Version2.3 2021-03-31T14:57:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cn1cccc1[C@H](CNC(=O)C(=O)Nc2ccc(c(c2)F)F)[NH+]3CCc4ccccc4C3 C11898432 RHF 6-31G(d) (6D,7F) Cn1cccc1[C@H](CNC(=O)C(=O)Nc2ccc(c(c2)F)F)[NH+]3CCc4ccccc4C3 C01[X(C24H25F2N4O2)] 165 C1 530 O=C(C(=O)NC[C@@H](c1cccn1C)[NH+]1CCc2c(C1)cccc2)Nc1ccc(c(c1)F)F O=C(C(=O)NC[C@@H](c1cccn1C)[NH+]1CCc2c(C1)cccc2)Nc1ccc(c(c1)F)F Cn1cccc1[C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)[NH+]3CCc4ccccc4C3 InChIKey=OHSARHIDGHOVCY-QFIPXVFZSA-O InChI=1S/C24H24F2N4O2/c1-29-11-4-7-21(29)22(30-12-10-16-5-2-3-6-17(16)15-30)14-27-23(31)24(32)28-18-8-9-19(25)20(26)13-18/h2-9,11,13,22H,10,12,14-15H2,1H3,(H,27,31)(H,28,32)/p+1/t22-/m0/s1 InChI=1/C24H24F2N4O2/c1-29-11-4-7-21(29)22(30-12-10-16-5-2-3-6-17(16)15-30)14-27-23(31)24(32)28-18-8-9-19(25)20(26)13-18/h2-9,11,13,22H,10,12,14-15H2,1H3,(H,27,31)(H,28,32)/p+1/t22-/m0/s1/fC24H25F2N4O2/h27-28,30H/q+1 Cn1cccc1[C@H](CNC(=O)C(=O)Nc2ccc(c(c2)F)F)[NH+]3CCc4ccccc4C3 C01[X(C24H25F2N4O2)] 165 C01 530 O=C(C(=O)NC[C@@H](c1cccn1C)[NH+]1CCc2c(C1)cccc2)Nc1ccc(c(c1)F)F O=[C]([NH][C]1[CH][CH][C]([C]([CH]1)F)F)C(=O)NC[C@@H]([C]1[CH][CH]=[CH][N]1C)[NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1 CN1C=C[CH][C]1[C@H](CNC(=O)C(=O)N[C]2[CH][CH][C](F)[C](F)[CH]2)[NH]3CC[C]4[CH][CH][CH][CH][C]4C3 InChIKey=OBLFTPPGHRXBGL-QFIPXVFZSA-N InChI=1S/C24H25F2N4O2/c1-29-11-4-7-21(29)22(30-12-10-16-5-2-3-6-17(16)15-30)14-27-23(31)24(32)28-18-8-9-19(25)20(26)13-18/h2-9,11,13,22,30H,10,12,14-15H2,1H3,(H,27,31)(H,28,32)/t22-/m0/s1 InChI=1/C24H25F2N4O2/c1-29-11-4-7-21(29)22(30-12-10-16-5-2-3-6-17(16)15-30)14-27-23(31)24(32)28-18-8-9-19(25)20(26)13-18/h2-9,11,13,22,30H,10,12,14-15H2,1H3,(H,27,31)(H,28,32)/t22-/m0/s1/f/h27-28H 3126.4506523140 -1489.6094964 1-A 19264.0889 115 415 530 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1594.3151 1606.7024 1608.4449 1627.7759 1631.7071 1638.0001 1644.9079 1651.0036 1657.0797 1664.6105 1668.6401 1673.5056 1705.1269 1716.5475 1742.5413 1772.3075 1789.1721 1811.4864 1824.1692 1834.4882 1947.5411 1972.0570 3205.9805 3226.3299 3249.7705 3264.0834 3264.9795 3279.8225 3289.1787 3294.5556 3342.7276 3344.0509 3361.6872 3366.5216 3367.7192 3371.3262 3371.3655 3387.7595 3402.6859 3409.6399 3412.2233 3444.0196 3463.0050 3464.3639 3692.4415 3833.7033 3842.2577 7.6213 5.9249 5.4496 4.8642 5.0990 5.6806 7.9042 4.2285 7.5921 6.8807 5.6789 1.3464 3.0786 4.8937 3.6616 6.3892 6.6693 2.3996 4.3464 3.7359 4.2968 6.2990 2.8119 10.5556 6.5060 5.4391 4.4454 3.1929 4.9021 6.2760 2.8559 2.6964 2.9596 4.7888 3.1413 3.3841 4.4616 4.5314 6.4702 8.7284 8.3146 3.8589 6.4721 5.2538 3.0674 4.3070 4.1642 3.1690 1.1214 3.9356 4.9279 2.1173 1.5404 6.0189 4.4157 2.8202 1.2134 1.4800 3.8137 4.1760 10.3090 2.8794 1.4437 3.1138 1.8404 2.0210 4.0401 1.6708 1.3667 1.9253 4.6578 1.3663 2.9145 1.4304 1.4994 1.8340 2.4878 2.1196 2.2948 2.3360 1.3531 1.8613 2.2303 2.3083 2.4103 2.5092 2.5385 1.3889 2.4054 1.7743 1.3213 2.1084 2.7916 2.4806 2.0790 1.1192 1.7819 2.4619 1.2179 2.0167 2.1294 1.4595 1.3934 1.5910 1.3902 1.3636 3.1898 1.7335 3.3840 1.6186 1.5235 1.3867 1.9820 1.5830 1.3748 1.3621 