Version2.4 2021-04-30T04:14:22Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 31-Oct-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](C(=O)Nc1cc2c(cc1Br)[nH]c(=O)[nH]2)[NH3+] C37034028 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](C(=O)Nc1cc2c(cc1Br)[nH]c(=O)[nH]2)[NH3+] C01[X(C12H16Br1N4O2)] 99 C1 332 [NH3+][C@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)C(C)C [NH3+][C@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)C(C)C CC(C)[C@H]([NH3+])C(=O)Nc1cc2NC(=O)Nc2cc1Br InChIKey=IMYUHFFIMIXDRR-JTQLQIEISA-O InChI=1S/C12H15BrN4O2/c1-5(2)10(14)11(18)15-7-4-9-8(3-6(7)13)16-12(19)17-9/h3-5,10H,14H2,1-2H3,(H,15,18)(H2,16,17,19)/p+1/t10-/m0/s1 InChI=1/C12H15BrN4O2/c1-5(2)10(14)11(18)15-7-4-9-8(3-6(7)13)16-12(19)17-9/h3-5,10H,14H2,1-2H3,(H,15,18)(H2,16,17,19)/p+1/t10-/m0/s1/fC12H16BrN4O2/h14-17H/q+1 CC(C)[C@@H](C(=O)Nc1cc2c(cc1Br)[nH]c(=O)[nH]2)[NH3+] C01[X(C12H16Br1N4O2)] 99 C01 332 [NH3+][C@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br)C(C)C [NH3][C@H]([C]([NH][C]1[CH][C]2[C]([CH][C]1Br)NC(=O)N2)=O)C(C)C CC(C)[C@H]([NH3])C(=O)N[C]1[CH][C]2NC(=O)N[C]2[CH][C]1Br InChIKey=BDYZVAXNELCIPH-JTQLQIEISA-N InChI=1S/C12H16BrN4O2/c1-5(2)10(14)11(18)15-7-4-9-8(3-6(7)13)16-12(19)17-9/h3-5,10H,1-2,14H3,(H,15,18)(H2,16,17,19)/t10-/m0/s1 InChI=1/C12H16BrN4O2/c1-5(2)10(14)11(18)15-7-4-9-8(3-6(7)13)16-12(19)17-9/h3-5,10H,1-2,14H3,(H,15,18)(H2,16,17,19)/t10-/m0/s1/f/h15-17H 1859.6747728317 -3400.9892613 1-A 7856.7201 83 249 332 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.18213 -64.59306 -58.73217 -58.73036 -58.73013 -20.70113 -20.60956 -15.87487 -15.75358 -15.70240 -15.70157 -11.52570 -11.48003 -11.47228 -11.41152 -11.40991 -11.40846 -11.39609 -11.39468 -11.36887 -11.36277 -11.35851 -11.35829 -9.84068 -7.58964 -7.58111 -7.58073 -3.32862 -3.32455 -3.32416 -3.31416 -3.31415 -1.57605 -1.50928 -1.49753 -1.42027 -1.41259 -1.31163 -1.27800 -1.25681 -1.17342 -1.16115 -1.12453 -1.09152 -1.07834 -1.00641 -0.98259 -0.96985 -0.96403 -0.94908 -0.94279 -0.92739 -0.88540 -0.83933 -0.83753 -0.81779 -0.79133 -0.77825 -0.77627 -0.77311 -0.75852 -0.74547 -0.74243 -0.73556 -0.71921 -0.70359 -0.70236 -0.68795 -0.66281 -0.65507 -0.64969 -0.64045 -0.63704 -0.61955 -0.59236 -0.58624 -0.57945 -0.56063 -0.53097 -0.52539 -0.51022 -0.43717 -0.39464 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00188 0.01063 0.02540 0.04659 0.05729 0.06414 0.08143 0.10170 0.12488 0.14147 0.14351 0.14908 0.16031 0.16292 0.16548 0.17276 0.18585 0.18952 0.19597 0.20429 0.20853 0.21721 0.24807 0.25617 0.26755 0.27073 0.28241 0.29374 0.30516 0.32001 0.32928 0.35552 0.36930 0.37908 0.39243 0.41167 0.44087 0.46696 0.48564 0.51665 0.51762 0.52855 0.54518 0.54854 0.55380 0.56454 0.56655 0.57946 