HMDB0011757 RDKit 3D N-Acetylvaline 24 23 0 0 0 0 0 0 0 0999 V2000 -3.2710 -0.8844 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -0.0946 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1594 0.5194 1.7055 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 -0.0554 -0.1971 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 0.6177 0.2909 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3659 1.9841 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2526 2.4793 -0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 2.9896 0.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3626 -0.3139 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 -1.6892 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 0.1899 -0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -1.9810 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -0.7048 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 -0.7769 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.5117 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2173 0.5984 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 3.5816 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 -0.5394 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -1.6429 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2829 -2.0923 0.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -2.4235 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -0.7264 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 0.8342 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2803 0.6424 0.3742 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 2 0 6 8 1 0 5 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 4 15 1 0 5 16 1 1 8 17 1 0 9 18 1 0 10 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 11 24 1 0 M END