Version2.4 2021-04-30T03:59:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 29-Oct-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](c1ccc2c(c1)[nH]c(=O)[nH]2)[NH2+]Cc3c[nH]nc3 C38006068 RHF 6-31G(d) (6D,7F) C[C@H](c1ccc2c(c1)[nH]c(=O)[nH]2)[NH2+]Cc3c[nH]nc3 C01[X(C13H16N5O1)] 99 C1 317 O=c1[nH]c2c([nH]1)cc(cc2)[C@H]([NH2+]Cc1c[nH]nc1)C O=c1[nH]c2c([nH]1)cc(cc2)[C@H]([NH2+]Cc1c[nH]nc1)C C[C@@H]([NH2+]Cc1c[nH]nc1)c2ccc3NC(=O)Nc3c2 InChIKey=CUVBAHKUQHXYER-MRVPVSSYSA-O InChI=1S/C13H15N5O/c1-8(14-5-9-6-15-16-7-9)10-2-3-11-12(4-10)18-13(19)17-11/h2-4,6-8,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/p+1/t8-/m1/s1 InChI=1/C13H15N5O/c1-8(14-5-9-6-15-16-7-9)10-2-3-11-12(4-10)18-13(19)17-11/h2-4,6-8,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/p+1/t8-/m1/s1/fC13H16N5O/h14-15,17-18H/q+1 C[C@H](c1ccc2c(c1)[nH]c(=O)[nH]2)[NH2+]Cc3c[nH]nc3 C01[X(C13H16N5O1)] 99 C01 317 O=c1[nH]c2c([nH]1)cc(cc2)[C@H]([NH2+]Cc1c[nH]nc1)C O=C1N[C]2[C]([CH][C]([CH][CH]2)[C@H]([NH2]C[C]2[CH][NH][N][CH]2)C)N1 C[C@@H]([NH2]C[C]1[CH][N]N[CH]1)[C]2[CH][CH][C]3NC(=O)N[C]3[CH]2 InChIKey=QTOGEHSFIGIXGE-MRVPVSSYSA-N InChI=1S/C13H16N5O/c1-8(14-5-9-6-15-16-7-9)10-2-3-11-12(4-10)18-13(19)17-11/h2-4,6-8H,5,14H2,1H3,(H,15,16)(H2,17,18,19)/t8-/m1/s1 InChI=1/C13H16N5O/c1-8(14-5-9-6-15-16-7-9)10-2-3-11-12(4-10)18-13(19)17-11/h2-4,6-8H,5,14H2,1H3,(H,15,16)(H2,17,18,19)/t8-/m1/s1/f/h15,17-18H 1342.9277672734 -848.5166282 1-A 7791.5019 68 249 317 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62022 -15.84919 -15.77349 -15.71442 -15.71357 -15.71263 -11.48281 -11.45697 -11.45554 -11.41518 -11.40712 -11.40596 -11.38223 -11.38182 -11.37523 -11.37322 -11.37038 -11.36970 -11.36361 -1.52455 -1.52016 -1.48390 -1.42952 -1.32273 -1.28923 -1.24203 -1.23417 -1.19918 -1.14949 -1.12727 -1.11313 -1.03230 -0.99839 -0.96527 -0.95727 -0.95129 -0.93833 -0.92969 -0.88570 -0.86324 -0.84401 -0.82766 -0.80213 -0.78883 -0.78737 -0.76319 -0.75567 -0.74514 -0.74394 -0.74089 -0.73774 -0.72921 -0.71799 -0.70153 -0.69324 -0.68850 -0.67502 -0.65478 -0.63753 -0.63383 -0.58809 -0.57922 -0.55600 -0.53801 -0.49948 -0.48391 -0.45501 -0.41130 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00421 0.01411 0.03117 0.04755 0.07201 0.08746 0.09670 0.11324 0.11649 0.13074 0.13138 0.13921 0.14819 0.15595 0.16209 0.16926 0.17552 0.17827 0.19081 0.19890 0.21782 0.22556 0.23253 0.24631 0.25388 0.28482 0.28938 0.29388 0.30257 0.30615 0.34623 0.34801 0.36464 0.37316 0.38232 0.41543 0.42966 0.45001 0.48124 0.51488 0.53157 0.55007 0.55922 0.56309 0.57591 0.57981 0.60210 0.61303 0.62174 0.63602 0.64323 0.65162 0.65617 0.66286 0.67099 0.68628 0.69156 0.69578 0.69928 0.70833 0.71302 0.73243 0.74661 0.75019 0.75861 0.77574 0.78902 0.80640 0.81035 0.82465 0.83249 0.83595 0.85326 0.86862 0.88338 0.89565 0.91363 0.91928 0.92425 0.93869 0.94771 0.95226 0.95493 0.95801 0.96165 0.96882 0.97211 0.98189 0.98676 