1.5492 1.9358 1.7014 2.6204 1.9622 2.1166 1.0998 1.0443 1.0952 1.3742 1.2025 1.4232 1.1607 2.1108 2.6003 2.2911 4.3224 2.8328 6.2341 5.3696 4.5923 6.6568 8.9885 11.7117 1.0707 1.0368 1.0706 1.0902 1.0709 1.0733 1.1071 1.0864 1.1018 1.0997 1.0909 1.0914 1.1032 1.0922 1.0977 1.0936 1.0985 1.0955 1.0960 1.0932 1.1068 1.0936 1.0778 1.0782 1.0782 0.0007 0.0007 0.0019 0.0022 0.0046 0.0064 0.0118 0.0112 0.0274 0.0286 0.0348 0.0131 0.0395 0.0667 0.0701 0.1292 0.1561 0.0618 0.1240 0.1246 0.1762 0.2819 0.1393 0.5889 0.3736 0.3253 0.3419 0.2889 0.4795 0.6561 0.3576 0.3632 0.4117 0.7239 0.4808 0.5212 0.7556 0.8119 1.1622 1.7084 1.8346 0.9015 1.5575 1.2730 0.8087 1.1949 1.1897 0.9584 0.3481 1.3235 1.6597 0.7578 0.5569 2.2609 1.6801 1.1480 0.5175 0.6351 1.6612 1.9336 4.9338 1.4076 0.7280 1.5844 0.9845 1.1011 2.2755 0.9580 0.8073 1.1431 2.8878 0.8498 1.9432 0.9561 1.0025 1.2893 1.7886 1.5418 1.6868 1.7439 1.0376 1.4394 1.7441 1.9014 2.0218 2.1580 2.2139 1.2117 2.1103 1.6074 1.2204 1.9716 2.6465 2.4000 2.0904 1.1262 1.8085 2.6346 1.3285 2.2089 2.3454 1.6536 1.6238 1.8613 1.6439 1.6318 3.8587 2.1182 4.2130 2.0413 1.9836 1.8992 2.7477 2.2039 1.9484 1.9512 2.2411 2.8770 2.5480 3.9855 2.9909 3.3044 1.7253 1.6509 1.7460 2.2069 1.9454 2.3236 1.9041 3.4830 4.4543 3.9775 7.7329 5.2426 11.7579 10.3815 9.0034 13.1991 20.0869 26.8354 6.4840 6.3587 6.6619 6.8436 6.7261 6.8023 7.0571 6.9476 7.2535 7.2457 7.2634 7.2879 7.3721 7.3142 7.3507 7.3952 7.4933 7.5040 7.5188 7.6400 7.8201 7.7331 8.6579 9.3365 9.3779 0.4109 0.4874 0.3519 0.0581 0.8241 0.0618 0.6277 0.4577 3.3515 0.9928 8.3406 0.2464 1.1025 0.5347 0.5530 1.0714 0.3460 0.9186 8.1340 1.3332 13.1086 3.0583 11.6715 1.2992 2.6429 0.9813 12.2167 11.4317 14.8945 8.8345 33.3873 4.7523 5.8889 4.2125 2.0348 1.4819 4.9702 3.3448 21.0644 63.7660 15.6487 13.4041 5.6806 2.7406 11.8136 0.1520 8.2332 5.8109 77.1528 30.7917 2.3049 43.2869 108.7786 9.7803 2.4739 2.9914 43.7666 60.2368 1.4653 57.2898 0.1612 1.4942 58.2080 7.5800 9.9604 21.0828 14.7334 19.5481 47.9603 19.2045 10.6834 0.8312 28.3169 8.9644 12.1448 4.7508 26.1035 6.8908 10.3772 18.1347 0.2250 19.4751 2.6627 46.6896 17.2833 7.8889 2.5250 26.2448 10.6195 4.4261 2.7178 19.2032 11.1532 0.7792 4.0922 25.9474 1.0517 135.3700 14.9986 132.8195 8.6679 41.6625 9.6757 49.5881 3.5854 5.7932 81.1399 25.6341 51.0687 12.9036 18.1408 1.3519 5.2192 9.7520 11.8957 55.3036 16.9684 40.2634 92.3053 113.1126 104.3026 8.0870 8.5127 12.0406 6.8260 41.4395 40.7221 11.1336 23.5852 17.1289 82.6725 1114.7665 5.5964 189.8507 0.8062 1.1412 68.0680 17.7863 588.0260 42.9663 12.8952 37.1243 7.2507 3.6095 12.6331 8.3088 27.4093 13.9327 7.4656 3.4393 9.1099 2.2725 2.3407 11.1125 7.2443 8.1889 10.9547 0.9800 6.1170 0.1799 0.2706 9.0618 36.1577 75.7353 92.5365 3.4221 3.3961 2.3443 1.0667 1.7010 1.3748 1.6958 5.9572 0.3463 1.4116 1.4669 0.3474 2.5095 1.1172 0.8523 1.5976 0.8480 2.0351 1.6759 2.7244 1.4069 1.7239 3.4061 0.4476 0.9379 0.6058 2.4839 0.6401 1.2178 4.5668 3.3790 0.3673 0.4473 0.8751 0.4132 1.3112 3.1413 1.4354 1.9688 1.4412 6.2931 3.3669 3.6466 4.4734 0.8012 1.3308 2.9641 1.7940 0.8467 2.8314 2.1761 1.0284 1.5413 7.8152 12.4094 