HMDB0028689 RDKit 3D Alanylhistidine 30 30 0 0 0 0 0 0 0 0999 V2000 -3.9594 -0.4634 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3494 0.9197 0.1810 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1113 1.9065 -0.4979 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 0.8717 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 1.6434 -1.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -0.0489 0.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3144 -0.1279 -0.3244 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2310 0.2137 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 0.1737 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 -0.8727 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -0.4583 0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 0.8304 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 1.2184 -0.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -1.5078 -0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 -2.4026 -0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.9014 -1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 -1.0940 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0278 -0.4688 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7614 -0.8806 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 1.2222 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9406 2.2545 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5689 2.6485 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 -0.6893 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 0.6164 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9548 1.2113 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -0.5082 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3595 -1.8618 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 -1.0299 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 1.4478 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 -2.8627 -1.4257 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 14 16 1 0 13 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 1 3 21 1 0 3 22 1 0 6 23 1 0 7 24 1 6 8 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 16 30 1 0 M END