0.99519 1.00477 1.01300 1.02058 1.02800 1.03537 1.03753 1.05533 1.05866 1.06653 1.07272 1.07584 1.09483 1.10924 1.12400 1.13526 1.14665 1.16320 1.16446 1.20185 1.20584 1.20751 1.24967 1.26102 1.28068 1.31257 1.31919 1.33795 1.36154 1.38205 1.42102 1.43265 1.44744 1.44869 1.46385 1.47249 1.48458 1.48993 1.51014 1.52728 1.53535 1.55299 1.57275 1.59319 1.59540 1.60444 1.61341 1.63370 1.64431 1.66774 1.67836 1.68744 1.71756 1.72342 1.73230 1.79361 1.81047 1.86871 1.88474 1.88694 1.91548 1.92640 1.96749 1.97889 1.99119 2.00581 2.01359 2.03142 2.04732 2.05498 2.06616 2.07571 2.07980 2.09149 2.11161 2.12635 2.14722 2.14997 2.16722 2.19217 2.20819 2.22848 2.24717 2.27245 2.28140 2.29346 2.30226 2.33166 2.33720 2.35672 2.36424 2.37829 2.39235 2.42593 2.44954 2.45616 2.46677 2.48222 2.48804 2.50111 2.51765 2.53586 2.54521 2.56712 2.57228 2.58264 2.60713 2.62154 2.63369 2.66058 2.69152 2.70590 2.72653 2.78346 2.80647 2.81914 2.82567 2.83769 2.84999 2.86367 2.88531 2.91059 2.94847 2.95532 2.96292 2.96692 2.98311 3.03510 3.06089 3.09422 3.12637 3.16611 3.20690 3.26829 3.27575 3.27942 3.37065 3.40896 3.49891 3.54501 3.74589 4.09124 4.13245 4.29691 4.32732 4.38212 4.41270 4.43949 4.44792 4.46874 4.52619 4.53870 4.59039 4.60102 4.71868 4.78328 4.82750 4.86223 5.04384 5.10923 11.30651 8.1203 2.8038 -2.3886 8.9166 |XX|YY|ZZ|XY|XZ|YZ| -96.9556 -94.4277 -91.9582 -15.5776 -18.3997 7.6568 |XX|YY|ZZ|XY|XZ|YZ| -2.5085 0.0195 2.4890 -15.5776 -18.3997 7.6568 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 194.5737 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258.13549 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 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 16.3126 30.2148 40.9879 60.8402 95.6650 108.0637 143.6275 193.6190 225.5306 239.6400 268.5980 281.7432 318.7928 336.3452 370.0843 389.5116 443.2979 459.0687 485.5787 515.4498 541.9962 575.8103 606.2460 656.2590 678.6770 704.3816 722.6823 757.4094 768.0704 776.8905 815.9561 825.8833 847.8309 863.5554 921.6204 929.9176 943.4964 979.3630 980.9705 1005.4627 1016.0418 1023.0662 1033.7180 1051.8397 1060.4483 1074.8786 1092.1897 1124.4251 1169.3929 1178.7438 1198.7113 1230.8175 1247.9032 1283.9959 1310.1225 1334.7839 1341.9153 1363.3357 1389.5217 1409.9750 1442.4935 1457.0000 1469.7357 1483.5001 1498.9403 1528.0476 1536.6293 1546.5472 1567.1752 1578.7323 1586.8540 1594.8750 1632.7763 1643.2826 1644.2802 1646.8778 1658.8714 1676.3954 1772.1886 1807.7860 1815.9555 1823.9080 2042.2212 3231.0596 3280.6435 3283.0398 3304.2726 3321.1598 3349.4938 3366.2822 3369.4858 3398.1982 3427.8965 3449.5461 3671.3910 3733.8634 3898.3645 3900.9706 3902.9454 5.8537 3.8075 5.6224 3.4681 7.3279 2.3527 7.6472 3.6399 5.5682 3.8777 1.1358 4.3491 4.1996 2.5046 4.6077 5.4565 1.2334 2.7161 2.7019 3.2570 1.2026 4.9184 4.7447 2.4075 3.8119 3.1531 2.9974 2.1059 4.9280 4.5658 4.6497 3.7760 11.2137 1.2928 2.3352 