HMDB0029054 RDKit 3D Threonylalanine 27 26 0 0 0 0 0 0 0 0999 V2000 2.6330 1.0298 -1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2284 -0.3606 -0.7765 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0460 -0.1872 0.0152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 -0.7858 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 -1.4851 -1.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 -0.6040 0.4792 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0992 0.2245 1.5991 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.0476 -0.4009 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8032 0.1198 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 1.1901 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -0.8974 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 -1.1477 1.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -1.1378 -0.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 1.5181 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9323 1.6056 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 0.8974 -2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -1.0028 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 0.4074 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -1.6033 0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9775 1.2212 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 0.0746 2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 -0.7394 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3754 -0.8461 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4432 0.8863 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 0.4407 1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 1.6638 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 -0.4346 -0.6816 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 4 5 2 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 2 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 6 3 18 1 0 6 19 1 1 7 20 1 0 7 21 1 0 8 22 1 6 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 13 27 1 0 M END