9.4535 1.1610 5.1392 8.9929 15.0737 2.8775 2.4801 1.3812 1.8903 4.9547 7.6735 6.7555 2.2590 2.3121 3.6094 1.6984 1.3197 5.1958 1.1159 1.3477 1.5735 6.9426 5.9191 4.7167 5.7798 0.0334 13.7716 11.1072 4.2167 4.3504 12.7775 2.4911 8.3722 4.4791 2.8110 3.3731 7.9891 10.1632 6.2730 1.4053 2.5521 3.1157 1.2809 4.1914 8.8670 10.1600 6.1913 4.1453 16.1299 7.1055 7.9932 6.0511 13.8730 45.1221 6.6390 4.5572 4.7422 2.9862 3.2337 2.5158 10.2716 42.4814 62.3939 62.5367 7.7801 26.3456 1.0397 9.8670 23.0672 9.8841 15.1281 7.5777 17.6530 3.8778 1.1185 1.6269 1.7910 3.0419 45.4499 10.6129 19.0106 3.1803 170.9228 2.8941 78.7556 80.5592 102.0688 58.8039 61.2825 94.1499 60.4585 54.8760 94.6369 76.4605 41.1252 14.8731 83.1429 60.7042 60.4946 86.6319 74.4208 231.6898 128.2301 57.0707 60.9518 159.8611 33.3846 15.0327 33.0243 44.2358 0.7455 0.7475 0.7500 0.7306 0.7442 0.7467 0.7499 0.7236 0.7328 0.7499 0.7448 0.4375 0.7483 0.4932 0.6949 0.5917 0.1138 0.6852 0.4170 0.5813 0.4986 0.6923 0.6376 0.4932 0.4526 0.4137 0.3680 0.1170 0.5160 0.7479 0.4798 0.1100 0.5669 0.4659 0.7480 0.6575 0.7466 0.1907 0.3211 0.2722 0.4436 0.3158 0.5847 0.4882 0.6469 0.7347 0.1543 0.3618 0.7267 0.2389 0.7478 0.2484 0.3984 0.1978 0.1973 0.2175 0.6276 0.1517 0.1769 0.0782 0.6591 0.1058 0.7420 0.0922 0.1636 0.2247 0.6620 0.3381 0.7458 0.6187 0.6123 0.6865 0.2207 0.6034 0.4520 0.7491 0.6180 0.5143 0.2004 0.7082 0.3868 0.4790 0.1254 0.3426 0.6307 0.1459 0.7140 0.3566 0.5399 0.5900 0.6822 0.2004 0.3678 0.3044 0.6071 0.7169 0.3879 0.4917 0.7142 0.2544 0.2341 0.3430 0.6822 0.3280 0.7330 0.4702 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 18.99840 14.00307 1.00783 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 10509.2715 27409.3576 34118.1940 0.99992 0.01171 -0.00564 -0.01168 0.99992 0.00464 0.00569 -0.00457 0.99997 1 0.00824 0.00316 0.00254 0.17173 0.06584 0.05290 18.32 20.38 34.82 40.26 56.38 63.02 72.38 96.48 112.64 120.76 146.71 184.55 212.45 218.88 259.42 266.52 286.74 300.69 316.61 342.27 379.59 396.50 417.15 442.74 449.15 458.40 519.80 563.87 586.26 606.04 663.25 687.94 699.09 728.76 733.33 735.58 771.39 793.41 794.41 829.27 880.48 905.97 919.52 922.66 962.44 987.31 1001.89 1030.80 1044.28 1087.00 1087.81 1121.40 1127.02 1148.82 1156.22 1195.92 1224.14 1227.85 1237.09 1275.45 1296.73 1310.57 1331.04 1337.07 1370.95 1383.58 1406.73 1419.37 1440.68 1444.28 1475.91 1478.31 1530.53 1532.49 1532.69 1571.60 1589.34 1598.63 1607.05 1619.53 1641.37 1648.34 1657.58 1701.24 1716.74 1738.32 1750.49 1750.77 1755.66 1784.13 1801.41 1812.63 1825.07 1843.73 1879.55 1880.21 1888.39 1939.08 1957.71 1961.71 1967.20 1995.23 2023.46 2027.40 2038.24 2050.53 2061.61 2071.99 2091.46 2105.04 2138.83 2193.63 2207.02 2211.70 2231.46 2243.45 2254.48 2285.11 2293.86 2311.69 2314.19 2342.01 2347.66 2356.72 2366.66 2375.43 2384.17 2395.00 2400.80 2407.80 2453.30 2469.73 2507.13 2549.96 2574.22 2606.32 2624.57 2639.42 2802.08 2837.35 4612.69 4641.97 4675.69 4696.29 4697.58 4718.93 4732.39 4740.13 4809.44 4811.34 4836.72 4843.67 4845.40 4850.59 4850.64 4874.23 4895.71 4905.71 4909.43 4955.18 4982.49 4984.45 5312.60 5515.84 5528.15 