HMDB0015497 RDKit 3D Oxybenzone 29 30 0 0 0 0 0 0 0 0999 V2000 -5.2213 -0.6972 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0736 -1.3147 -0.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 -0.7246 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -1.3058 -1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.7620 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 0.3476 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 0.9713 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9682 2.1480 0.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2679 0.4682 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 1.3593 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 0.9436 -0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8956 -0.3882 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 -1.2847 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 -0.8405 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 0.9171 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3175 2.0275 1.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 0.3963 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3935 0.3302 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 -1.2617 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0156 -0.6331 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 -2.1852 -1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -1.2591 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 2.4259 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 1.6994 -0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9212 -0.7147 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1899 -2.3313 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.6243 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1195 2.4690 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 0.8236 0.7438 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 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 6 15 1 0 15 16 1 0 15 17 2 0 17 3 1 0 14 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 16 28 1 0 17 29 1 0 M END