HMDB0259016 RDKit 3D THIOMETON 27 26 0 0 0 0 0 0 0 0999 V2000 4.7735 0.8573 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 1.3685 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0604 1.3386 -0.2946 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4978 -0.3323 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -0.8393 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 -1.7151 -0.0923 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 -0.4194 0.6949 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6137 0.4297 2.0239 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9673 0.6325 -0.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3748 1.8434 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -1.3394 1.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6885 -2.5474 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 1.6384 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 0.6019 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 -0.0513 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 0.8856 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 2.4448 -1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0047 -0.2838 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -1.0323 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.0171 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -1.5780 -1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 2.1711 -0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 2.6336 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 1.8005 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 -2.2912 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7158 -3.0661 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5286 -3.1673 0.9550 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 7 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 12 25 1 0 12 26 1 0 12 27 1 0 M END