HMDB0040153 RDKit 3D R-3-(Methylthio)-1-hexanol 25 24 0 0 0 0 0 0 0 0999 V2000 3.1684 -0.5930 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7823 -0.0553 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 -0.5346 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -0.0669 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 1.4186 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 1.9183 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 3.3131 -0.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 -0.7894 1.2000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8797 -2.5928 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5584 -0.0676 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -1.6715 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8698 -0.5086 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7974 1.0560 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -0.3250 -1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2261 -0.0505 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9276 -1.6261 0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -0.4493 -0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 1.8499 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 1.9045 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6917 1.6085 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4297 1.5045 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 3.6356 -0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 -2.9227 0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 -3.1585 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -2.7972 0.4343 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 4 8 1 0 8 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 M END