HMDB0028882 RDKit 3D Histidylcysteine 31 31 0 0 0 0 0 0 0 0999 V2000 -1.6551 2.0424 0.6789 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9718 0.7902 0.5808 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5253 -0.0684 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 -0.3404 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4473 -1.4270 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7824 -1.3333 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 -0.2257 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 0.4064 -0.7415 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 1.0146 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 2.2072 0.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -0.0721 0.1945 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 0.1547 -0.0496 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5141 -0.4093 1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3017 -0.1397 0.8831 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -0.4625 -1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -1.1145 -2.0776 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5685 -0.3138 -1.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 2.8498 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 2.1590 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.2575 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -1.0085 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 0.4763 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -2.2215 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -2.0310 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1637 0.0836 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 -1.0465 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 1.2379 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 -1.4783 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 0.1302 2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 0.9965 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 -1.1139 -1.8597 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 1 0 7 8 2 0 2 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 2 0 15 17 1 0 8 4 1 0 1 18 1 0 1 19 1 0 2 20 1 1 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 11 26 1 0 12 27 1 6 13 28 1 0 13 29 1 0 14 30 1 0 17 31 1 0 M END