HMDB0028922 RDKit 3D Leucylalanine 32 31 0 0 0 0 0 0 0 0999 V2000 -3.9988 -1.0208 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -0.1493 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.2842 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.6588 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 0.1343 0.9453 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6866 1.4841 0.5384 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -0.4871 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 -1.7015 1.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 0.1981 0.1131 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0379 -0.4675 -0.1021 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3881 -0.5239 -1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1038 0.2384 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 1.2534 1.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3942 -0.2565 0.5556 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0267 -1.0130 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -2.0449 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -0.6044 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 -0.2324 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3079 1.4801 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 1.4465 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 2.0102 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6325 -1.7056 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -0.6643 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 0.0601 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 1.7260 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6571 2.1996 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 1.1988 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -1.4995 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -0.9160 -2.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -1.1987 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6616 0.4857 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 -0.0552 -0.2820 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 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 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 6 26 1 0 9 27 1 0 10 28 1 1 11 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 M END