HMDB0028878 RDKit 3D Histidylalanine 30 30 0 0 0 0 0 0 0 0999 V2000 3.6565 -0.1355 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 0.5667 0.2900 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2358 -0.3795 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 -0.6183 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 0.0198 2.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8595 -1.5869 0.7564 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8551 -1.5900 1.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 -1.4223 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 -0.1589 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 0.2015 -1.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4187 1.4264 -1.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 1.8770 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 0.8941 0.0319 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 1.5996 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4047 1.6038 -1.6807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 2.6247 -0.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8816 -0.5457 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 -1.0216 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 0.5268 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 1.0564 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -0.8814 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 -2.6172 0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -1.0874 2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 -2.5087 2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -2.2492 -0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.6668 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -0.4200 -2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 2.8320 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0024 0.9821 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.6783 -0.0996 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 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 2 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 6 22 1 6 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 16 30 1 0 M END