0.501887 0.528293 0.529238 0.440263 -1489.107609 -1489.081203 -1489.080259 -1489.169233 2.984203D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE Cn1cccc1[C@H](CNC(=O)C(=O)Nc2ccc(c(c2)F)F)[NH+]3CCc4ccccc4C3 C11898432 RHF 6-31G(d) (6D,10F) C1 439.194558 |X|Y|Z| 115.291648 69.137477 34.522195 65.043404 27 6 7 23 4 |36.858105| |13.124067|53.358707| |7.670273|19.063128|36.858105| |5.271895|11.683424|14.022767|36.858105| |5.244296|11.689376|8.559346|13.452226|36.858105| |7.520313|18.892460|8.597688|8.487173|13.928563|36.858105| |6.220155|10.290653|5.214977|5.116238|7.330857|12.670892|36.858105| |7.312229|9.901490|4.838384|4.388999|5.540626|8.924376|17.616438|0.500000| |4.699275|7.294723|4.175627|4.257330|5.805874|7.534719|12.375330|0.248343|36.858105| |3.725703|6.066137|3.833448|4.252198|5.974387|6.255745|7.643188|0.156211|13.200211|53.358707| |2.987411|4.644456|3.032934|3.340873|4.355185|4.417861|5.343851|0.120716|7.780125|19.288716|36.858105| |2.784691|4.161871|2.686524|2.871651|3.619651|3.822537|4.850213|0.116228|6.700344|11.456978|15.857683|73.516695| |2.555046|4.004918|2.756690|3.129273|3.904465|3.658731|3.971131|0.092430|5.045829|10.810038|12.369136|14.077755|36.858105| |2.610166|4.197286|2.982491|3.504985|4.335865|3.819180|3.859766|0.089144|4.682131|9.820081|8.047372|9.821037|15.871533|73.516695| |2.197950|3.350210|2.316785|2.576337|3.091447|2.954332|3.235769|0.078337|3.953456|7.286956|7.978343|12.566337|14.298670|14.825646|53.358707| |1.918244|2.904909|2.053063|2.284633|2.646649|2.490966|2.640764|0.065176|3.084966|5.340757|5.049525|8.281422|7.695555|11.396133|18.336122|36.858105| |1.723025|2.562161|1.804940|1.974344|2.252174|2.159888|2.312335|0.058280|2.658706|4.360864|4.027961|7.150779|5.191257|7.824963|10.845948|13.727694|36.858105| |1.547011|2.289926|1.632761|1.782053|1.991302|1.898777|1.997287|0.050837|2.245950|3.593423|3.148910|5.538197|3.914673|6.354788|7.064038|7.926356|13.767857|36.858105| |1.518861|2.263955|1.636686|1.801648|1.989633|1.866906|1.923025|0.048792|2.140085|3.437219|2.918531|4.963708|3.701887|6.388262|6.208962|6.893545|7.987795|13.853798|36.858105| |1.647527|2.489894|1.814500|2.027484|2.245722|2.068463|2.100288|0.052640|2.345177|3.861545|3.247360|5.304578|4.358669|7.940500|7.014882|8.010777|6.941235|7.996803|13.818887|36.858105| |1.864591|2.851412|2.060630|2.326275|2.641830|2.418947|2.473613|0.060973|2.823011|4.857033|4.223615|6.639352|6.349268|11.565540|10.537106|13.710269|7.915391|6.845709|7.921693|13.838804|36.858105| |1.582771|2.397412|1.774131|1.990722|2.160669|1.967040|1.956906|0.049217|2.149091|3.487207|2.818255|4.564491|3.647906|7.000960|5.417263|5.315781|4.687470|5.321736|8.189754|14.436167|8.185897|97.533100| |1.380011|2.043730|1.486706|1.626854|1.769458|1.663422|1.700736|0.043550|1.866099|2.932936|2.428463|4.161221|2.955215|5.188819|4.717109|4.664508|5.295641|8.130801|14.423648|8.168674|5.292682|16.048865|97.533100| |4.560886|7.272484|4.201226|4.356018|6.062405|7.702727|12.515058|0.254222|7.512233|8.623718|5.178094|8.830824|3.922687|6.601667|4.487113|2.694300|2.382993|2.052508|1.961144|2.124592|2.494342|4.423678|3.898395|53.358707| |3.992266|6.666945|4.118840|4.576317|6.719123|7.255393|9.297408|0.182634|6.955149|9.637057|5.845045|9.413601|4.533677|7.705287|5.047184|3.000422|2.601068|2.225164|2.136281|2.342131|2.789390|4.862162|4.211703|25.688723|0.500000| |4.628745|7.156734|4.256850|4.260353|5.346065|6.487501|7.567961|0.196650|4.905762|5.861936|3.698440|6.384235|3.059147|5.304907|3.625334|2.272058|2.046129|1.804243|1.740571|1.873692|2.146999|3.963021|3.514519|17.219457|0.258132|36.858105| |3.410696|5.205978|3.384502|3.536272|4.251877|4.529819|4.969275|0.127875|3.806311|4.947321|3.341318|5.867283|2.888573|4.986202|3.525096|2.249487|2.048733|1.818844|1.753098|1.874347|2.126843|3.963378|3.552731|10.466866|0.206366|12.541965|36.858105| |2.899287|4.279821|2.780321|2.899174|3.481156|3.718260|4.368388|0.114164|3.656769|4.819068|3.460440|6.405521|2.956325|4.918166|3.723747|2.361126|2.188572|1.926313|1.824268|1.921338|2.177986|4.002532|3.682961|9.078327|0.180336|7.558054|12.593712|36.858105| |2.412410|3.514046|2.353013|2.457608|2.843607|2.948425|3.314015|0.087955|2.911738|3.926770|2.899822|5.400420|2.585955|4.318867|3.359284|2.191199|2.072295|1.851577|1.752516|1.823367|2.030013|3.810565|3.572782|6.120444|0.125802|5.004179|7.558890|13.685493|36.858105| |2.138077|3.070380|2.060931|2.144774|2.463891|2.556476|2.905462|0.077817|2.675513|3.635992|2.778125|5.332301|2.495940|4.094523|3.341736|2.196508|2.124434|1.899452|1.772995|1.815156|2.004904|3.760251|3.620500|5.108047|0.104860|3.873984|5.021817|7.907620|13.808267|36.858105| |2.164595|3.084819|2.042552|2.116664|2.461723|2.593624|3.051162|0.081979|2.907563|3.934761|3.093156|6.200572|2.711401|4.329851|3.683976|2.379024|2.323015|2.043620|1.874502|1.904784|2.120257|3.892407|3.795600|5.309646|0.107587|3.747002|4.433294|6.841058|7.945883|13.710922|36.858105| |2.491268|3.559092|2.300626|2.377078|2.838502|3.067676|3.806984|0.101714|3.644582|4.832434|3.806436|7.893488|3.150996|4.936901|4.188035|2.605078|2.494861|2.148839|1.965636|2.019539|2.293130|4.101309|3.933186|6.905043|0.136059|4.518257|5.015588|7.912481|6.897073|7.956680|13.814427|36.858105| |2.965245|4.317579|2.734891|2.830204|3.474199|3.833969|4.914613|0.128617|4.326013|5.587224|4.134841|8.106366|3.334386|5.341815|4.216137|2.592468|2.407750|2.077307|1.935489|2.028635|2.328232|4.163069|3.867934|10.381721|0.195426|6.729709|7.565494|13.739806|7.951557|6.871570|7.921318|13.678774|36.858105| |3.644397|5.316702|3.196588|3.258573|4.168503|4.961132|7.504769|0.192762|6.396724|7.432699|5.152172|10.060599|3.788690|6.027030|4.575578|2.722567|2.474262|2.109798|1.971800|2.091759|2.440449|4.289353|3.913513|17.256043|0.258666|7.794712|6.432913|7.502363|5.007678|4.446213|5.054464|7.655241|12.587707|36.858105| |17.582737|12.321137|5.946186|4.499862|4.660173|6.578065|6.179232|0.220341|4.446191|4.773822|2.885212|4.896472|2.445015|4.368247|2.901058|1.859312|1.685037|1.512359|1.476073|1.589086|1.792234|3.420646|3.021585|6.649950|0.113995|5.322648|3.788366|3.185285|2.623512|2.303069|2.320828|2.677642|3.231533|3.957453|0.500000| |17.588665|12.327204|5.992745|4.536969|4.697969|6.616822|6.169270|0.209277|5.139600|5.306114|3.116988|5.194073