HMDB0033746 RDKit 3D Benzenethiol 13 13 0 0 0 0 0 0 0 0999 V2000 2.8389 -0.1042 -0.3500 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 -0.0398 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 1.1720 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 1.2471 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 0.0674 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -1.1461 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -1.2065 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3911 -0.1286 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 2.0931 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 2.1803 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 0.0923 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 -2.0574 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -2.1696 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 1 8 1 0 3 9 1 0 4 10 1 0 5 11 1 0 6 12 1 0 7 13 1 0 M END