HMDB0040066 RDKit 3D 5-Butyl-4-ethylthiazole 26 26 0 0 0 0 0 0 0 0999 V2000 -3.8939 0.0848 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4452 0.0620 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.6505 0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 0.7336 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5132 -0.5739 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 -2.1626 0.0148 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -2.9866 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -2.0015 0.0482 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 -0.7834 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.3627 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 1.1851 -0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9337 0.5451 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -0.9542 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 0.6925 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4149 0.6280 -1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 -1.0274 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 0.0358 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 1.6505 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.4264 -0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3304 1.2249 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -4.0383 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8367 0.0015 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 1.0357 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 0.7044 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 1.2566 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 2.2480 -0.6793 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 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 9 5 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 11 25 1 0 11 26 1 0 M END