HMDB0002381 RDKit 3D N-Acetylcystathionine 33 32 0 0 0 0 0 0 0 0999 V2000 -4.7386 -0.8333 2.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 -0.8360 1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 -1.0578 2.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 -0.6046 0.3364 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0718 -0.6230 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7688 0.7264 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 0.7173 -1.7298 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1071 0.5157 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.5001 -1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5524 0.3322 0.0365 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5178 1.3949 1.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 0.3971 -0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1736 -0.4500 -1.5505 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 1.3506 -0.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -1.6727 -1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 -2.4153 -1.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -1.8576 -2.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 -0.5922 3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2439 -1.8194 2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 -0.0324 2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2566 -0.4237 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 -0.8250 0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 1.0207 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 1.4704 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9884 1.3656 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -0.4463 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 1.4865 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 -0.2721 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 -0.6555 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 2.1823 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 1.0707 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 1.2985 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8136 -1.8523 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 5 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 1 11 30 1 0 11 31 1 0 14 32 1 0 17 33 1 0 M END