1.6328 3.3466 1.4114 1.4135 1.5388 3.2613 4.9607 3.2913 1.7335 1.3511 3.4543 3.0426 2.0973 1.9503 1.8092 1.8675 1.9876 1.9596 1.8229 1.9656 2.1401 2.0829 1.5135 1.4535 2.1460 1.3699 2.0293 4.9773 1.4405 1.5234 1.7123 1.9108 1.1821 1.4693 1.5485 2.0985 2.5514 1.0846 1.4116 1.1449 1.8875 2.3997 2.9863 3.6221 5.3892 5.5795 1.1231 9.3622 1.0385 1.0838 1.0708 1.0997 1.1031 1.1091 1.0928 1.0901 1.0957 1.0986 1.1012 1.0566 1.0954 1.0818 1.0840 1.0822 0.0009 0.0020 0.0056 0.0076 0.0395 0.0162 0.0929 0.0804 0.1669 0.1312 0.0483 0.2034 0.2515 0.1669 0.3718 0.4878 0.1428 0.3372 0.3753 0.5098 0.2081 0.9608 1.0274 0.6109 1.0345 0.9217 0.9223 0.7118 1.7129 1.6236 1.8239 1.5175 4.7492 0.5680 1.1686 0.8319 1.7552 0.7976 0.8014 0.9165 1.9837 3.0592 2.0722 1.1300 0.8952 2.3514 2.1384 1.5623 1.5714 1.4810 1.5810 1.7741 1.7979 1.7707 1.9878 2.2465 2.2098 1.6575 1.6535 2.5136 1.6794 2.5381 6.3346 1.8678 2.0167 2.3557 2.6583 1.6658 2.1262 2.2740 3.1134 3.8237 1.7036 2.2459 1.8238 3.0162 3.8907 4.9446 6.7023 10.3770 10.8406 2.2013 23.0056 6.3878 6.8726 6.7998 7.0740 7.1686 7.3312 7.2961 7.2923 7.4551 7.6061 7.7207 8.3915 8.9981 9.6861 9.7194 9.7123 2.7553 3.8336 1.0165 3.3946 0.6943 2.8423 3.8626 0.9660 2.0365 2.2316 0.8510 1.6997 3.4585 0.6930 5.7890 14.3403 15.7562 43.9325 2.9312 11.9160 241.0380 4.5137 13.3098 77.2886 10.2716 6.2081 16.0846 39.1019 49.8087 12.8548 2.8019 1.6667 41.3616 10.8465 52.0338 15.1731 12.9765 12.6146 20.7380 63.3905 21.4617 7.7812 66.1838 3.4854 0.4982 86.4418 33.8158 5.3703 42.4136 30.2215 6.2076 1.5431 27.9586 18.8545 18.4517 28.6344 65.1080 15.4358 7.8430 22.5211 15.3797 7.0173 61.4258 18.6254 73.9708 6.7641 4.0877 18.0205 304.1634 89.2052 9.6421 50.0072 4.9606 33.3841 23.4706 128.2743 19.0467 77.6181 29.4582 3.2010 35.9047 44.5045 1339.8796 7.6884 1.9455 4.4172 26.5745 7.7139 2.9261 6.0845 10.9166 2.7360 1.8557 0.4178 32.4071 48.8562 178.0816 185.3704 114.5265 4.4469 4.2452 6.6947 1.4774 0.3938 0.7379 0.0593 0.6312 1.6472 3.0556 0.0602 2.3519 2.2316 0.3405 0.3257 2.9956 0.9862 1.5445 0.9264 1.9820 0.1043 3.1368 3.5127 1.5647 4.6187 0.6521 1.8485 0.4954 1.8245 9.1332 0.3882 4.6480 0.6469 0.5742 7.6252 2.2476 14.1197 1.0676 1.5093 3.5853 2.8260 4.0990 14.8925 1.1339 0.8763 5.7025 5.6036 23.4810 4.9082 4.8694 7.4011 6.5345 5.1901 4.0053 3.0126 1.9674 4.1049 11.4523 3.4794 23.9345 2.6605 11.8447 14.4200 2.9672 7.2359 11.2784 7.1507 17.2830 15.3065 32.7836 30.0925 32.5238 12.2482 15.0630 27.8057 40.6299 12.6882 6.4387 7.8952 2.9059 73.8538 12.4804 5.5663 100.3124 15.7787 70.1193 79.6205 76.2011 43.9406 58.6518 49.3857 116.8369 59.0977 56.3492 21.0788 12.4127 96.0349 98.9916 99.4016 0.7494 0.7483 0.7396 0.7485 0.6103 0.7377 0.7209 0.5753 0.2833 0.0691 0.1634 0.3236 0.4256 0.4176 0.5096 0.6028 0.7485 0.6206 0.5641 0.7478 0.6427 0.6465 0.7329 0.6910 0.2179 0.1032 0.4777 0.4693 0.2979 0.1099 0.7425 0.5220 0.7083 0.7473 0.5084 0.3995 