0.58748 0.59152 0.59808 0.60810 0.62609 0.63247 0.64013 0.65681 0.66654 0.68358 0.69120 0.69742 0.70599 0.70961 0.71386 0.73444 0.74233 0.75856 0.76922 0.77875 0.79490 0.80031 0.81019 0.82487 0.82634 0.83962 0.84418 0.86464 0.86717 0.88393 0.90389 0.90579 0.92067 0.92527 0.93302 0.95017 0.96206 0.96486 0.96697 0.97310 0.97865 0.98088 0.98852 1.01145 1.01397 1.02708 1.03177 1.04058 1.04394 1.04737 1.05676 1.06616 1.06914 1.08058 1.08920 1.09506 1.11001 1.13354 1.13625 1.15069 1.16767 1.17261 1.18276 1.20746 1.23492 1.23566 1.25183 1.26360 1.28659 1.29358 1.32925 1.33868 1.35981 1.38077 1.39634 1.43434 1.46126 1.46223 1.46677 1.48009 1.49625 1.52717 1.54424 1.55192 1.56516 1.58497 1.59096 1.61189 1.61734 1.62818 1.63891 1.66962 1.70063 1.71305 1.73483 1.74423 1.78130 1.80389 1.82065 1.84102 1.87378 1.89612 1.90976 1.91933 1.92230 1.93111 1.94369 1.97426 1.98668 2.01514 2.02372 2.02745 2.04683 2.05654 2.06933 2.07797 2.08320 2.09727 2.11401 2.12494 2.14479 2.15976 2.17838 2.18484 2.19480 2.21522 2.24391 2.25270 2.26495 2.27939 2.28776 2.30006 2.31182 2.33643 2.37034 2.40334 2.43690 2.44724 2.46135 2.46602 2.46907 2.49317 2.50693 2.51101 2.53010 2.54731 2.56373 2.58181 2.58651 2.60581 2.64188 2.66933 2.69768 2.71092 2.72857 2.75087 2.80381 2.81958 2.82675 2.83561 2.87905 2.91086 2.91630 2.92708 2.95790 2.96842 2.97584 3.00322 3.01664 3.05020 3.13772 3.16119 3.19779 3.20701 3.25843 3.27842 3.41983 3.45817 3.51256 3.57637 3.75003 4.03230 4.33758 4.35283 4.39423 4.40900 4.44509 4.47396 4.48425 4.50827 4.57584 4.59657 4.68204 4.73606 4.80735 4.85256 4.91100 5.05535 5.12378 9.20304 75.09277 10.78977 16.7719 -5.6971 2.6970 17.9172 |XX|YY|ZZ|XY|XZ|YZ| -62.8562 -93.2892 -118.8795 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327.04566 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| 16.1733 34.7205 50.7455 67.1779 92.9838 97.3337 140.0811 153.6511 166.4128 176.9472 226.4374 247.0876 257.4186 262.3137 276.1892 302.0634 306.1802 333.0188 379.1530 408.9759 424.4403 435.6905 438.0231 484.2921 495.6070 535.0268 564.5399 616.4182 620.4032 637.5491 716.1169 726.8155 754.3956 774.7835 808.6041 819.6406 848.0016 874.7091 880.5086 955.6696 975.9083 988.7063 1008.3228 1020.5642 1035.9913 1047.6875 1057.4517 1072.3613 1093.0911 1142.1385 1207.5584 1235.2688 1253.2353 1273.3217 1285.5562 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1.0514 7.5017 9.3418 1.0481 1.0489 1.0845 1.0931 1.0920 1.0886 1.1013 1.1039 1.0945 1.0940 1.0487 1.0774 1.0947 1.0785 1.0817 1.0822 0.0007 0.0036 0.0048 0.0132 0.0280 0.0338 0.0739 0.0146 0.0925 0.1421 0.0656 0.0587 0.0563 0.0858 0.3533 0.1862 0.2854 0.3890 0.2936 0.3857 0.3301 0.1288 0.3749 0.4480 0.7384 0.2072 0.8613 0.6919 0.3629 0.6615 1.1016 