HMDB0250712 RDKit 3D Cystine 26 25 0 0 0 0 0 0 0 0999 V2000 -3.3367 0.7235 -0.9419 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7399 0.0701 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4904 0.7625 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 0.8534 -0.5789 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 -1.1134 -0.9955 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -1.5992 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.8998 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1299 -1.3874 0.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9628 0.5484 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4232 1.1187 0.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 1.3186 -1.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7279 -0.0257 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -0.5630 2.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 0.4995 1.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 0.5061 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4757 1.7471 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 -0.9623 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 0.2403 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 1.8077 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 -2.7252 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 -1.4339 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 -1.2294 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 -0.7867 0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -1.1877 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 2.2778 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 1.4401 0.7236 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 14 26 1 0 M END