|2.628000|4.724634|3.078674|1.962101|1.764835|1.578376|1.542824|1.669512|1.894133|3.591555|3.147042|5.875519|0.104996|4.090739|3.087666|2.731559|2.284734|2.062749|2.125076|2.465947|2.880136|3.612458|0.299362|0.500000| |17.656748|12.560120|7.450162|4.914052|4.478115|5.649553|4.638326|0.143742|3.761226|4.280514|2.590670|4.300982|2.280281|4.181671|2.701170|1.759837|1.588879|1.440944|1.423341|1.542215|1.727571|3.362351|2.930735|5.006360|0.092410|3.833737|2.987115|2.551112|2.175704|1.938729|1.946162|2.197432|2.567195|3.036001|0.302486|0.302184|0.500000| |6.977058|12.262914|17.806349|8.639687|5.810332|5.906923|4.148485|0.112129|3.464244|4.336186|2.607816|4.176655|2.403848|4.599979|2.804752|1.852596|1.646239|1.503622|1.511407|1.665946|1.867149|3.690300|3.115094|4.712817|0.093572|3.591276|2.950719|2.461549|2.126274|1.878164|1.855443|2.063170|2.410392|2.760193|0.151877|0.153037|0.224952|0.500000| |4.144553|7.971742|8.771694|17.805839|8.545167|5.806961|4.029795|0.098067|3.538505|4.997550|3.010344|4.615654|2.938283|5.965569|3.337474|2.222599|1.921124|1.754280|1.795393|2.033158|2.308457|4.560661|3.670778|4.926537|0.107568|3.582757|3.147328|2.622160|2.279358|2.003387|1.963263|2.167932|2.533622|2.827851|0.101152|0.101944|0.112080|0.197221|0.500000| |4.110482|7.957935|5.842224|8.579038|17.761412|8.715193|6.385049|0.132796|5.622616|9.083175|4.974170|7.073999|4.639693|9.480333|4.845628|3.020540|2.515149|2.204855|2.210564|2.530084|3.033997|5.447116|4.375877|8.132720|0.206581|5.013925|4.299620|3.622627|2.976989|2.589784|2.590707|2.981514|3.624612|4.239077|0.105493|0.106247|0.099632|0.123365|0.197051|0.500000| |5.103140|7.659429|4.378336|4.293324|5.461776|7.084929|9.015749|0.217350|17.594771|12.493924|6.057610|9.337351|4.428616|7.626500|4.812660|2.848963|2.469088|2.117109|2.036679|2.235235|2.658870|4.662811|4.027935|7.546676|0.143591|4.119003|3.241115|3.070411|2.519852|2.331467|2.507077|3.043857|3.507288|4.801896|0.126643|0.166728|0.113773|0.102254|0.099028|0.139640|0.500000| |4.064275|5.863282|3.441588|3.453024|4.430080|5.497410|8.727599|0.217633|17.671226|12.608476|7.570138|13.946580|4.742965|7.391596|5.373909|3.058344|2.702454|2.265176|2.119800|2.280194|2.722176|4.648941|4.159240|9.168455|0.166806|4.528711|3.634243|3.688774|2.956182|2.784465|3.123747|4.027053|4.610161|7.070536|0.111327|0.124931|0.092338|0.082149|0.082153|0.121712|0.304013|0.500000| |3.694405|6.254291|4.152785|4.832358|6.832717|6.360183|6.474641|0.135870|9.001198|25.956761|9.574041|10.914855|7.866460|15.489139|6.953570|3.921609|3.130951|2.624663|2.572564|2.960805|3.749538|6.121683|4.948113|7.234396|0.168397|3.923613|3.358711|3.176175|2.643478|2.433734|2.577118|3.061887|3.515428|4.404673|0.093926|0.106129|0.088293|0.094898|0.117011|0.221266|0.221399|0.180321|0.500000| |2.174194|3.259258|2.219530|2.423479|2.906346|2.862010|3.239643|0.079601|3.986115|6.979021|7.963919|15.248657|9.661291|10.898602|25.984773|9.235280|7.572388|4.889147|4.072985|4.289995|5.726413|7.627400|7.169623|4.556259|0.102469|2.686574|2.616956|2.837786|2.562943|2.597007|2.941022|3.386164|3.305519|3.577751|0.059184|0.062479|0.054302|0.055032|0.063465|0.091