2.2858 2.1669 2.7379 1.5398 1.6793 4.8514 1.9133 1.6087 1.9070 1.2320 0.9981 0.8627 0.7143 1.3935 1.0105 2.6083 2.7025 2.3022 1.0131 1.2464 1.7816 2.0139 2.3767 6.0741 2.5980 1.8490 1.4973 1.9935 2.4637 1.8126 2.5654 6.8013 2.0356 1.8853 1.9147 2.0441 3.0832 1.8297 4.1336 1.8332 1.6893 1.6972 1.6940 4.5209 2.0860 4.1071 2.0347 10.0121 13.1808 2.0920 16.7272 22.8757 6.2957 6.3461 6.7301 6.8609 6.9249 6.9563 7.0801 7.1314 7.5149 7.5611 7.9050 8.7088 9.1118 9.4114 9.7029 9.7267 0.3443 1.1025 0.7221 1.8376 7.3478 6.1218 5.8928 3.8483 4.4240 7.6822 4.0051 4.7780 0.4859 1.2843 1.4844 11.9514 0.7966 3.3741 4.6444 87.0109 41.2717 0.4749 29.1283 3.6521 9.3411 224.2598 13.5433 13.0487 48.8244 65.0049 8.1900 16.7414 1.8751 10.0347 0.6525 1.5361 42.2210 13.7062 3.1405 7.8887 24.3338 15.6601 37.5918 1.1348 39.6984 6.9811 10.8206 95.8963 12.8226 16.1973 22.6888 5.1282 36.8021 8.8059 42.2702 59.3860 0.8416 32.1341 96.9754 9.2781 21.3528 31.5128 133.6471 15.3364 3.0115 6.1094 30.6974 99.0663 10.4894 48.7594 2.1543 34.9729 10.6150 3.9905 342.9223 323.6891 297.1895 53.0245 141.9272 11.3618 68.2172 273.8107 1399.7996 23.6699 30.8623 1.5456 22.6638 24.1978 7.6730 8.1904 11.2246 0.9535 0.4327 93.6585 154.4364 113.8050 59.6073 170.9827 116.2848 0.8881 1.4860 0.5202 2.3969 1.0698 1.0111 0.8819 0.8248 0.1961 0.8640 0.2664 0.2431 0.8804 0.7335 4.1732 5.0205 0.6687 0.9382 0.8694 1.1121 2.3693 0.9983 2.0170 0.7216 1.1624 0.0143 1.9870 2.9096 3.1759 0.6768 6.4557 3.4371 4.7174 11.2132 0.3723 0.9516 0.5663 0.6704 8.2202 10.2609 2.7438 2.8989 1.6886 0.7820 12.7411 4.3529 1.1494 6.6223 2.9265 3.7204 4.9507 4.3528 8.4207 3.0774 8.9710 0.8872 2.6273 1.2175 3.8627 15.7915 8.7738 6.7175 22.7685 2.9966 6.7995 5.2642 29.8523 52.1227 0.9530 36.7378 15.8050 7.5945 6.9589 25.3112 36.4846 6.5556 11.7406 7.8700 2.8543 90.0551 4.2551 17.8359 6.6518 58.9580 140.4585 81.0796 25.5065 51.7308 68.2305 61.7936 77.8626 59.1007 63.1037 40.7629 42.7413 36.1374 36.2203 95.8252 107.4038 0.6903 0.7002 0.7346 0.6727 0.7433 0.7316 0.5419 0.5120 0.7476 0.6424 0.7366 0.2137 0.2651 0.4075 0.3260 0.1801 0.6205 0.5683 0.4456 0.7115 0.5298 0.7454 0.6348 0.6377 0.7235 0.7488 0.6320 0.7292 0.5576 0.7138 0.1227 0.1270 0.0705 0.1026 0.5394 0.7163 0.7480 0.7425 0.0453 0.2619 0.6974 0.7111 0.7444 0.7332 0.4018 0.6838 0.6095 0.1110 0.6200 0.7127 0.5208 0.6649 0.4071 0.6717 0.7368 0.4007 0.2939 0.5808 0.7440 0.1162 0.7488 0.2049 0.5403 0.4706 0.7485 0.2550 0.3593 0.2518 0.5779 0.3315 0.5880 0.7056 0.6670 0.6375 0.3272 0.7257 0.3435 0.4896 0.3505 0.6830 0.7487 0.2802 0.5034 0.0510 0.0750 0.7309 0.3051 0.2821 0.1646 0.6420 0.6797 0.3097 0.2986 0.0211 0.2566 0.7158 0.1060 0.3171 0.1921 0.8168 0.8237 0.8470 0.8043 0.8528 0.8450 0.7029 0.6773 