HMDB0259004 RDKit 3D Thiobutabarbital 31 31 0 0 0 0 0 0 0 0999 V2000 3.0767 -1.0867 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 -0.4329 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -0.5049 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 0.2361 1.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 -0.0109 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 1.4428 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5218 1.9824 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 -0.0496 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 0.6584 2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7285 -0.6947 0.6738 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9644 -1.4616 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 -2.2897 -0.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -1.4378 -1.4451 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -0.7965 -1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1221 -0.8946 -2.3839 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6935 -1.6571 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -0.3037 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 -1.7474 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.6365 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8931 -0.9179 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -1.5646 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 0.0439 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 -0.2207 2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 1.3159 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.5234 -1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 2.1188 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 2.8271 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 2.3586 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 1.2015 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 1.5723 2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2513 -1.8466 -2.7281 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 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 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 9 30 1 0 15 31 1 0 M END