HMDB0243979 RDKit 3D 1-Octanethiol 27 26 0 0 0 0 0 0 0 0999 V2000 3.5523 0.4876 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 0.6902 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5189 -0.3831 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 -0.0651 -1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 -1.0748 -1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3789 -1.1349 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 0.2228 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 0.1640 1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6306 1.8375 1.6146 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4117 1.1849 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -0.5290 1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 0.7392 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 0.6943 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 1.6529 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 -1.3814 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 -0.4308 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -0.1820 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2881 0.9724 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 -0.7934 -2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0289 -2.0630 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8928 -1.4953 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -1.8280 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6578 0.5254 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 0.9821 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 -0.1168 2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -0.5807 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 1.9051 1.0370 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 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 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 M END