0.8556 0.7823 0.8484 0.3522 0.4191 0.5790 0.4917 0.3053 0.7658 0.7247 0.6165 0.8314 0.6927 0.8541 0.7766 0.7788 0.8395 0.8563 0.7745 0.8434 0.7160 0.8330 0.2186 0.2254 0.1316 0.1861 0.7008 0.8347 0.8558 0.8522 0.0867 0.4150 0.8217 0.8312 0.8535 0.8461 0.5733 0.8122 0.7574 0.1999 0.7654 0.8323 0.6849 0.7987 0.5787 0.8036 0.8484 0.5722 0.4543 0.7349 0.8532 0.2082 0.8564 0.3401 0.7015 0.6400 0.8562 0.4063 0.5287 0.4023 0.7325 0.4979 0.7406 0.8274 0.8003 0.7786 0.4931 0.8410 0.5113 0.6573 0.5191 0.8117 0.8563 0.4378 0.6697 0.0970 0.1396 0.8445 0.4675 0.4401 0.2827 0.7820 0.8093 0.4729 0.4598 0.0413 0.4084 0.8343 0.1916 0.4815 0.3223 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 6 6 1 6 8 7 6 6 6 6 6 6 35 7 1 6 8 7 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 14.00307 1.00783 12.00000 15.99491 14.00307 1.00783 14.00307 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 3654.9128 11001.7099 13988.4219 0.99978 -0.02080 -0.00332 0.02077 0.99975 -0.00802 0.00348 0.00795 0.99996 1 0.02370 0.00787 0.00619 0.49378 0.16404 0.12902 23.27 49.95 73.01 96.65 133.78 140.04 201.55 221.07 239.43 254.59 325.79 355.50 370.37 377.41 397.37 434.60 440.53 479.14 545.52 588.43 610.67 626.86 630.22 696.79 713.07 769.78 812.25 886.89 892.62 917.29 1030.33 1045.73 1085.41 1114.74 1163.40 1179.28 1220.09 1258.51 1266.86 1375.00 1404.11 1422.53 1450.75 1468.36 1490.56 1507.39 1521.44 1542.89 1572.71 1643.28 1737.41 1777.28 1803.13 1832.03 1849.63 1877.36 1894.33 1960.17 1984.59 2033.08 2067.97 2101.14 2118.95 2155.92 2168.75 2223.53 2256.49 2261.24 2290.14 2331.92 2334.42 2358.87 2368.53 2375.48 2392.65 2399.41 2495.96 2581.32 2606.97 2628.20 2644.10 2798.98 2933.18 4594.02 4610.62 4669.43 4696.05 4720.30 4738.27 4752.59 4764.15 4911.59 4927.70 5146.37 5329.27 5407.74 5537.21 5613.99 5619.52 0.306785 0.324654 0.325599 0.258621 -3400.682477 -3400.664607 -3400.663663 -3400.730640 2.246420D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE CC(C)[C@@H](C(=O)Nc1cc2c(cc1Br)[nH]c(=O)[nH]2)[NH3+] C37034028 RHF 6-31G(d) (6D,10F) C1 327.045662 |X|Y|Z| 76.421362 41.476942 17.212146 37.927321 9 6 7 7 2 |36.858105| |12.423454|36.858105| |7.494716|12.416082|36.858105| |7.486194|12.313428|7.415953|36.858105| |7.066743|8.773771|5.449014|17.614358|0.500000| |4.858942|7.408284|6.161757|12.400717|0.243454|36.858105| |4.055557|5.688075|5.597438|8.079301|0.169068|15.838926|73.516695| |4.259868|6.044041|4.951047|7.869817|0.199322|14.283676|14.924952|53.358707| |3.301505|4.358084|3.988041|5.035590|0.129888|7.763213|11.673451|18.209210|36.858105| |2.792400|3.527385|3.359458|4.176053|0.108488|6.205822|11.161089|10.594726|13.636055|36.858105| |2.366979|2.888205|2.826134|3.238905|0.085186|4.345762|7.939028|7.046