HMDB0029063 RDKit 3D Threonylhistidine 34 34 0 0 0 0 0 0 0 0999 V2000 -2.9749 -0.1295 1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 0.0007 -0.1234 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2401 0.8067 -0.3648 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9413 0.6410 -0.8199 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3329 0.6787 -2.2394 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 -0.2131 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 -0.8004 -1.7839 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 -0.3794 0.4904 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1626 -1.1983 0.5935 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4240 -0.4518 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 0.5816 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5059 0.4001 -1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5674 1.5382 -1.9236 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 2.4306 -1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 1.8631 -0.1216 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 -2.3142 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 -2.4139 2.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -3.2475 1.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 -0.9965 1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0173 -0.2495 1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 0.7783 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2797 -0.9950 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 1.7385 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 1.6743 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 1.2265 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4841 -0.3126 -2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 0.1440 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -1.6524 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 0.0353 1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -1.1825 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9616 -0.5612 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 3.4547 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 2.3198 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9039 -3.2141 1.4387 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 12 13 1 0 13 14 2 0 14 15 1 0 9 16 1 0 16 17 2 0 16 18 1 0 15 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 6 3 23 1 0 4 24 1 1 5 25 1 0 5 26 1 0 8 27 1 0 9 28 1 6 10 29 1 0 10 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 18 34 1 0 M END