HMDB0033096 RDKit 3D Apional 29 30 0 0 0 0 0 0 0 0999 V2000 -1.0394 3.6258 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 2.4370 -0.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 1.2078 -0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 1.0415 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 -0.1935 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 -0.3966 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 0.5344 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4574 0.2581 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 1.2140 0.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 -1.2817 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3577 -2.5358 0.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 -2.9001 1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 -1.1527 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 0.1167 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -0.0007 -0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 -1.2648 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 -2.0090 0.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 3.6214 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 3.7083 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 4.4764 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 1.9184 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.4075 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7191 1.5418 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 -0.7327 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4599 -3.2543 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -3.6558 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8152 -1.9861 2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 -1.6971 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -1.2333 1.1632 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 5 10 2 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 14 3 1 0 17 13 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 12 25 1 0 12 26 1 0 12 27 1 0 16 28 1 0 16 29 1 0 M END