HMDB0029416 RDKit 3D L-Targinine 29 28 0 0 0 0 0 0 0 0999 V2000 4.6024 1.1086 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 0.7622 -0.8894 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 -0.2289 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -1.4514 -0.4577 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 0.0908 0.9714 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2949 0.1892 0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -1.1218 0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8546 -1.0559 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -0.2202 -0.4066 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1878 1.1670 -0.4164 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -0.3740 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -1.4976 -0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 0.7456 -0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 0.4164 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 2.1377 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 1.0712 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 1.2289 -1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 -2.1967 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 0.2643 1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 0.8910 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 0.6141 1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -1.5637 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 -1.9054 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2181 -0.6716 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3061 -2.0948 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.6062 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 1.7457 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 1.5835 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4974 0.9719 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 6 10 27 1 0 10 28 1 0 13 29 1 0 M END