HMDB0015285 RDKit 3D Thiamylal 35 35 0 0 0 0 0 0 0 0999 V2000 -2.9306 2.4415 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 1.9923 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 0.6196 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 -0.2009 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 0.3850 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8978 0.4316 -1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 -0.3149 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0884 0.3892 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 -0.2836 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -0.3148 1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3968 0.1102 2.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2655 -1.0034 1.6583 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -1.9991 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1592 -2.7981 1.0648 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0046 -2.2674 -0.3903 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 -1.5673 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 -2.0989 -1.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 3.4640 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 1.7912 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 2.6558 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 0.1131 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 0.6637 -1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 1.4507 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 -0.2421 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -0.0199 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 1.4437 -2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 -1.3966 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7192 -0.2303 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 0.4626 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0558 1.4391 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 0.4244 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6172 -1.1260 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0341 -0.6535 1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -0.7707 2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3064 -2.9904 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 4 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 16 4 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 9 33 1 0 12 34 1 0 15 35 1 0 M END