HMDB0060562 RDKit 3D Captopril-cysteine disulfide 41 41 0 0 0 0 0 0 0 0999 V2000 -0.4340 0.5012 1.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -0.8616 0.4937 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7258 -1.5263 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7814 -0.5143 -0.7387 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6849 -1.3946 -0.9743 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8505 -0.8205 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 0.6713 0.1157 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7245 0.9227 -1.1841 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 1.0372 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 1.4883 0.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 0.8878 2.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 -0.8632 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 -1.2716 -1.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 -0.4256 -0.7949 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 -0.3966 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4834 0.7812 -1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 1.2053 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5671 0.0556 0.2803 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5680 -0.9677 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 -2.0706 0.1049 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4857 -0.6974 1.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 1.3064 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 0.5762 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 0.7559 1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 -1.4675 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 -2.5739 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -1.4860 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7843 -1.3756 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 -0.9206 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 1.2676 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0252 1.2210 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4652 1.6624 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 1.5035 2.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -0.2548 -2.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1781 -1.2950 -2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1491 1.5993 -2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 0.5281 -1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3248 1.3341 0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7314 2.1577 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 0.3889 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4949 -0.6681 1.5316 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 1 3 26 1 0 3 27 1 0 6 28 1 0 6 29 1 0 7 30 1 1 8 31 1 0 8 32 1 0 11 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 1 21 41 1 0 M END