1.463150|1.356711|1.369187|1.495286|1.641596|1.860906|0.047407|0.049467|0.049317|0.056931|0.075609|0.188037|0.213782|0.301827|0.500000| |1.739559|3.450476|2.200370|2.266321|2.714549|2.918871|4.418767|3.637095|7.477076|4.959117|4.485275|5.713703|0.128571|8.683004|17.589310|8.718327|10.375572|3.089862|2.620733|2.272816|1.985952|2.546185|0.050623|2.045962|2.360741|1.655113|1.519721|1.377153|1.261403|1.177368|1.184091|1.278253|1.387904|1.545687|0.044891|0.048421|0.047401|0.057572|0.080086|0.106796|0.134664|0.217964|0.194195|0.500000| |1.985907|4.006146|2.618633|2.710935|3.390283|3.732485|5.391171|5.043584|11.534390|6.567538|6.160185|6.794563|0.137659|8.787879|17.588480|8.842639|11.905861|3.707376|3.062230|2.540493|2.193519|2.861369|0.057028|2.363104|2.812439|1.831730|1.653618|1.494820|1.354766|1.264160|1.280756|1.397036|1.522364|1.721974|0.050681|0.054716|0.054463|0.067479|0.100874|0.134963|0.212299|0.173788|0.216359|0.301379|0.500000| |1.944567|3.883229|2.491625|2.557864|3.061750|3.310892|5.018639|4.008982|7.629738|5.488178|4.497593|6.394162|0.151741|6.627262|8.758875|17.551885|16.590034|3.654932|2.913093|2.598593|2.186189|2.732378|0.055016|2.136634|2.512182|1.746986|1.628065|1.453914|1.331575|1.230367|1.225192|1.318459|1.445435|1.607145|0.049949|0.055089|0.051940|0.064492|0.088915|0.104031|0.119884|0.183186|0.135092|0.219847|0.174797|0.500000| |2.220006|4.470817|2.983375|3.171343|4.057056|4.310513|6.051837|5.406169|11.311008|6.553423|5.032077|6.101603|0.133334|5.777657|8.702197|17.632692|16.620969|4.014888|3.082748|2.664659|2.224364|2.852323|0.058103|2.273308|2.747389|1.805235|1.664201|1.491194|1.356805|1.258074|1.262855|1.368981|1.499146|1.683972|0.055910|0.062881|0.059848|0.078733|0.123268|0.109613|0.142464|0.137837|0.127693|0.191484|0.222381|0.300406|0.500000| |2.757063|6.070730|3.814243|3.378676|3.846059|5.061561|8.891351|6.111769|8.421978|12.481912|7.305352|7.247736|0.227648|4.586260|3.974756|4.648814|12.602897|17.573422|8.879948|6.958154|4.576922|5.225167|0.104036|4.078475|5.477320|2.980099|2.677246|2.234806|1.959483|1.746988|1.728644|1.908523|2.196949|2.566031|0.071684|0.075091|0.070350|0.079564|0.095907|0.184120|0.146262|0.115691|0.112838|0.091450|0.104780|0.115000|0.118037|0.500000| |3.672365|8.788245|5.751212|4.641727|5.146422|7.524986|15.487540|7.395243|9.064661|12.470998|5.677842|4.901348|0.135410|3.537985|3.337439|3.875261|9.233101|17.719123|8.875645|7.085904|4.627350|5.751887|0.122626|4.507087|6.670313|3.167336|2.828953|2.365797|2.051709|1.832602|1.828178|2.039252|2.356353|2.800471|0.093062|0.098547|0.091234|0.103491|0.117759|0.141639|0.128558|0.088237|0.090390|0.078343|0.092817|0.095166|0.107237|0.306365|0.500000| |2.541441|5.561667|3.298771|2.849281|3.105141|3.972906|7.500657|4.650620|6.786373|9.309405|6.433510|5.119068|0.158974|3.840166|3.184650|3.262629|7.487716|8.862464|17.500382|8.933976|6.863271|7.778718|0.136851|6.898651|8.929222|4.168610|3.404818|2.771870|2.342629|2.067141|2.067639|2.344074|2.773077|3.408670|0.068073|0.066515|0.066112|0.068352|0.077612|0.226993|0.137592|0.097108|0.106307|0.075806|0.087648|0.081567|0.083813|0.