HMDB0028691 RDKit 3D Alanylleucine 32 31 0 0 0 0 0 0 0 0999 V2000 2.9142 -0.1289 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 -0.8902 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4378 -0.8530 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0137 -0.7398 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 0.5680 -0.1627 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0148 0.2605 -0.4624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0723 0.8156 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 1.5976 1.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 0.4875 -0.0475 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1561 -0.2092 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -0.4365 -1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 1.1998 -1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 1.2791 -2.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.7306 -1.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 0.8528 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 -0.6653 2.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1776 0.0029 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 -1.9979 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 -0.8491 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1269 -1.7447 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1315 0.0235 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 -1.2459 0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 -1.3912 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 1.2666 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 -0.3856 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0788 1.3866 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 0.1764 2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 -1.3095 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2386 -0.0348 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -0.0405 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -1.3569 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 2.6317 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 5 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 1 6 25 1 0 9 26 1 6 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 M END