0.0228 0.4054 0.7212 0.2763 0.4090 0.2101 0.3666 0.1577 0.7474 0.2148 0.5403 0.2244 0.2118 0.7372 0.1397 0.3179 0.5184 0.1796 0.6270 0.7301 0.3760 0.2092 0.6988 0.1850 0.6136 0.2757 0.7226 0.1686 0.2510 0.6453 0.4448 0.7281 0.2898 0.3398 0.4801 0.1911 0.7266 0.3654 0.6283 0.3064 0.5428 0.4133 0.3465 0.6944 0.6211 0.4720 0.4749 0.0158 0.6466 0.1530 0.2438 0.6987 0.5893 0.2975 0.4946 0.2381 0.2909 0.3177 0.0668 0.7316 0.3218 0.2910 0.1676 0.8567 0.8560 0.8503 0.8561 0.7580 0.8491 0.8378 0.7304 0.4415 0.1293 0.2809 0.4890 0.5971 0.5892 0.6752 0.7522 0.8561 0.7659 0.7213 0.8557 0.7825 0.7853 0.8459 0.8172 0.3578 0.1871 0.6465 0.6388 0.4591 0.1980 0.8522 0.6860 0.8293 0.8554 0.6741 0.5709 0.0445 0.5769 0.8380 0.4330 0.5805 0.3472 0.5366 0.2724 0.8555 0.3536 0.7016 0.3665 0.3496 0.8487 0.2452 0.4824 0.6828 0.3044 0.7708 0.8440 0.5465 0.3460 0.8227 0.3122 0.7605 0.4322 0.8390 0.2885 0.4013 0.7844 0.6157 0.8427 0.4493 0.5072 0.6488 0.3209 0.8417 0.5352 0.7717 0.4691 0.7037 0.5849 0.5147 0.8197 0.7662 0.6413 0.6440 0.0311 0.7854 0.2654 0.3921 0.8226 0.7416 0.4586 0.6618 0.3847 0.4507 0.4822 0.1253 0.8450 0.4870 0.4508 0.2871 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 6 6 1 6 6 6 6 6 6 7 1 6 8 7 1 7 1 1 6 6 6 7 1 7 6 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 14.00307 1.00783 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 14.00307 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 2312.6401 12679.2878 13595.3997 0.99999 0.00049 -0.00449 -0.00043 0.99992 0.01303 0.00449 -0.01303 0.99991 1 0.03745 0.00683 0.00637 0.78038 0.14234 0.13275 23.47 43.47 58.97 87.54 137.64 155.48 206.65 278.57 324.49 344.79 386.45 405.37 458.67 483.93 532.47 560.42 637.81 660.50 698.64 741.62 779.81 828.46 872.25 944.21 976.46 1013.45 1039.78 1089.74 1105.08 1117.77 1173.98 1188.26 1219.84 1242.46 1326.01 1337.94 1357.48 1409.08 1411.40 1446.64 1461.86 1471.96 1487.29 1513.36 1525.75 1546.51 1571.42 1617.80 1682.50 1695.95 1724.68 1770.87 1795.45 1847.38 1884.97 1920.46 1930.72 1961.54 1999.21 2028.64 2075.43 2096.30 2114.62 2134.43 2156.64 2198.52 2210.87 2225.14 2254.82 2271.44 2283.13 2294.67 2349.20 2364.32 2365.75 2369.49 2386.75 2411.96 2549.78 2601.00 2612.75 2624.20 2938.30 4648.77 4720.11 4723.56 4754.11 4778.41 4819.17 4843.33 4847.94 4889.25 4931.98 4963.13 5282.31 5372.20 5608.88 5612.63 5615.47 0.314854 0.330409 0.331353 0.268853 -848.201774 -848.186219 -848.185275 -848.247775 2.096260D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE C[C@H](c1ccc2c(c1)[nH]c(=O)[nH]2)[NH2+]Cc3c[nH]nc3 C38006068 RHF 6-31G(d) (6D,10F) C1 258.135485 |X|Y|Z| 79.518349 31.382800 21.985770 37.998540 17 6 7 12 5 |36.858105| |12.487411|36.858105| |8.892072|17.615427|0.500000| |7.404753|12.583403|0.248353|36.858105| |6.208411|7.530921|0.155756|13.734295|36.858105| |4.314135|4.988994|0.116198|7.851494|13.668442|36.858105| |3.706738|4.456810|0.111647|6.900271|8.037767|13.874311|36.858105| |3.919622|5.066021|0.134842|8.000614|6.930905|7.883777|13.585639|36.858105| |5.106492|7.597459|0.206797|13.581748|7.879613|6.755808|7.886587|13.892755|36.858105| |3.095726|3.797739|0.105710|5.115897|4.646521|5.387986|8.549567|13.821385|7.573864|53.358707| |2.895246|3.537118|0.102216|4.462317|3.910275|4.269123|5.957690|8.924509|6.533232|26.068994|0.500000| |2.699784|3.160470|0.085654|4.142679|4.153621|5.255089|8.375173|8.372235|5.256503|18.772552|0.254364|36.858105| |2.316961|2.651733|0.072720|3.299221|3.306026|4.018200|5.565002|5.564262|4.019394|11.246228|0.201591|16.054152|73.516695| |2.932978|3.390228|0.088139|4.635281|5.133800|7.574960|13.846264|8.555162|5.392835|11.861411|0.168799|13.795672|14.680657|53.358707| |2.659981|2.980520|0.077090|3.904177|4.478037|6.543227|8.942047|5.960570|4.272729|8.267346|0.130820|9.149044|12.876728|26.058039|0.500000| |7.609029|12.469924|0.254740|7.761358|6.007600|4.322990|3.858084|4.222479|5.663284|4.527955|0.086777|2.846161|4.323406|4.149764|0.075842|53.358707| |7.056026|9.136782|0.181461|7.091111|6.489480|4.593370|3.881443|3.995811|5.010087|4.288009|0.080775|2.781337|4.231151|4.170472|0.077429|25.683042|0.500000| |5.669536|9.190158|0.221007|7.552558|5.748867|4.392548|4.094347|4.618044|6.188614|4.966962|0.095437|3.072277|4.643222|4.417744|0.079796|25.688007|0.331844|0.500000| |6.082834|7.303071|0.193354|4.929681|4.107103|3.222791|2.963217|3.231376|4.088358|3.684059|0.072623|2.354026|3.677611|3.354354|0.062401|17.127792|0.255126|0.256544|36.858105| |4.236370|4.902548|0.129926|3.891477|3.457409|2.860327|2.653948|2.834839|3.392669|3.326169|0.065746|2.169759|3.436324|3.084627|0.058102|10.503270|0.197993|0.203794|12.801169|36.858105| |3.371764|3.956357|0.110167|3.347508|2.969407|2.559377|2.451475|2.651525|3.101523|3.204256|0.064319|2.090915|3.351442|2.915045|0.054943|7.539372|0.140190|0.165226|7.404057|13.885537|36.858105| |2.871701|3.237994|0.088059|2.856917|2.643214|2.332617|2.221603|2.343295|2.649928|2.869334|0.057332|1.914344|3.099857|2.685488|0.051304|5.882219|0.117817|0.126709|5.263515|8.803002|14.312740|53.358707| |2.507773|2.808931|0.077207|2.539123|2.365523|2.130458|2.053852|2.163899|2.405157|2.695280|0.054187|1.811057|2.961161|2.520710|0.048371|4.873181|0.097577|0.106047|4.176041|6.073037|9.097231|26.044973|0.500000| |2.960104|3.222264|0.084740|2.841583|2.711064|2.376424|2.209304|2.276791|2.557657|2.758684|0.054458|1.863534|3.010684|2.659216|0.051234|5.885003|0.125506|0.120730|5.176057|8.492627|8.581113|19.524943|0.263357|53.358707| |3.669104|3.963541|0.101491|3.340634|3.164060|2.675538|2.438076|2.514348|2.894134|2.977738|0.058353|1.993271|3.182485|2.872649|0.055011|7.735128|0.169553|0.148797|7.288628|13.425133|8.674115|12.420587|0.175029|19.991245|36.858105| |17.595169|8.756236|0.217319|5.438122|4.626877|3.476431|3.090980|3.300871|4.191310|3.694091