217171|0.174585|0.500000| |2.634676|5.683591|3.208960|2.732848|2.833036|3.452734|6.870250|3.625816|5.359502|6.258201|4.065894|3.914000|0.126429|3.032071|2.647496|2.895738|6.558562|6.873264|8.769881|17.560670|8.994778|7.589153|0.145281|4.907725|5.524792|4.124920|3.830540|2.946587|2.531501|2.164549|2.085867|2.299534|2.757511|3.208501|0.072127|0.070613|0.066026|0.066726|0.070383|0.119848|0.092562|0.081245|0.079691|0.064926|0.070722|0.076170|0.075430|0.207348|0.174547|0.215233|0.500000| |3.411904|7.775679|4.180040|3.322027|3.292828|4.066129|9.020256|3.911258|5.593707|6.365361|3.755601|3.408069|0.101887|2.685060|2.454248|2.702543|5.967437|7.002172|8.816985|17.506848|8.882299|9.306621|0.209034|5.695663|6.819288|4.586506|4.219224|3.218436|2.702672|2.309695|2.249249|2.519881|3.061280|3.670704|0.094134|0.089386|0.082817|0.079805|0.078757|0.106601|0.088661|0.070286|0.071075|0.060192|0.067364|0.070030|0.073114|0.173468|0.216384|0.174196|0.303871|0.500000| |2.329942|4.901795|2.689795|2.307359|2.358747|2.804116|5.581512|2.948165|4.527873|4.930920|3.411850|3.088659|0.095777|2.580163|2.239111|2.306313|4.923537|4.492221|6.741459|8.774325|17.603942|12.440252|0.182116|7.072640|5.769516|7.030260|5.694176|4.066956|3.286570|2.730918|2.639799|2.993949|3.784090|4.589275|0.065286|0.060715|0.059967|0.057327|0.059293|0.108333|0.081896|0.068915|0.071624|0.055883|0.061227|0.060339|0.060461|0.120151|0.112457|0.201454|0.214251|0.173162|0.500000| |2.559662|5.348884|2.816176|2.374019|2.348304|2.740409|5.653959|2.738136|4.184736|4.373406|2.896236|2.688596|0.082024|2.252961|2.020813|2.135810|4.513329|4.080918|5.479525|8.816898|17.668794|12.344854|0.223282|5.617982|4.904882|7.128538|7.412800|4.668890|3.758261|2.991046|2.797502|3.115085|4.022301|4.638848|0.073410|0.066867|0.064345|0.059464|0.058449|0.086842|0.070561|0.060506|0.061331|0.050801|0.055222|0.056483|0.056949|0.109435|0.111369|0.140381|0.214407|0.215959|0.301566|0.500000| |2.478499|5.289703|2.949589|2.521447|2.603465|3.140097|6.238157|3.340096|5.141452|5.535132|3.805439|3.114262|0.090463|2.650567|2.329463|2.321341|4.861837|4.475942|6.779976|5.798309|7.084304|12.432043|0.182165|17.600171|8.757969|7.012110|4.582800|3.778086|2.990206|2.636548|2.727188|3.281088|4.059093|5.679089|0.068558|0.062792|0.065670|0.062037|0.065135|0.125004|0.095213|0.068152|0.076282|0.057655|0.066045|0.059044|0.061779|0.108476|0.110354|0.203263|0.129937|0.132879|0.215349|0.144807|0.500000| |2.927981|6.313895|3.389691|2.815502|2.802844|3.333978|6.975664|3.319116|5.082638|5.121388|3.313301|2.711001|0.076292|2.329130|2.132317|2.151690|4.422672|4.045081|5.491359|4.904104|5.620964|12.344968|0.223379|17.670323|8.822562|7.132115|4.638963|4.022968|3.115520|2.798044|2.991916|3.759755|4.670750|7.417279|0.081965|0.071731|0.078197|0.069312|0.068859|0.101496|0.085870|0.059531|0.066308|0.053019|0.061402|0.054601|0.058728|0.094970|0.107566|0.140961|0.107970|0.127644|0.144823|0.126578|0.301493|0.500000| |4.003245|9.940282|5.584026|4.163242|4.161879|5.507531|13.593738|5.102290|7.012432|7.958969|4.327318|3.427393|0.094624|2.759650|2.575167|2.718090|5.822296|6.870183|8.