HMDB0029140 RDKit 3D Valylvaline 35 34 0 0 0 0 0 0 0 0999 V2000 4.2486 0.8621 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 0.4372 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -0.7240 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 -0.0649 -0.7062 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6950 1.0078 -1.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 -0.6468 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9656 -1.5939 0.7342 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -0.1434 -0.3842 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 -0.6538 0.1868 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5841 -1.2709 -0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2102 -1.2947 -2.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8113 -1.8301 -0.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 0.3577 1.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7961 1.6044 0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 -0.3012 1.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 0.7836 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 0.1863 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 1.9036 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 1.2507 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3035 -1.6542 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4867 -0.5912 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7761 -0.8051 2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -0.8920 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 0.7034 -2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 1.7916 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 0.6414 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -1.4874 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 -2.8417 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 0.6219 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 2.4313 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0551 1.9233 -0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8356 1.5592 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 0.2249 2.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4601 -1.3783 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4941 -0.1165 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 6 5 24 1 0 5 25 1 0 8 26 1 0 9 27 1 1 12 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END