HMDB0304915 RDKit 3D 27 27 0 0 0 0 0 0 0 0999 V2000 5.0140 0.5206 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9832 0.2060 0.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 0.1217 0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -0.1632 1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -0.2763 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 -0.0977 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3073 -0.1270 -0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 -0.9430 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 -0.2491 1.1979 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4163 0.1319 0.8215 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.5888 1.5343 1.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -0.7782 1.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 0.1530 -0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0374 0.2058 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 0.3108 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 0.0059 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 1.6180 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 0.0501 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9928 -0.3073 2.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 -0.5490 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 1.0041 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 -0.4200 -1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 -1.8333 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 -1.3415 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 0.2858 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 0.3504 -2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0386 0.5873 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 6 14 1 0 14 15 2 0 15 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 M END