HMDB0304807 RDKit 3D Phe-Phe-Pro-Arg 80 82 0 0 0 0 0 0 0 0999 V2000 7.3414 2.2328 2.8017 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 2.0211 2.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6433 1.0204 3.8362 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 2.7973 2.2209 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 2.2897 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 1.4034 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 0.1566 0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 -0.6572 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -1.0986 -1.2098 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 -1.4584 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -1.4268 0.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 -1.8992 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -1.8488 -3.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 -0.6682 -3.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 0.0953 -2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6755 -1.0067 -1.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.1853 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6334 -2.2310 -0.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 -0.3026 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 -0.4165 -2.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 -1.7576 -2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 -2.1130 -2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8011 -3.3767 -2.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0794 -4.3221 -2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8269 -3.9849 -3.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -2.7193 -3.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6658 -0.6661 0.1308 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 0.1866 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6008 1.4641 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4824 -0.2056 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8649 -0.1463 1.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 0.5760 2.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 2.0173 2.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 2.6362 2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 4.0012 2.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 4.7617 2.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 4.1374 2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 2.7888 2.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -1.7811 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2341 -1.5400 0.4086 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 -3.0995 -0.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0684 1.6958 3.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7894 0.0178 3.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 1.2797 4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 3.8414 2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 1.7863 2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 3.1699 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 1.9897 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 1.1529 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6233 -0.4020 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0342 0.5091 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8036 -0.0040 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 -2.2067 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5909 -2.9405 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 -1.6208 -3.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 -2.7944 -3.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 -1.0023 -4.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 -0.0281 -4.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9822 0.5970 -2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 0.7915 -2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 0.7383 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3102 0.3603 -2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 -0.1060 -3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 -1.3893 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7949 -3.6194 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 -5.3072 -3.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -4.7268 -3.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3215 -2.5062 -3.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 1.8241 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 -1.2603 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3545 -1.0003 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 0.1235 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 0.1088 3.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 0.3894 3.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6025 2.0477 3.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7426 4.4918 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6971 5.8334 2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 4.6944 2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 2.3039 2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -3.5073 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 19 27 1 0 27 28 2 3 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 8 39 1 0 39 40 2 0 39 41 1 0 16 12 1 0 26 21 1 0 38 33 1 0 1 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 7 51 1 0 8 52 1 0 11 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 22 64 1 0 23 65 1 0 24 66 1 0 25 67 1 0 26 68 1 0 29 69 1 0 30 70 1 0 31 71 1 0 31 72 1 0 32 73 1 0 32 74 1 0 34 75 1 0 35 76 1 0 36 77 1 0 37 78 1 0 38 79 1 0 41 80 1 0 M END