HMDB0040031 RDKit 3D 2-Butylbenzothiazole 26 27 0 0 0 0 0 0 0 0999 V2000 -4.2825 -0.0223 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 -1.0034 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 -1.1008 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 0.2779 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.1780 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 1.1223 -0.3145 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 0.8467 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 1.7611 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 1.3272 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 0.0540 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 -0.8544 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 -0.4430 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 -1.1824 0.2324 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.4241 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6938 0.8326 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 -0.5235 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0999 -2.0163 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7719 -0.6874 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 -1.7610 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 -1.4853 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 0.5215 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 1.0440 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 2.7952 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 2.0438 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 -0.2669 0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.8816 0.7629 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 5 1 0 12 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 M END