817328|6.818214|5.705159|9.334947|0.210538|8.877552|17.561028|4.595355|3.679382|3.067336|2.524277|2.252672|2.312974|2.706671|3.224359|4.227431|0.106250|0.097271|0.102393|0.095779|0.095732|0.123137|0.107648|0.069150|0.075709|0.062402|0.074273|0.067639|0.075401|0.140198|0.199878|0.174154|0.139190|0.199133|0.132711|0.128064|0.172958|0.215341|0.500000| |3.076124|6.988677|4.225755|3.533414|3.829020|5.069974|10.027119|5.589000|7.943889|9.551701|5.602763|3.976734|0.107305|3.222740|2.919117|2.936753|6.282265|6.721528|8.807877|5.532534|4.899198|7.587916|0.145768|8.985105|17.594409|4.120729|3.207443|2.757037|2.299147|2.085722|2.164660|2.531825|2.946722|3.831161|0.080947|0.077057|0.082373|0.082720|0.092574|0.172259|0.141310|0.078663|0.091696|0.069818|0.085791|0.071621|0.079915|0.139618|0.161621|0.215476|0.123311|0.139449|0.129200|0.107923|0.213011|0.214397|0.304819|0.500000| |2.213757|4.515541|2.403048|2.074349|2.067451|2.376750|4.764590|2.419924|3.819682|3.790335|2.627442|2.336212|0.068984|2.050296|1.836256|1.855644|3.792499|3.145815|4.206009|4.622463|7.033549|12.478759|0.182478|7.024571|4.617876|17.607848|8.806624|6.697676|4.700222|3.835139|3.835242|4.700520|6.698154|8.807817|0.063498|0.056527|0.058113|0.052525|0.052245|0.081748|0.066786|0.054470|0.058091|0.046569|0.051264|0.048528|0.049631|0.081259|0.082741|0.119091|0.111246|0.113518|0.215020|0.176507|0.214383|0.176734|0.113601|0.110951|0.500000| |2.155625|4.291523|2.231560|1.932126|1.889778|2.128735|4.294085|2.116713|3.348695|3.248226|2.227471|2.073451|0.061932|1.820307|1.652297|1.708065|3.475300|2.778727|3.468122|4.308544|6.375089|8.547722|0.156629|4.339529|3.480854|8.658459|17.594357|8.745856|6.588544|4.517725|3.922784|4.253795|5.872613|5.636217|0.063122|0.056027|0.055459|0.049585|0.047839|0.066899|0.056345|0.049223|0.050450|0.042287|0.045505|0.045480|0.045836|0.074421|0.075955|0.094184|0.110782|0.113175|0.170257|0.224239|0.118408|0.110308|0.092286|0.082855|0.221022|0.500000| |2.603614|5.199386|2.598714|2.195657|2.093139|2.351012|4.911246|2.261011|3.532632|3.404787|2.253287|2.070644|0.060853|1.798937|1.661438|1.738338|3.539796|2.938407|3.617754|4.549091|6.249348|9.768280|0.217203|4.642849|3.805596|8.723025|17.476452|8.851511|6.206338|4.440071|4.003886|4.496839|6.405948|6.473101|0.078193|0.066612|0.065912|0.056339|0.052220|0.066306|0.057222|0.048131|0.049501|0.042330|0.046111|0.046020|0.047281|0.076662|0.083391|0.092605|0.110732|0.130690|0.143565|0.216320|0.115164|0.122307|0.107223|0.088400|0.174410|0.301881|0.500000| |1.858105|3.527538|1.815213|1.608625|1.549185|1.687859|3.356687|1.652148|2.674399|2.439841|1.687084|1.588314|0.046525|1.433877|1.330373|1.369428|2.708674|2.001516|2.327571|2.679549|3.317766|4.770846|0.096179|2.832079|2.403387|4.491174|6.591226|8.874252|17.712626|8.899145|5.626294|4.914143|5.626933|4.206241|0.055389|0.048546|0.048495|0.042278|0.039702|0.049648|0.043795|0.038942|0.039825|0.034543|0.036820|0.036743|0.037159|0.053777|0.055752|0.063069|0.070545|0.074046|0.089236|0.104954|0.076828|0.077930|0.066116|0.060101|0.116544|0.186386|0.164406|0.500000| |1.660723|3.089003|1.596515|1.436622