HMDB0014382 RDKit 3D Butabarbital 31 31 0 0 0 0 0 0 0 0999 V2000 3.4099 -0.9809 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -1.1945 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 0.1439 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 0.9796 -1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2774 0.1010 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -0.6655 1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -0.7298 1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 1.5389 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0728 2.3939 0.8109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0263 1.9596 -0.0339 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 1.1547 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0022 1.5377 -1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 -0.0980 -1.3556 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0222 -0.4967 -0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 -1.4069 -1.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 -0.4928 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 -0.3934 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 -1.9897 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6717 -1.7638 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 -1.8465 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 0.6337 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 1.6558 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 1.6064 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 0.3259 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2426 -0.1704 2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 -1.7020 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2957 -1.3727 2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 0.2818 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -1.2139 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 2.8594 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9688 -0.6550 -1.9668 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 3 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 4 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 10 30 1 0 13 31 1 0 M END