HMDB0304808 RDKit 3D Phe-Pro-Ile 56 57 0 0 0 0 0 0 0 0999 V2000 4.3648 2.7553 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 1.3348 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 0.4706 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 0.5088 1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 -0.9441 0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4781 -1.0534 -0.6065 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -1.6715 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0406 -2.3361 0.6332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 -1.6704 -1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -0.8903 -2.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 -0.1619 -3.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 0.1111 -2.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -1.1485 -1.3577 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 -1.7608 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -2.8970 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1513 -1.1499 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 -2.1056 0.5031 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 0.0816 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 0.7456 0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6772 1.7356 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 2.4044 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6107 2.0682 1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1443 1.0896 2.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9619 0.4124 2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 -1.5320 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 -2.0399 -1.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 -1.5604 0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 3.0310 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 3.4531 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4337 3.0166 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 1.3044 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 0.9160 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 0.9040 1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 -0.4499 2.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 1.3006 2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8252 0.6527 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1785 -1.5563 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.9088 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 -2.7416 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -0.1195 -2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 -1.5275 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8707 -0.7970 -3.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.7921 -3.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 0.8830 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 0.3937 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6788 -0.8102 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0435 -3.0085 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -2.1703 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 0.7784 0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 -0.1942 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1338 2.0480 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2153 3.1888 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5471 2.6092 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 0.8426 3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6193 -0.3731 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8234 -1.2534 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 5 25 1 0 25 26 2 0 25 27 1 0 13 9 1 0 24 19 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 20 51 1 0 21 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 27 56 1 0 M END