|1.380320|1.481781|2.911665|1.447482|2.376638|2.100809|1.463833|1.371809|0.039626|1.258864|1.179721|1.202480|2.342081|1.673748|1.905800|2.088325|2.466355|3.669463|0.074477|2.348906|2.016572|3.349301|4.029413|5.673424|8.928565|17.729334|8.917795|5.636478|4.973751|3.576300|0.049498|0.043255|0.044205|0.038172|0.035665|0.042885|0.038650|0.034097|0.035222|0.030827|0.032895|0.032219|0.032818|0.044692|0.046602|0.051932|0.054789|0.057847|0.067240|0.073494|0.064118|0.067166|0.055790|0.051937|0.089094|0.106286|0.103141|0.214941|0.500000| |1.711698|3.178711|1.645585|1.483670|1.424205|1.525004|2.993081|1.487083|2.452765|2.140558|1.490474|1.373583|0.039210|1.266370|1.191963|1.204194|2.334588|1.672412|1.906201|2.015728|2.350016|3.669643|0.074489|2.465377|2.089583|3.349364|3.576418|4.973970|5.636572|8.917897|17.729304|8.928603|5.673363|4.029433|0.050872|0.043977|0.046336|0.039458|0.036811|0.043732|0.039806|0.033992|0.035725|0.031105|0.033571|0.032007|0.033013|0.043995|0.046436|0.051950|0.051942|0.055711|0.064187|0.067155|0.067156|0.073515|0.057919|0.054794|0.089097|0.089409|0.091038|0.124015|0.215742|0.500000| |2.013368|3.818309|1.972737|1.753055|1.684602|1.826855|3.628022|1.779711|2.911475|2.572084|1.773427|1.593884|0.045204|1.456598|1.366709|1.374552|2.685452|1.996904|2.329033|2.402673|2.833822|4.771593|0.096228|3.316392|2.681859|4.491405|4.206479|5.627173|4.914154|5.626216|8.899049|17.712770|8.874498|6.591563|0.059545|0.050693|0.054850|0.046099|0.043148|0.052444|0.047457|0.038631|0.041346|0.035347|0.038830|0.036118|0.037738|0.051429|0.055183|0.063133|0.060116|0.066003|0.076908|0.077925|0.089089|0.105004|0.074138|0.070563|0.116555|0.098713|0.104933|0.106859|0.124013|0.214940|0.500000| |2.873316|5.797198|2.893103|2.426064|2.301918|2.587744|5.455167|2.465723|3.871953|3.629458|2.380769|2.078281|0.059042|1.826542|1.704905|1.744813|3.508025|2.929501|3.621211|3.801691|4.647011|9.771869|0.217529|6.245185|4.559909|8.723184|6.472496|6.404769|4.496195|4.003432|4.439756|6.206008|8.850655|17.477718|0.085567|0.070056|0.075999|0.061968|0.057082|0.070437|0.062277|0.047771|0.051291|0.043239|0.048532|0.045266|0.048014|0.072548|0.082227|0.092734|0.088344|0.106881|0.115279|0.122352|0.143292|0.216252|0.131087|0.110947|0.174431|0.133193|0.173831|0.104919|0.091029|0.103137|0.164409|0.500000| |2.363590|4.747279|2.487753|2.149666|2.104427|2.374535|4.796919|2.353786|3.759323|3.522653|2.401474|2.083952|0.059360|1.859871|1.711749|1.716478|3.434183|2.768367|3.472255|3.481723|4.343745|8.551401|0.156803|6.370657|4.311614|8.659969|5.636662|5.872589|4.253722|3.922661|4.517583|6.588161|8.745748|17.595922|0.068363|0.058831|0.063644|0.054901|0.053080|0.072946|0.063276|0.048696|0.053111|0.043544|0.048784|0.044490|0.046758|0.069374|0.074752|0.094368|0.082942|0.092122|0.118544|0.110300|0.169737|0.224616|0.113276|0.110716|0.221102|0.126737|0.133207|0.098711|0.089407|0.106283|0.186374|0.301921|0.500000| 1411.619278 -9801.615306 3908.966164 -193.934882 -4674.964746 3261.875379 -1413.089367 2.001041 40FACFFFFFFFFFEC 4477B68AC95B2E50 43F99D35C722C2C5 42C7F5E8A1001CFD C0A9500000000000 449E640D69020D92