041|0.097689|0.115902|0.128291|0.500000| |1.724603|2.538816|1.767883|1.912354|2.190714|2.139577|2.336783|0.059391|2.699251|4.337713|4.077980|7.685359|4.851621|7.044999|9.985226|8.892864|17.717433|8.949538|5.676816|4.987353|5.631440|8.340315|9.595649|3.301758|0.072718|2.073729|2.077189|2.258246|2.142259|2.230061|2.488365|2.681060|2.527877|2.587019|0.047169|0.049257|0.044010|0.044817|0.051227|0.067285|0.069125|0.078010|0.084199|0.231545|0.500000| |1.442991|2.116085|1.506024|1.628879|1.807589|1.739650|1.836734|0.047233|2.048350|3.204541|2.773644|4.986973|3.287073|5.337271|5.717233|5.631110|8.877912|17.748347|8.998555|5.685960|4.940384|9.653526|16.612635|2.576690|0.056432|1.680322|1.700668|1.812760|1.760087|1.824663|1.967798|2.045586|1.953036|1.965964|0.039361|0.040915|0.037444|0.038736|0.044502|0.055015|0.053796|0.057906|0.064492|0.115378|0.214486|0.500000| |1.997973|3.103849|2.268561|2.608053|2.965556|2.648788|2.648086|0.064498|3.013813|5.303054|4.424566|6.622912|6.870681|14.814089|9.463015|8.824973|5.621008|4.946564|5.666335|9.009939|17.822501|16.791512|9.642440|3.586867|0.082696|2.263875|2.221261|2.229744|2.055286|1.996688|2.090163|2.276389|2.362161|2.508094|0.052871|0.056174|0.051433|0.056749|0.072467|0.096146|0.079319|0.078687|0.118640|0.142201|0.123458|0.107463|0.500000| |4.790878|6.686673|3.889417|3.694686|4.389605|5.530456|6.765458|0.207051|4.561988|5.196322|3.335105|5.928394|2.745906|4.713454|3.313470|2.089257|1.907993|1.689644|1.622383|1.729827|1.964391|3.658527|3.293610|12.450358|0.182329|17.607847|8.792317|6.655139|4.664483|3.740828|3.678052|4.437511|6.321071|7.428426|0.164700|0.118666|0.109742|0.094253|0.087134|0.112278|0.109558|0.122439|0.095899|0.069052|0.054154|0.044047|0.057034|0.500000| |5.356268|8.940830|5.347180|5.285329|6.467061|7.805131|7.295221|0.186055|4.656926|5.642671|3.453305|5.766940|2.942384|5.262449|3.445982|2.186277|1.954293|1.738012|1.696720|1.842046|2.104506|3.940974|3.439863|12.305935|0.215942|17.696508|8.830570|5.522609|4.097548|3.256995|3.121024|3.623762|4.928135|5.656006|0.168179|0.123670|0.123573|0.121745|0.119548|0.156669|0.113552|0.114037|0.109762|0.069721|0.054406|0.044840|0.062408|0.300385|0.500000| |3.237592|4.790407|3.178013|3.239842|3.682781|3.913914|4.122247|0.111098|3.221370|4.146892|2.814316|4.962045|2.484076|4.326732|3.073463|1.997928|1.839556|1.654379|1.601462|1.702952|1.905449|3.631323|3.277956|7.633834|0.147232|8.996542|17.572809|8.865303|6.964980|4.676052|3.972843|4.241470|5.747285|4.951698|0.101582|0.080467|0.080658|0.079014|0.081320|0.100945|0.078756|0.086043|0.079550|0.063325|0.051767|0.043262|0.055137|0.218000|0.209821|0.500000| |3.221252|5.118633|3.471903|3.805394|4.602978|4.527376|4.637476|0.114131|3.668265|5.023990|3.396574|5.790661|3.037100|5.348068|3.675378|2.364258|2.128822|1.895514|1.844444|1.991540|2.265702|4.232789|3.731953|9.169393|0.209636|8.899248|17.516041|8.871946|6.545529|4.555417|3.994177|4.382179|6.071035|5.363581|0.095887|0.080881|0.079475|0.083387|0.095873|0.135053|0.087313|0.094865|0.097285|0.074451|0.059221|0.048909|0.066343|0.173730|0.220298|0.304618|0.500000| |2.309496|3.371923|2.301412|2.407619