HMDB0029107 RDKit 3D Tyrosyl-Histidine 41 42 0 0 0 0 0 0 0 0999 V2000 -1.0659 -1.4710 2.5013 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9121 -1.9861 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 -1.7932 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -0.4262 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 0.2881 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4965 1.5723 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4022 2.1687 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 3.4701 -0.6489 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8662 1.4440 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4313 0.1630 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -1.5384 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 -1.0152 1.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 -1.6596 -0.7079 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 -1.3005 -1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 0.1134 -1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2828 1.0749 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 1.8277 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 2.5969 0.9736 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9824 2.3280 1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 1.4240 0.2088 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -1.7989 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0335 -2.4898 0.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 -1.5186 -0.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.4249 3.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5326 -0.5182 2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -3.1281 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 -2.3502 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 -2.2994 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.1748 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 2.1531 -2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 3.8781 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5886 1.8973 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8056 -0.4035 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0536 -2.0900 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 -1.9087 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 0.4523 -2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 0.1503 -2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 1.8617 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6442 2.7693 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 1.0372 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1984 -1.3749 -0.2366 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 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 14 21 1 0 21 22 2 0 21 23 1 0 10 4 1 0 20 16 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 6 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 23 41 1 0 M END