HMDB0000043 RDKit 3D Betaine 20 19 0 0 0 0 0 0 0 0999 V2000 -0.2244 -1.4792 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 -0.0854 -0.0967 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6546 0.2771 -0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 0.2771 1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.6588 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 0.2029 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -0.6824 1.0948 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 0.7946 -0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.6593 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1175 -1.9448 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 -1.9751 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 -0.2407 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 1.3738 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5756 -0.1447 -1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 1.1142 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0409 0.6391 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -0.5480 1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 0.4025 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 1.7512 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6302 1.2684 0.6373 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 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 3 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 8 20 1 0 M CHG 1 2 1 M END