HMDB0029057 RDKit 3D Threonylaspartic acid 30 29 0 0 0 0 0 0 0 0999 V2000 -3.5487 1.3449 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 0.5275 -0.1542 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6016 -0.2424 -1.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 1.4467 -0.4768 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4812 2.3203 -1.5882 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 0.5911 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 0.6986 -1.9734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 -0.3577 0.0906 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 -1.2122 -0.2421 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6976 -1.0439 0.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 0.3430 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 1.2307 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1524 0.6925 1.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 -2.6395 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -2.9724 0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.6430 -0.4801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1888 2.1892 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2093 0.7257 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0438 1.7686 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0589 -0.0954 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1074 -1.0397 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 2.0528 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 3.2408 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 1.9327 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -0.4467 1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 -0.9971 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 -1.7304 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -1.3049 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 0.9975 2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 -4.3772 0.1668 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 1 3 21 1 0 4 22 1 1 5 23 1 0 5 24 1 0 8 25 1 0 9 26 1 6 10 27 1 0 10 28 1 0 13 29 1 0 16 30 1 0 M END