|0.071979|2.379578|3.697049|3.448888|0.064421|9.224579|0.169094|0.141589|6.622485|4.445671|3.498644|4.021727|0.071399|4.139499|3.800964|0.500000| |17.610888|8.938102|0.210153|6.900813|5.934030|4.331181|3.785678|4.005086|5.098086|4.334874|0.082752|2.781903|4.244110|4.102082|0.075861|7.554947|0.144518|0.126888|4.610498|3.442203|2.871474|3.382702|0.061420|3.453580|3.037823|0.302675|0.500000| |17.572934|8.737977|0.173229|6.557610|6.539621|4.492015|3.656477|3.656505|4.488469|3.949136|0.074351|2.605472|3.987851|3.950660|0.074400|9.434050|0.209261|0.145343|5.520935|4.131670|3.244469|3.877891|0.069009|4.126119|3.796210|0.300864|0.302457|0.500000| |6.737064|6.935554|0.140334|8.883153|17.716507|8.980215|5.710927|4.982174|5.608815|5.014041|0.089000|3.404731|5.012000|5.621816|0.105385|8.092496|0.195449|0.147448|4.194914|3.542292|2.958160|3.635868|0.065940|3.834167|3.349619|0.137947|0.170990|0.229446|0.500000| |3.754234|4.071895|0.096144|5.606560|8.860932|17.739560|8.903778|5.607164|4.892592|5.938335|0.099167|4.571110|6.551608|9.057909|0.183105|5.021433|0.111800|0.102719|2.867790|2.606828|2.339395|2.962615|0.055561|3.060487|2.508735|0.086173|0.104764|0.112572|0.216497|0.500000| |4.761142|7.023236|0.228596|8.803055|5.606744|4.890201|5.614550|8.939585|17.706811|9.099623|0.183776|4.584661|6.569976|5.952533|0.099348|7.330510|0.125739|0.165611|4.158644|3.421208|3.202826|3.652721|0.067959|3.447412|2.842335|0.114607|0.131911|0.112160|0.123211|0.106486|0.500000| |5.593092|6.899820|0.216085|4.686307|3.746553|3.011196|2.861301|3.221742|4.138347|3.734750|0.075074|2.347833|3.685203|3.272854|0.060478|12.395669|0.180827|0.218859|17.625037|8.879526|6.872917|6.462039|0.109030|5.939983|5.494422|0.174403|0.124484|0.132155|0.102634|0.073850|0.123666|0.500000| |6.802507|6.689534|0.170901|4.502997|3.920210|3.066039|2.766164|2.948655|3.654686|3.375892|0.066307|2.190095|3.439415|3.148462|0.059178|12.362402|0.222249|0.181195|17.659349|8.905053|5.644579|6.099073|0.101354|6.400170|6.695182|0.230343|0.138434|0.176386|0.116051|0.077114|0.101608|0.301610|0.500000| |3.173950|3.792940|0.110373|3.252824|2.822775|2.465879|2.418935|2.674396|3.134020|3.283606|0.066947|2.118532|3.411058|2.900475|0.054345|6.778979|0.121215|0.153995|6.292791|8.532403|17.791299|12.328738|0.210917|8.043805|5.848674|0.091379|0.076679|0.082852|0.076436|0.062137|0.092597|0.186066|0.134620|0.500000| |3.778567|3.866565|0.096295|3.280716|3.214930|2.704911|2.411733|2.436814|2.778562|2.870698|0.055808|1.943018|3.101116|2.836970|0.054763|7.207052|0.169330|0.132211|6.298215|8.465569|5.867342|8.345106|0.132663|12.615602|17.768897|0.108452|0.086554|0.113386|0.097789|0.071525|0.074526|0.131983|0.181298|0.123250|0.500000| 847.407213 -4649.176922 1724.840101 -114.514898 -2191.444506 1342.927864 -848.516642 2.001309 40865FFFFFFFFFF9 42C296E86B66D87F 42515E476636FADC 416B2AF95FFFFFFD 4044000000000001 42B3E91D80279CFD