173|8.043933|13.913180|36.858105| |2.270823|2.740333|2.694590|2.930080|0.077563|3.741816|6.558394|6.209919|6.921920|7.880844|13.590850|36.858105| |2.507219|3.058599|2.968131|3.165659|0.083898|3.982813|6.615346|6.980170|7.851754|6.742909|7.891580|13.909663|36.858105| |3.056048|3.898819|3.647340|4.071298|0.106950|5.362452|8.279324|10.710088|13.775920|7.895785|6.964186|8.070526|13.668562|36.858105| |3.493606|4.358585|3.927992|4.065915|0.108998|4.633427|6.830774|8.466873|6.661100|4.566834|4.108379|4.637215|6.718813|10.018658|2539.412838| |1.953679|2.295673|2.286002|2.432933|0.064833|2.984811|5.350097|4.693139|4.643451|5.390217|8.548998|13.824408|7.581897|5.142921|121.238821|53.358707| |1.830972|2.123726|2.121982|2.211553|0.059181|2.643656|4.699851|4.120280|3.908694|4.270469|5.957919|8.932796|6.547138|4.482218|114.096205|26.065772|0.500000| |1.853287|2.163580|2.161315|2.339811|0.062368|2.873676|5.309234|4.362287|4.153537|5.261307|8.372787|8.376860|5.261263|4.163789|101.642205|18.792292|0.254194|36.858105| |1.665739|1.913574|1.920729|2.056543|0.055060|2.461169|4.569177|3.650152|3.305826|4.022466|5.563624|5.563940|4.020905|3.311745|86.072593|11.242506|0.201198|16.043177|73.516695| |2.050057|2.432212|2.412267|2.711986|0.071871|3.461819|6.533721|5.243405|5.134708|7.589823|13.826170|8.554333|5.394063|4.661766|108.341917|11.862778|0.168733|13.796831|14.689714|53.358707| |1.984879|2.334902|2.319004|2.640116|0.070080|3.336969|6.459844|4.866704|4.478784|6.553714|8.931421|5.960296|4.273016|3.922198|95.944914|8.270459|0.130796|9.153391|12.895620|26.073896|0.500000| |6.116664|7.557764|6.340878|12.644479|0.252780|7.931355|13.346643|7.171689|3.925566|3.582066|2.866141|2.552745|2.657013|3.224311|106.045337|2.974339|0.055325|2.155523|3.424722|3.403267|0.069322|53.358707| |4.972688|5.646357|4.758427|9.059060|0.232470|6.801411|11.774115|6.609089|3.707449|3.502430|2.806942|2.467198|2.526668|3.020153|97.349818|2.899707|0.053823|2.128115|3.398066|3.380898|0.069755|25.674341|0.500000| |5.029557|6.503631|6.492834|9.262405|0.183703|8.079455|16.762990|7.032515|4.034932|3.793050|3.031947|2.664000|2.731782|3.278263|104.212100|3.108823|0.057520|2.271514|3.604307|3.617044|0.074105|25.488639|0.326306|0.500000| |6.977874|7.331227|6.375547|9.013088|0.204149|5.801867|9.814527|5.830949|3.329072|3.036038|2.509190|2.281741|2.388960|2.850801|97.133905|2.695325|0.050678|1.946885|3.123449|3.019553|0.061420|25.709093|0.324202|0.318490|0.500000| |17.595015|8.840989|6.868777|5.477749|0.143797|4.047102|6.180126|5.053302|3.013837|2.551560|2.211775|2.163126|2.411064|2.894342|116.898866|2.552769|0.049287|1.765224|2.832325|2.620375|0.051504|6.317741|0.108422|0.113398|0.144047|0.500000| |17.559321|8.720630|5.451796|6.893991