HMDB0000455 RDKit 3D Allocystathionine 28 27 0 0 0 0 0 0 0 0999 V2000 -3.9659 -0.7247 1.2751 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 -0.6439 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -0.8458 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7879 -0.7175 -1.1927 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9978 -0.9394 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 0.2175 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 0.1663 0.0882 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3808 -1.0066 0.8168 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 1.3766 0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 1.2468 2.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 2.6315 0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 0.6944 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 1.5782 -0.0995 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5553 0.9241 -1.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 0.2262 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -1.2177 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5162 -1.3958 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -1.8694 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 -0.0848 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 -0.9594 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 -1.8765 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 0.2744 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 1.1891 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 0.2630 -0.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -1.6269 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 -1.4904 0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 2.9136 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.6972 -1.8034 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 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 6 8 25 1 0 8 26 1 0 11 27 1 0 14 28 1 0 M END