HMDB0259001 RDKit 3D Thiobarbital 25 25 0 0 0 0 0 0 0 0999 V2000 -1.0882 2.3267 0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 1.5043 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 0.0401 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 -0.5774 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 -2.0636 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 -0.5963 -1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -1.2282 -2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1502 -0.5147 -0.9375 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -0.3104 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 -0.2050 0.6830 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 -0.1931 1.4529 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -0.2854 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4065 -0.6457 2.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 2.3393 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 3.3730 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.0280 0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 1.8552 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 1.7037 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 -0.1323 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -0.4774 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -2.5374 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 -2.4979 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -2.2655 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -0.5970 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0621 -0.0430 2.4277 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 1 0 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 5 23 1 0 8 24 1 0 11 25 1 0 M END