|0.214384|4.564064|6.645585|5.705756|3.231552|2.734080|2.318520|2.225796|2.458520|2.994364|117.219192|2.609825|0.049965|1.819349|2.910297|2.736847|0.054111|7.485844|0.133932|0.122955|0.166491|0.302402|0.500000| |17.505949|8.674373|6.761094|6.587248|0.169846|4.389060|6.893586|5.054672|2.951758|2.583766|2.204841|2.092996|2.264696|2.700398|100.779169|2.482215|0.047476|1.752062|2.821160|2.641554|0.052754|8.938422|0.147841|0.148178|0.240593|0.304440|0.300661|0.500000| |8.937808|17.561363|8.942198|9.056270|0.213111|7.032115|9.217661|9.257742|4.889870|3.731511|3.069078|2.987346|3.461407|4.580109|191.942624|3.351265|0.063462|2.272877|3.544166|3.448515|0.066466|7.608921|0.127089|0.140083|0.145865|0.216332|0.212264|0.172927|0.500000| |6.777426|8.693849|17.517730|6.550229|0.137378|5.337395|9.333426|5.677452|3.439058|3.038376|2.582004|2.428624|2.605178|3.104470|109.784427|2.857550|0.054193|2.019347|3.225569|3.071095|0.061155|9.357606|0.140522|0.203886|0.210068|0.168991|0.138593|0.199668|0.173199|0.500000| |5.447959|8.695699|17.586513|6.781052|0.138403|6.933213|11.886138|7.531859|4.629000|3.883151|3.239597|3.069733|3.374078|4.179455|144.838219|3.495404|0.065618|2.419823|3.782592|3.707890|0.072226|7.859457|0.124824|0.178866|0.148815|0.140435|0.121796|0.138296|0.211877|0.300909|0.500000| |6.886678|8.860010|17.597593|5.455170|0.123021|4.721126|7.677216|5.648573|3.514640|2.966678|2.575966|2.523284|2.816498|3.386984|131.064391|2.948485|0.056603|2.027514|3.224506|3.019400|0.058890|6.452659|0.105495|0.132355|0.136801|0.206933|0.140725|0.169034|0.216889|0.303996|0.302727|0.500000| |4.627697|6.356856|4.781269|7.628072|0.217443|9.509864|10.846127|26.019073|9.269451|5.870975|4.355677|4.082895|4.789323|7.282344|242.227147|4.297669|0.078750|2.891995|4.363977|4.563662|0.086347|6.644037|0.125469|0.126161|0.114789|0.112276|0.131703|0.107717|0.218500|0.110393|0.139505|0.115191|0.500000| |2.797008|3.499812|3.323625|4.360323|0.113238|6.549099|12.879699|9.683997|8.864977|17.780778|8.914521|5.608190|4.888935|5.629732|129.422498|5.942012|0.099211|4.576053|6.559206|9.072669|0.183347|5.333320|0.109470|0.116920|0.090355|0.069912|0.076164|0.073220|0.098996|0.085769|0.105319|0.080103|0.148781|0.500000| |2.345821|2.794542|2.730342|2.805676|0.074936|3.363504|5.583577|5.677460|5.613183|4.887915|5.606374|8.893003|17.765702|8.873377|221.437524|9.037087|0.182548|4.566548|6.543689|5.936268|0.099144|3.235371|0.062696|0.067425|0.060382|0.063740|0.064007|0.058816|0.088295|0.066721|0.084803|0.073733|0.113093|0.106500|0.500000| 3399.431838 -11792.233959 3330.506241 -200.579914 -5262.875793 1859.674907 -3403.200887 2.001109 4037FFFFFFFFFFF1 42EC6763E177A1BC 4275C547F4DC75D5 40B254FFFFFFFFFF 3BD79CA100000000 4163DE8CBFFFFFFF