|2.722931|2.775001|3.000718|0.079859|2.617470|3.545285|2.584731|4.715204|2.358090|4.013514|3.057112|2.027702|1.916793|1.735273|1.660377|1.731394|1.909361|3.657945|3.412609|5.339285|0.110773|4.572387|7.029551|8.913396|17.707989|8.944206|5.649500|4.963759|5.653832|4.076864|0.069651|0.060100|0.058642|0.058265|0.062753|0.078783|0.064031|0.072603|0.067643|0.063923|0.054498|0.045879|0.053963|0.117871|0.109355|0.204707|0.181110|0.500000| |1.921878|2.747338|1.869486|1.944311|2.193900|2.251553|2.502551|0.067356|2.327986|3.183115|2.435760|4.635987|2.239884|3.706340|3.033825|2.035179|1.991544|1.806778|1.691552|1.718874|1.872585|3.579659|3.487189|4.236724|0.087451|3.240805|4.097437|5.635383|8.944070|17.732399|8.899108|5.655260|4.952442|3.554917|0.057208|0.051521|0.048981|0.047788|0.051005|0.063944|0.057283|0.066950|0.060006|0.065155|0.057932|0.048596|0.051579|0.087505|0.078213|0.110657|0.106793|0.215944|0.500000| |1.956582|2.766163|1.845516|1.907757|2.191640|2.297456|2.672684|0.072297|2.613526|3.557646|2.840412|5.751889|2.534520|4.030839|3.526908|2.312793|2.309059|2.044908|1.857751|1.861032|2.048811|3.790126|3.780255|4.444933|0.090314|3.110643|3.546742|4.936782|5.649641|8.893160|17.735196|8.943703|5.639515|4.125081|0.057842|0.053809|0.049262|0.046939|0.049511|0.063992|0.063581|0.078568|0.065160|0.079004|0.069562|0.055360|0.055455|0.085671|0.073972|0.090444|0.090902|0.124203|0.214254|0.500000| |2.436979|3.444663|2.216898|2.278343|2.716442|2.959765|3.733297|0.100638|3.780700|4.981844|4.056859|8.945939|3.282911|5.023661|4.442385|2.725745|2.639882|2.246291|2.026017|2.065660|2.352898|4.155545|4.034811|6.341451|0.123967|3.955900|4.089605|5.635034|4.963396|5.653192|8.945860|17.702840|8.893761|7.151654|0.072038|0.068319|0.059641|0.055379|0.057689|0.079029|0.087873|0.121307|0.086284|0.102822|0.080375|0.059603|0.064261|0.109701|0.090606|0.097828|0.101717|0.107689|0.124268|0.215899|0.500000| |3.352915|4.921533|3.010103|3.114810|4.003899|4.622120|6.887349|0.169381|7.305632|8.912924|6.721057|14.540708|4.514311|6.828758|5.448283|3.114139|2.812962|2.344342|2.161958|2.291462|2.716073|4.627085|4.238005|12.311480|0.225722|5.649620|4.926591|5.717006|4.253616|4.013601|4.765177|7.190808|8.924845|17.703982|0.097498|0.095082|0.078350|0.072372|0.075851|0.116341|0.145619|0.249363|0.137518|0.121812|0.082688|0.060333|0.076898|0.147776|0.126515|0.109634|0.123684|0.097815|0.091242|0.112850|0.215089|0.500000| |3.863485|5.301649|3.119029|3.057771|3.763170|4.662923|7.067253|0.215321|5.938737|6.356776|4.330373|8.498963|3.262594|5.259774|3.997057|2.424768|2.234287|1.927862|1.804192|1.900962|2.188790|3.924014|3.613621|12.463755|0.182256|7.036361|5.492588|6.096657|4.388441|3.985644|4.519442|6.448393|8.800238|17.576639|0.120496|0.108105|0.088661|0.076042|0.073508|0.102088|0.131527|0.191392|0.107299|0.086975|0.065108|0.050329|0.062327|0.222395|0.146632|0.127420|0.124519|0.101964|0.090732|0.105867|0.177014|0.301319|0.500000| 1487.674966 -9716.195714 3809.254844 -196.794520 -4616.060424 3126.450877 -1489.609547 2.001300 408A40000000002F 44BCA04E4F9269D2 443FB969A037DE8E 426D8D4B92E9FFFD 38DD83C940000000 444636B48DFD9CF4