HMDB0003543 RDKit 3D Butanal 13 12 0 0 0 0 0 0 0 0999 V2000 -1.2744 0.8200 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 -0.4385 -0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 -0.7594 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 0.1942 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 0.8230 -1.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 1.3812 0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9881 0.5547 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 1.3573 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -1.2903 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 -0.4423 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 -0.8065 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -1.7473 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 0.3539 0.5396 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 2 0 1 6 1 0 1 7 1 0 1 8 1 0 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 4 13 1 0 M END