HMDB0028777 RDKit 3D Cysteinyl-Histidine 31 31 0 0 0 0 0 0 0 0999 V2000 3.3132 1.2524 -0.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -0.0789 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 -0.9894 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7151 -0.4073 -0.1097 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 -0.5489 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 -1.6834 -0.9727 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7574 0.2874 0.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -0.1479 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5508 0.7205 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9552 0.2878 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -0.6645 -1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8219 -0.7752 -0.8579 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 0.0737 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 0.7277 0.3948 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -0.1547 1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.2270 2.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 -0.5744 2.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7969 1.9883 -0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 1.3205 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -0.1813 -1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 -0.7735 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 -2.0436 -0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8068 0.4537 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0316 1.2253 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 -1.1872 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 1.7840 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 0.7577 -1.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0972 -1.2296 -2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9393 0.2363 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 1.4646 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 -1.3670 2.6365 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 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 8 15 1 0 15 16 2 0 15 17 1 0 14 10 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 17 31 1 0 M END